#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gjk s LEU 292 N 0.00 0.60 -0.07 1.53 2.96 -1.26 -4.79 118.68 117.65 2gjk s LEU 292 Ca 0.00 0.34 -0.29 0.00 -0.22 0.00 0.00 54.13 53.96 2gjk s LEU 292 Cb 0.00 1.42 -0.07 0.00 0.50 0.00 0.00 46.19 48.03 2gjk s LEU 292 CO 0.00 -0.38 2.08 0.61 -1.32 0.00 0.00 176.35 177.34 2gjk n GLY 293 N 1.67 1.53 0.00 7.98 0.00 -1.26 -4.85 105.19 110.26 2gjk n GLY 293 Ca -0.19 0.80 0.14 0.00 0.00 0.00 0.00 46.02 46.77 2gjk n GLY 293 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2gjk n SER 294 N 9.28 0.03 -4.89 1.61 3.41 -1.26 -4.80 113.62 117.00 2gjk n SER 294 Ca 0.24 0.35 -0.32 0.00 -0.26 0.00 0.00 58.87 58.88 2gjk n SER 294 Cb 0.43 -0.42 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 2gjk n SER 294 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2gjk s ARG 295 N -2.93 3.69 -0.12 4.33 1.81 -1.26 -4.39 118.95 120.07 2gjk s ARG 295 Ca 0.16 0.05 -0.09 0.00 -1.72 0.00 0.00 55.73 54.13 2gjk s ARG 295 Cb 0.19 -2.77 0.04 0.00 -0.45 0.00 0.00 34.95 31.96 2gjk s ARG 295 CO 0.53 0.41 0.31 0.71 -0.68 0.00 0.00 175.30 176.58 2gjk s TYR 296 N -1.72 -0.39 0.08 -0.53 1.51 -0.31 -5.01 117.35 110.98 2gjk s TYR 296 Ca 0.43 0.91 -0.29 0.00 -1.01 0.00 0.00 57.07 57.11 2gjk s TYR 296 Cb -0.12 0.13 -0.17 0.00 -0.11 0.00 0.00 41.96 41.69 2gjk s TYR 296 CO 0.23 -0.22 1.66 1.49 -1.11 0.00 0.00 175.55 177.61 2gjk h GLU 297 N 6.39 -0.57 0.00 -0.62 4.81 -1.97 -3.45 114.58 119.18 2gjk h GLU 297 Ca -0.32 0.04 -0.16 0.00 -0.13 0.00 0.00 59.36 58.79 2gjk h GLU 297 Cb 1.18 0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.65 2gjk h GLU 297 CO 0.33 -0.38 -0.05 -0.40 -0.73 0.00 0.00 179.01 177.78 2gjk n ASP 298 N -5.35 -0.98 0.24 1.04 3.85 -1.26 -5.06 116.55 109.04 2gjk n ASP 298 Ca -0.11 -2.19 0.14 0.00 -0.71 0.00 0.00 54.79 51.92 2gjk n ASP 298 Cb 0.26 1.78 0.36 0.00 -1.35 0.00 0.00 41.12 42.17 2gjk n ASP 298 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2gjk h ALA 299 N 1.85 1.00 -0.43 2.12 0.00 -1.90 -2.66 119.26 119.24 2gjk h ALA 299 Ca -0.18 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 2gjk h ALA 299 Cb 0.77 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 2gjk h ALA 299 CO 0.24 0.00 0.10 1.88 0.00 0.00 0.00 179.25 181.48 2gjk h TYR 300 N 0.00 0.72 -0.35 0.00 -1.99 -1.91 -1.74 116.97 111.70 2gjk h TYR 300 Ca -0.00 -0.09 -0.14 0.00 2.00 0.00 0.00 58.73 60.51 2gjk h TYR 300 Cb 0.82 -0.20 -0.01 0.00 2.00 0.00 0.00 36.73 39.33 2gjk h TYR 300 CO 0.00 0.68 -0.33 0.37 -0.00 0.00 0.00 178.16 178.88 2gjk h GLN 301 N 0.55 0.78 -0.58 4.88 4.15 -1.95 -1.84 115.11 121.10 2gjk h GLN 301 Ca 0.13 -0.37 0.04 0.00 0.77 0.00 0.00 58.65 59.23 2gjk h GLN 301 Cb 0.32 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 27.96 2gjk h GLN 301 CO 0.00 0.99 0.32 -0.92 -1.93 0.00 0.00 178.83 177.29 2gjk h TYR 302 N 0.65 0.59 -0.55 3.99 3.20 -1.44 -2.30 116.97 121.11 2gjk h TYR 302 Ca 0.07 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.87 2gjk h TYR 302 Cb 0.86 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.93 2gjk h TYR 302 CO 0.05 0.30 0.00 0.37 -1.64 0.00 0.00 178.16 177.24 2gjk h GLN 303 N 0.61 0.95 0.00 1.82 4.15 -1.08 -2.35 115.11 119.21 2gjk h GLN 303 Ca 0.25 -0.28 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 2gjk h GLN 303 Cb 0.12 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 27.71 2gjk h GLN 303 CO -0.15 0.94 -0.09 -0.97 -1.93 0.00 0.00 178.83 176.62 2gjk h ASN 304 N 0.87 0.00 0.03 -0.69 -0.73 -0.95 0.11 115.58 114.23 2gjk h ASN 304 Ca 0.16 0.00 -0.19 0.00 1.87 0.00 0.00 56.30 58.14 2gjk h ASN 304 Cb 0.51 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.08 2gjk h ASN 304 CO 0.03 0.09 -1.03 0.40 -0.37 0.00 0.00 177.43 176.55 2gjk h ILE 305 N 0.00 1.14 0.06 2.57 5.03 -1.26 -3.40 117.51 121.65 2gjk h ILE 305 Ca -0.00 -2.28 -0.25 0.00 -0.12 0.00 0.00 64.86 62.21 2gjk h ILE 305 Cb 0.50 2.62 -0.02 0.00 -3.03 0.00 0.00 36.82 36.89 2gjk h ILE 305 CO 0.01 0.49 -1.24 -0.26 -0.68 0.00 0.00 178.15 176.48 2gjk h PHE 306 N -0.80 0.21 0.13 1.37 -1.00 -1.38 -3.32 116.94 112.16 2gjk h PHE 306 Ca -0.26 -0.16 0.02 0.00 2.81 0.00 0.00 57.97 60.38 2gjk h PHE 306 Cb 1.37 -0.01 -0.04 0.00 3.61 0.00 0.00 35.95 40.88 2gjk h PHE 306 CO 0.15 1.14 -0.29 0.78 -1.61 0.00 0.00 178.31 178.48 2gjk h GLY 307 N 2.44 -0.56 0.99 -1.45 0.00 -1.00 -1.52 103.07 101.99 2gjk h GLY 307 Ca -0.11 0.34 0.06 0.00 0.00 0.00 0.00 47.33 47.62 2gjk h GLY 307 CO 0.15 -0.24 0.52 -2.55 0.00 0.00 0.00 176.54 174.42 2gjk h PRO 308 N -0.52 0.86 -0.76 4.80 0.11 -1.77 -2.04 132.00 132.69 2gjk h PRO 308 Ca 0.03 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.09 2gjk h PRO 308 Cb 0.54 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 31.42 2gjk h PRO 308 CO -0.16 0.57 0.48 -0.07 -0.21 0.00 0.00 178.00 178.60 2gjk h LEU 309 N 0.89 0.89 -0.61 2.35 4.07 -1.54 -1.23 115.31 120.12 2gjk h LEU 309 Ca 0.34 -0.05 -0.13 0.00 0.08 0.00 0.00 57.88 58.12 2gjk h LEU 309 Cb 0.20 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.70 2gjk h LEU 309 CO -0.12 0.67 -0.27 0.58 -1.08 0.00 0.00 178.44 178.22 2gjk h VAL 310 N 1.03 1.27 -0.14 1.22 2.07 -0.96 -2.47 116.25 118.28 2gjk h VAL 310 Ca 0.27 -1.41 -0.08 0.00 0.82 0.00 0.00 66.70 66.30 2gjk h VAL 310 Cb -0.07 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 2gjk h VAL 310 CO -0.05 0.47 -0.27 0.50 0.02 0.00 0.00 177.57 178.23 2gjk h LYS 311 N 0.70 0.25 -0.54 1.57 1.63 -1.15 -0.78 116.57 118.24 2gjk h LYS 311 Ca 0.08 -0.09 -0.12 0.00 -0.85 0.00 0.00 60.65 59.68 2gjk h LYS 311 Cb 0.81 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.40 2gjk h LYS 311 CO 0.07 0.51 -0.11 1.25 -3.45 0.00 0.00 179.45 177.71 2gjk h LEU 312 N 0.22 1.04 -0.45 5.20 5.85 -0.97 -2.10 115.31 124.10 2gjk h LEU 312 Ca 0.03 -0.35 -0.17 0.00 0.84 0.00 0.00 57.88 58.23 2gjk h LEU 312 Cb 0.60 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.35 2gjk h LEU 312 CO 0.04 1.15 -0.62 -0.33 -0.34 0.00 0.00 178.44 178.34 2gjk h GLU 313 N 0.91 0.53 -0.50 1.25 4.39 -1.16 -2.76 114.58 117.24 2gjk h GLU 313 Ca 0.14 -0.37 -0.10 0.00 0.34 0.00 0.00 59.36 59.37 2gjk h GLU 313 Cb 0.68 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.38 2gjk h GLU 313 CO 0.05 0.99 -0.08 0.00 -1.16 0.00 0.00 179.01 178.81 2gjk h ALA 314 N 0.92 0.68 -0.26 3.43 0.00 -1.02 -2.86 119.26 120.15 2gjk h ALA 314 Ca -0.01 -0.33 -0.16 0.00 0.00 0.00 0.00 54.91 54.41 2gjk h ALA 314 Cb 1.18 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2gjk h ALA 314 CO 0.11 0.56 -0.49 -0.44 0.00 0.00 0.00 179.25 179.00 2gjk h ASP 315 N 0.79 0.79 -0.00 0.00 3.32 -1.43 -2.42 116.42 117.47 2gjk h ASP 315 Ca 0.13 -0.40 -0.00 0.00 0.02 0.00 0.00 57.03 56.78 2gjk h ASP 315 Cb 0.63 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.96 2gjk h ASP 315 CO 0.04 1.14 0.00 0.22 -1.72 0.00 0.00 179.24 178.92 2gjk h TYR 316 N 0.57 0.00 -0.01 4.55 5.03 -1.39 -2.09 116.97 123.64 2gjk h TYR 316 Ca 0.03 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.34 2gjk h TYR 316 Cb 1.05 -0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.33 2gjk h TYR 316 CO 0.05 0.23 -0.07 -0.40 -1.32 0.00 0.00 178.16 176.65 2gjk n ASP 317 N -4.98 1.14 -0.03 -2.11 5.68 -1.09 -1.82 116.55 113.34 2gjk n ASP 317 Ca -0.08 -1.21 -0.16 0.00 -0.50 0.00 0.00 54.79 52.85 2gjk n ASP 317 Cb 0.13 0.02 -0.08 0.00 -1.14 0.00 0.00 41.12 40.06 2gjk n ASP 317 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 2gjk h LYS 318 N 1.67 0.65 -0.52 0.11 3.64 -1.31 -2.36 116.57 118.44 2gjk h LYS 318 Ca 0.00 -0.51 -0.00 0.00 -1.27 0.00 0.00 60.65 58.87 2gjk h LYS 318 Cb 0.44 0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.34 2gjk h LYS 318 CO 0.00 1.13 0.32 -0.22 -2.27 0.00 0.00 179.45 178.41 2gjk h LYS 319 N 0.31 0.71 -0.33 1.90 1.63 -1.13 -2.59 116.57 117.07 2gjk h LYS 319 Ca -0.03 -0.06 -0.10 0.00 -0.85 0.00 0.00 60.65 59.61 2gjk h LYS 319 Cb 1.22 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 32.70 2gjk h LYS 319 CO 0.12 0.51 -0.18 1.25 -3.45 0.00 0.00 179.45 177.71 2gjk h LEU 320 N 0.70 0.73 -0.30 5.20 6.46 -1.42 -2.41 115.31 124.27 2gjk h LEU 320 Ca 0.19 -0.41 -0.02 0.00 -0.12 0.00 0.00 57.88 57.51 2gjk h LEU 320 Cb -0.02 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 39.69 2gjk h LEU 320 CO -0.04 0.98 0.09 0.11 -0.62 0.00 0.00 178.44 178.97 2gjk h LYS 321 N 0.47 0.47 0.00 1.25 1.79 -1.43 -2.64 116.57 116.49 2gjk h LYS 321 Ca 0.07 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 2gjk h LYS 321 Cb 0.71 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.30 2gjk h LYS 321 CO 0.05 0.52 0.00 0.39 -1.08 0.00 0.00 179.45 179.33 2gjk n GLU 322 N -4.69 0.08 -1.89 3.15 1.02 -0.98 -2.56 120.64 114.77 2gjk n GLU 322 Ca -0.02 0.18 -0.30 0.00 -0.02 0.00 0.00 57.16 57.00 2gjk n GLU 322 Cb 0.17 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 30.12 2gjk n GLU 322 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2gjk n SER 323 N -1.43 6.01 -2.79 1.62 7.64 -0.91 -4.63 113.62 119.13 2gjk n SER 323 Ca 0.06 -3.77 -0.02 0.00 1.01 0.00 0.00 58.87 56.15 2gjk n SER 323 Cb 0.18 -0.63 0.05 0.00 -1.01 0.00 0.00 64.21 62.79 2gjk n SER 323 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2gjk n GLN 324 N -0.71 1.81 -3.07 1.43 6.02 -1.06 -4.96 117.38 116.84 2gjk n GLN 324 Ca 0.50 -3.54 -0.40 0.00 -0.01 0.00 0.00 57.00 53.56 2gjk n GLN 324 Cb 0.73 -1.63 -0.05 0.00 1.02 0.00 0.00 30.24 30.31 2gjk n GLN 324 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2gjk s THR 325 N -3.83 4.95 0.19 5.09 2.01 -1.26 -4.69 115.64 118.09 2gjk s THR 325 Ca 0.28 1.44 0.07 0.00 0.31 0.00 0.00 61.69 63.79 2gjk s THR 325 Cb 0.33 -4.03 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 2gjk s THR 325 CO -0.03 0.31 0.07 -1.10 -0.69 0.00 0.00 174.62 173.18 2gjk s GLN 326 N 0.40 2.61 0.00 4.92 -1.52 -1.08 -5.03 119.66 119.95 2gjk s GLN 326 Ca 0.36 -1.05 0.00 0.00 -1.95 0.00 0.00 55.36 52.72 2gjk s GLN 326 Cb -0.18 -2.46 0.00 0.00 -0.22 0.00 0.00 33.01 30.15 2gjk s GLN 326 CO 0.19 0.45 0.00 -0.40 -0.25 0.00 0.00 175.29 175.28 2gjk n ASP 327 N -0.39 0.00 0.00 5.90 5.75 -1.26 -1.78 116.55 124.77 2gjk n ASP 327 Ca -0.09 0.00 0.01 0.00 -0.01 0.00 0.00 54.79 54.70 2gjk n ASP 327 Cb 0.56 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.69 2gjk n ASP 327 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2gjk n ASN 328 N -0.53 0.00 -4.81 -1.12 4.05 -1.26 -2.18 115.26 109.40 2gjk n ASN 328 Ca 0.00 -1.64 -0.33 0.00 0.45 0.00 0.00 54.58 53.06 2gjk n ASN 328 Cb 0.00 0.00 -0.02 0.00 1.23 0.00 0.00 39.78 40.99 2gjk n ASN 328 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 177.26 174.48 2gjk s ILE 329 N -2.00 4.04 -0.15 -1.44 -0.00 -1.26 -4.51 121.20 115.88 2gjk s ILE 329 Ca 0.02 1.05 0.00 0.00 -0.00 0.00 0.00 60.65 61.72 2gjk s ILE 329 Cb 0.01 -3.50 -0.01 0.00 -0.00 0.00 0.00 42.46 38.96 2gjk s ILE 329 CO 0.02 -0.49 -0.14 -0.89 -0.00 0.00 0.00 174.94 173.43 2gjk s THR 330 N -2.39 2.84 0.69 8.37 2.01 -1.26 -3.11 115.64 122.79 2gjk s THR 330 Ca 0.63 -0.72 -0.12 0.00 0.31 0.00 0.00 61.69 61.79 2gjk s THR 330 Cb -0.14 -2.20 0.17 0.00 0.01 0.00 0.00 72.50 70.34 2gjk s THR 330 CO 0.31 0.52 0.76 1.33 -0.69 0.00 0.00 174.62 176.84 2gjk n VAL 331 N 3.86 0.00 -2.95 3.82 0.24 -1.26 -4.52 118.33 117.52 2gjk n VAL 331 Ca -0.19 -0.46 -0.12 0.00 -2.04 0.00 0.00 64.34 61.53 2gjk n VAL 331 Cb 0.52 -1.42 -0.02 0.00 -1.47 0.00 0.00 33.84 31.45 2gjk n VAL 331 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2gjk n ARG 332 N -3.18 0.53 -2.00 7.34 1.74 -0.44 -4.78 116.66 115.87 2gjk n ARG 332 Ca 0.10 -2.36 -0.36 0.00 -0.77 0.00 0.00 57.85 54.46 2gjk n ARG 332 Cb 0.37 -1.48 0.04 0.00 -1.02 0.00 0.00 32.46 30.36 2gjk n ARG 332 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2gjk s TRP 333 N 0.41 2.37 0.00 -1.55 0.52 -1.26 -3.01 118.94 116.42 2gjk s TRP 333 Ca 0.32 1.51 0.00 0.00 0.02 0.00 0.00 56.10 57.95 2gjk s TRP 333 Cb 0.08 -3.50 0.00 0.00 -1.15 0.00 0.00 33.47 28.90 2gjk s TRP 333 CO -0.14 -2.26 0.00 -0.40 0.02 0.00 0.00 176.95 174.18 2gjk n ASP 334 N -1.60 0.00 -4.56 2.95 5.68 -1.25 -5.00 116.55 112.77 2gjk n ASP 334 Ca 0.14 0.00 -0.30 0.00 -0.50 0.00 0.00 54.79 54.13 2gjk n ASP 334 Cb 0.49 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.43 2gjk n ASP 334 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 2gjk s LEU 335 N 0.00 3.23 0.42 -2.12 1.43 -1.26 -2.08 118.68 118.29 2gjk s LEU 335 Ca 0.00 -0.91 -0.23 0.00 -1.03 0.00 0.00 54.13 51.95 2gjk s LEU 335 Cb 0.00 -2.56 -0.11 0.00 0.03 0.00 0.00 46.19 43.54 2gjk s LEU 335 CO 0.00 -2.53 0.81 0.61 0.23 0.00 0.00 176.35 175.47 2gjk n GLY 336 N 6.76 -0.77 0.26 -3.19 0.00 -0.84 -4.69 105.19 102.72 2gjk n GLY 336 Ca 0.39 0.10 0.08 0.00 0.00 0.00 0.00 46.02 46.59 2gjk n GLY 336 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2gjk h LEU 337 N 1.17 0.00 -2.82 0.99 -0.00 -1.92 0.18 115.31 112.91 2gjk h LEU 337 Ca -0.42 0.00 -0.20 0.00 -0.00 0.00 0.00 57.88 57.26 2gjk h LEU 337 Cb 1.37 0.00 -0.11 0.00 -0.00 0.00 0.00 40.66 41.91 2gjk h LEU 337 CO 0.54 0.00 0.25 -3.20 -0.00 0.00 0.00 178.44 176.04 2gjk n ASN 338 N -2.41 3.65 -1.98 -0.43 5.15 -1.26 -4.89 115.26 113.10 2gjk n ASN 338 Ca -0.01 -2.63 -0.12 0.00 -0.60 0.00 0.00 54.58 51.22 2gjk n ASN 338 Cb 0.53 -0.68 -0.03 0.00 -0.53 0.00 0.00 39.78 39.08 2gjk n ASN 338 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2gjk n LYS 339 N -0.02 -1.83 -4.69 1.20 4.01 0.62 -4.86 118.16 112.59 2gjk n LYS 339 Ca 0.22 0.64 -0.25 0.00 -0.51 0.00 0.00 58.31 58.41 2gjk n LYS 339 Cb 0.89 -5.08 -0.16 0.00 -0.51 0.00 0.00 35.03 30.17 2gjk n LYS 339 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 2gjk s LYS 340 N -4.17 1.77 0.11 1.97 2.47 -1.17 -4.95 119.74 115.77 2gjk s LYS 340 Ca 0.00 -0.50 -0.31 0.00 -1.56 0.00 0.00 55.97 53.60 2gjk s LYS 340 Cb 0.00 -1.48 -0.09 0.00 -1.46 0.00 0.00 37.83 34.80 2gjk s LYS 340 CO 0.00 0.11 1.68 0.50 0.16 0.00 0.00 175.35 177.80 2gjk s ARG 341 N 0.41 4.18 -0.26 4.03 6.06 -1.26 -1.99 118.95 130.13 2gjk s ARG 341 Ca -0.11 2.41 -0.01 0.00 -2.50 0.00 0.00 55.73 55.53 2gjk s ARG 341 Cb -0.14 -3.48 0.08 0.00 0.06 0.00 0.00 34.95 31.46 2gjk s ARG 341 CO 0.03 -0.74 0.04 -1.50 -2.50 0.00 0.00 175.30 170.64 2gjk s ILE 342 N 2.30 1.02 0.14 4.11 2.07 -0.89 -2.43 121.20 127.53 2gjk s ILE 342 Ca 0.75 -1.19 -0.21 0.00 -1.41 0.00 0.00 60.65 58.59 2gjk s ILE 342 Cb -0.42 -1.59 -0.07 0.00 0.13 0.00 0.00 42.46 40.50 2gjk s ILE 342 CO 0.33 -0.41 0.67 0.00 -1.91 0.00 0.00 174.94 173.62 2gjk s ALA 343 N 1.59 3.50 0.22 1.50 0.00 -0.89 -3.94 121.76 123.73 2gjk s ALA 343 Ca 0.03 0.16 0.08 0.00 0.00 0.00 0.00 51.96 52.23 2gjk s ALA 343 Cb -0.18 -2.77 -0.04 0.00 0.00 0.00 0.00 23.12 20.13 2gjk s ALA 343 CO -0.15 0.35 0.03 0.71 0.00 0.00 0.00 175.76 176.70 2gjk s TYR 344 N -1.25 2.83 -0.14 0.00 2.02 -1.16 -1.52 117.35 118.12 2gjk s TYR 344 Ca 0.35 -0.16 -0.30 0.00 -0.37 0.00 0.00 57.07 56.58 2gjk s TYR 344 Cb -0.20 -1.31 0.13 0.00 -0.40 0.00 0.00 41.96 40.18 2gjk s TYR 344 CO 0.22 0.56 1.04 -0.59 -1.57 0.00 0.00 175.55 175.21 2gjk s PHE 345 N -2.01 -0.30 -0.10 2.71 -0.12 -0.74 -1.32 117.98 116.09 2gjk s PHE 345 Ca 0.30 0.40 -0.00 0.00 -0.05 0.00 0.00 56.93 57.58 2gjk s PHE 345 Cb -0.08 0.48 -0.03 0.00 -0.63 0.00 0.00 43.02 42.77 2gjk s PHE 345 CO 0.20 -0.33 -0.08 0.99 -0.05 0.00 0.00 175.22 175.95 2gjk s THR 346 N -1.73 3.58 0.15 -4.49 2.01 -1.26 -1.55 115.64 112.36 2gjk s THR 346 Ca 0.02 -0.50 0.09 0.00 0.31 0.00 0.00 61.69 61.61 2gjk s THR 346 Cb -0.01 -2.50 -0.04 0.00 0.01 0.00 0.00 72.50 69.97 2gjk s THR 346 CO -0.03 0.56 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.56 2gjk s LEU 347 N -0.27 2.83 0.23 4.42 1.02 -1.26 -4.81 118.68 120.84 2gjk s LEU 347 Ca 0.04 -0.57 -0.31 0.00 0.02 0.00 0.00 54.13 53.30 2gjk s LEU 347 Cb -0.13 -1.59 -0.13 0.00 0.02 0.00 0.00 46.19 44.36 2gjk s LEU 347 CO 0.03 0.14 1.41 -2.65 0.02 0.00 0.00 176.35 175.30 2gjk n PRO 348 N 0.43 2.02 -1.87 1.29 -0.02 -1.26 -4.87 135.00 130.71 2gjk n PRO 348 Ca -0.13 0.72 -0.42 0.00 -2.02 0.00 0.00 63.50 61.65 2gjk n PRO 348 Cb 0.54 -2.38 -0.03 0.00 -0.02 0.00 0.00 33.50 31.61 2gjk n PRO 348 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2gjk s LYS 349 N -0.32 3.06 -0.17 -0.52 3.01 -0.62 -4.80 119.74 119.39 2gjk s LYS 349 Ca 0.69 1.45 -0.00 0.00 -1.01 0.00 0.00 55.97 57.10 2gjk s LYS 349 Cb -0.66 -4.30 0.04 0.00 -1.01 0.00 0.00 37.83 31.90 2gjk s LYS 349 CO 0.49 -2.18 -0.07 0.99 0.51 0.00 0.00 175.35 175.09 2gjk s THR 350 N 8.06 1.24 -0.95 2.17 2.01 -1.26 -2.36 115.64 124.56 2gjk s THR 350 Ca 0.85 -0.68 -0.20 0.00 0.31 0.00 0.00 61.69 61.97 2gjk s THR 350 Cb -0.23 -1.36 0.11 0.00 0.01 0.00 0.00 72.50 71.03 2gjk s THR 350 CO 0.31 0.17 1.19 1.51 -0.69 0.00 0.00 174.62 177.12 2gjk s ASP 351 N 1.58 6.60 0.42 3.53 3.84 -1.26 -4.95 116.67 126.44 2gjk s ASP 351 Ca 0.01 -1.92 0.05 0.00 -0.00 0.00 0.00 52.55 50.69 2gjk s ASP 351 Cb -0.15 -2.43 0.05 0.00 -1.38 0.00 0.00 42.92 39.01 2gjk s ASP 351 CO -0.08 -1.15 0.42 -0.24 -0.00 0.00 0.00 175.17 174.12 2gjk n SER 352 N 7.01 2.04 0.00 2.11 2.88 -1.26 -5.00 113.62 121.40 2gjk n SER 352 Ca 0.26 -2.33 -0.00 0.00 -1.33 0.00 0.00 58.87 55.47 2gjk n SER 352 Cb 0.49 -0.14 -0.11 0.00 -0.75 0.00 0.00 64.21 63.70 2gjk n SER 352 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2gjk n ASP 353 N -2.11 0.59 -3.75 -3.46 9.92 -1.26 -4.47 116.55 112.01 2gjk n ASP 353 Ca 0.04 0.26 -0.42 0.00 -0.53 0.00 0.00 54.79 54.14 2gjk n ASP 353 Cb 0.46 0.57 0.00 0.00 -0.64 0.00 0.00 41.12 41.52 2gjk n ASP 353 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 2gjk n MET 354 N -2.77 3.36 -2.17 -1.24 2.81 -1.26 -4.97 117.12 110.88 2gjk n MET 354 Ca -0.13 -3.05 -0.42 0.00 -1.81 0.00 0.00 57.70 52.29 2gjk n MET 354 Cb 0.85 -3.05 -0.03 0.00 -0.71 0.00 0.00 33.22 30.28 2gjk n MET 354 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2gjk s ARG 355 N 1.57 4.29 -0.04 0.03 1.81 -1.26 -4.93 118.95 120.42 2gjk s ARG 355 Ca 0.45 2.05 -0.30 0.00 -1.72 0.00 0.00 55.73 56.22 2gjk s ARG 355 Cb 0.13 -3.45 -0.07 0.00 -0.45 0.00 0.00 34.95 31.11 2gjk s ARG 355 CO -0.04 -0.54 1.87 -1.17 -0.68 0.00 0.00 175.30 174.74 2gjk s LEU 356 N 1.92 4.25 0.33 2.53 2.96 -1.26 -4.97 118.68 124.44 2gjk s LEU 356 Ca 0.65 2.37 0.08 0.00 -0.22 0.00 0.00 54.13 57.02 2gjk s LEU 356 Cb -0.35 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 42.78 2gjk s LEU 356 CO 0.29 -1.13 0.20 -0.04 -1.32 0.00 0.00 176.35 174.34 2gjk s MET 357 N 4.56 2.52 -0.19 1.98 -1.94 -1.26 -4.96 119.30 120.02 2gjk s MET 357 Ca 0.84 -1.44 -0.29 0.00 -1.71 0.00 0.00 55.69 53.09 2gjk s MET 357 Cb -0.37 -2.30 -0.03 0.00 2.01 0.00 0.00 34.83 34.13 2gjk s MET 357 CO 0.36 0.12 1.65 -0.65 -0.01 0.00 0.00 175.02 176.49 2gjk s GLN 358 N -3.90 3.85 0.00 2.03 -0.21 -1.26 -2.88 119.66 117.29 2gjk s GLN 358 Ca 0.39 1.78 0.00 0.00 0.02 0.00 0.00 55.36 57.55 2gjk s GLN 358 Cb -0.04 -4.04 0.00 0.00 1.00 0.00 0.00 33.01 29.93 2gjk s GLN 358 CO 0.24 -1.23 0.00 0.41 -2.12 0.00 0.00 175.29 172.59 2gjk n GLY 359 N 4.59 1.53 3.77 3.09 0.00 -0.24 -4.52 105.19 113.41 2gjk n GLY 359 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 2gjk n GLY 359 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2gjk s ASP 360 N -1.10 6.37 -0.09 1.61 1.11 -1.14 -4.46 116.67 118.97 2gjk s ASP 360 Ca 0.00 3.00 -0.29 0.00 0.18 0.00 0.00 52.55 55.44 2gjk s ASP 360 Cb 0.00 -2.65 -0.02 0.00 1.07 0.00 0.00 42.92 41.32 2gjk s ASP 360 CO 0.00 -0.88 0.96 -0.70 1.18 0.00 0.00 175.17 175.73 2gjk s GLU 361 N -1.38 4.44 0.01 8.23 2.12 -1.26 -1.43 118.70 129.42 2gjk s GLU 361 Ca 0.57 1.33 0.08 0.00 0.36 0.00 0.00 54.97 57.31 2gjk s GLU 361 Cb -0.47 -3.52 -0.02 0.00 0.26 0.00 0.00 34.13 30.38 2gjk s GLU 361 CO 0.56 -0.23 -0.25 0.42 -0.54 0.00 0.00 175.26 175.21 2gjk s ILE 362 N 1.73 2.03 -0.36 -3.70 1.01 -0.11 -1.62 121.20 120.18 2gjk s ILE 362 Ca 0.47 -1.21 0.00 0.00 0.00 0.00 0.00 60.65 59.91 2gjk s ILE 362 Cb -0.19 -1.71 0.10 0.00 0.01 0.00 0.00 42.46 40.67 2gjk s ILE 362 CO 0.20 0.47 0.11 0.00 0.00 0.00 0.00 174.94 175.71 2gjk s LEU 364 N 1.06 0.88 -0.30 0.00 1.43 0.14 -2.13 118.68 119.76 2gjk s LEU 364 Ca 0.07 1.35 -0.07 0.00 -1.03 0.00 0.00 54.13 54.45 2gjk s LEU 364 Cb -0.21 -3.29 0.18 0.00 0.03 0.00 0.00 46.19 42.90 2gjk s LEU 364 CO -0.05 -4.01 0.80 -0.60 0.23 0.00 0.00 176.35 172.72 2gjk s ARG 365 N -4.63 0.40 -0.06 1.70 3.52 -1.15 -3.32 118.95 115.41 2gjk s ARG 365 Ca 0.68 0.76 -0.30 0.00 -0.13 0.00 0.00 55.73 56.73 2gjk s ARG 365 Cb -0.23 0.43 -0.03 0.00 -1.56 0.00 0.00 34.95 33.56 2gjk s ARG 365 CO 0.63 -0.40 1.18 -0.47 -0.81 0.00 0.00 175.30 175.43 2gjk s TYR 366 N 2.87 3.21 0.36 5.12 6.14 -1.22 -1.47 117.35 132.35 2gjk s TYR 366 Ca 0.09 1.25 0.07 0.00 0.64 0.00 0.00 57.07 59.12 2gjk s TYR 366 Cb -0.12 -3.40 -0.03 0.00 0.42 0.00 0.00 41.96 38.83 2gjk s TYR 366 CO -0.17 -1.22 0.25 1.17 0.64 0.00 0.00 175.55 176.22 2gjk n LYS 367 N 5.22 0.45 0.00 4.97 4.81 -1.17 -3.89 118.16 128.55 2gjk n LYS 367 Ca 0.11 -3.40 0.00 0.00 -0.87 0.00 0.00 58.31 54.15 2gjk n LYS 367 Cb 0.46 2.55 0.00 0.00 0.02 0.00 0.00 35.03 38.06 2gjk n LYS 367 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2gjk n GLY 368 N -0.70 0.05 3.56 3.14 0.00 -1.26 -4.73 105.19 105.25 2gjk n GLY 368 Ca 0.04 -1.91 -0.41 0.00 0.00 0.00 0.00 46.02 43.75 2gjk n GLY 368 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2gjk s ASP 369 N -0.95 6.15 0.00 1.61 -0.00 -1.26 -4.43 116.67 117.79 2gjk s ASP 369 Ca 0.00 -0.26 0.00 0.00 -0.00 0.00 0.00 52.55 52.29 2gjk s ASP 369 Cb 0.00 -2.56 0.00 0.00 -0.00 0.00 0.00 42.92 40.36 2gjk s ASP 369 CO 0.00 -1.81 0.00 -0.11 -0.00 0.00 0.00 175.17 173.25 2gjk n LEU 370 N 9.45 0.00 -3.44 1.23 7.94 -1.26 -5.13 117.00 125.80 2gjk n LEU 370 Ca 0.06 0.00 -0.32 0.00 -1.11 0.00 0.00 56.01 54.64 2gjk n LEU 370 Cb 0.49 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.40 2gjk n LEU 370 CO 0.71 0.00 0.45 0.00 -1.11 0.00 0.00 177.39 177.44 2gjk n ALA 371 N 0.00 4.66 0.51 1.96 0.00 -1.26 -4.58 120.51 121.80 2gjk n ALA 371 Ca 0.00 -4.75 0.00 0.00 0.00 0.00 0.00 53.44 48.69 2gjk n ALA 371 Cb 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.17 2gjk n ALA 371 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2gjk n PRO 372 N 0.56 0.84 -1.62 0.00 -0.02 -1.26 -4.99 135.00 128.52 2gjk n PRO 372 Ca 0.31 0.00 -0.50 0.00 -2.02 0.00 0.00 63.50 61.29 2gjk n PRO 372 Cb 0.37 -1.08 -0.06 0.00 -0.02 0.00 0.00 33.50 32.72 2gjk n PRO 372 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2gjk n LEU 373 N 0.84 2.88 0.00 2.45 0.00 -1.26 -4.85 117.00 117.06 2gjk n LEU 373 Ca 0.00 0.78 0.00 0.00 0.00 0.00 0.00 56.01 56.79 2gjk n LEU 373 Cb 0.42 -1.31 0.00 0.00 0.00 0.00 0.00 43.42 42.53 2gjk n LEU 373 CO 0.00 -0.35 0.00 -2.67 0.00 0.00 0.00 177.39 174.37 2gjk n TRP 374 N 7.66 -0.30 -4.26 1.96 -0.00 -1.25 -5.01 117.44 116.23 2gjk n TRP 374 Ca 0.29 0.00 -0.17 0.00 -0.00 0.00 0.00 57.50 57.62 2gjk n TRP 374 Cb 0.26 0.00 -0.14 0.00 -0.00 0.00 0.00 31.31 31.42 2gjk n TRP 374 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 177.69 177.90 2gjk s LYS 375 N -1.15 0.61 -0.02 -2.67 2.20 -1.26 -3.45 119.74 113.99 2gjk s LYS 375 Ca 0.00 -0.32 -0.00 0.00 -0.36 0.00 0.00 55.97 55.29 2gjk s LYS 375 Cb 0.00 -0.57 0.03 0.00 -1.51 0.00 0.00 37.83 35.78 2gjk s LYS 375 CO 0.00 0.15 0.03 0.20 -0.36 0.00 0.00 175.35 175.38 2gjk s GLY 376 N -0.31 0.13 -0.09 5.54 0.00 -1.21 -4.96 107.32 106.41 2gjk s GLY 376 Ca 0.02 0.27 -0.03 0.00 0.00 0.00 0.00 44.72 44.98 2gjk s GLY 376 CO -0.00 0.82 0.04 -0.42 0.00 0.00 0.00 173.10 173.54 2gjk s ILE 377 N 1.28 4.64 0.18 0.90 1.09 -1.26 -0.68 121.20 127.35 2gjk s ILE 377 Ca -0.06 -0.13 -0.02 0.00 -1.10 0.00 0.00 60.65 59.34 2gjk s ILE 377 Cb -0.13 -2.98 0.01 0.00 -1.06 0.00 0.00 42.46 38.31 2gjk s ILE 377 CO -0.03 0.61 0.27 0.61 -0.10 0.00 0.00 174.94 176.29 2gjk n GLY 378 N 2.08 2.42 3.06 6.18 0.00 -0.38 -2.37 105.19 116.18 2gjk n GLY 378 Ca -0.19 -1.42 -0.15 0.00 0.00 0.00 0.00 46.02 44.26 2gjk n GLY 378 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2gjk s HIS 379 N -4.32 0.74 -0.23 1.61 -3.43 -1.10 -0.93 115.29 107.62 2gjk s HIS 379 Ca 0.13 -0.41 -0.29 0.00 -0.80 0.00 0.00 55.06 53.69 2gjk s HIS 379 Cb -0.01 -0.44 -0.03 0.00 -1.43 0.00 0.00 32.58 30.67 2gjk s HIS 379 CO 0.09 -0.05 1.64 0.08 -2.00 0.00 0.00 174.74 174.50 2gjk s VAL 380 N -1.11 3.67 -0.81 -5.38 1.01 -0.52 -0.70 120.40 116.56 2gjk s VAL 380 Ca -0.06 0.74 0.24 0.00 0.00 0.00 0.00 61.98 62.90 2gjk s VAL 380 Cb -0.08 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 2gjk s VAL 380 CO 0.01 -0.31 1.23 0.00 0.00 0.00 0.00 175.10 176.02 2gjk n ILE 381 N 6.52 0.12 -3.61 2.22 3.06 -0.67 -1.08 119.36 125.92 2gjk n ILE 381 Ca 0.19 -0.13 -0.12 0.00 -2.50 0.00 0.00 62.75 60.20 2gjk n ILE 381 Cb 0.45 0.23 -0.07 0.00 0.54 0.00 0.00 39.64 40.80 2gjk n ILE 381 CO 0.00 0.00 0.00 -0.75 -2.50 0.00 0.00 176.55 173.30 2gjk s LYS 382 N -3.09 0.66 0.32 9.51 2.20 -1.15 -4.89 119.74 123.30 2gjk s LYS 382 Ca 0.07 0.58 0.07 0.00 -0.36 0.00 0.00 55.97 56.33 2gjk s LYS 382 Cb 0.16 0.32 -0.06 0.00 -1.51 0.00 0.00 37.83 36.73 2gjk s LYS 382 CO 0.75 -0.12 -0.05 0.14 -0.36 0.00 0.00 175.35 175.71 2gjk s VAL 383 N -0.13 1.80 -0.13 4.02 -7.23 -1.26 -1.99 120.40 115.49 2gjk s VAL 383 Ca 0.00 -2.12 -0.38 0.00 -1.81 0.00 0.00 61.98 57.67 2gjk s VAL 383 Cb -0.04 -2.61 -0.15 0.00 0.56 0.00 0.00 36.38 34.14 2gjk s VAL 383 CO -0.01 -0.20 1.66 -2.65 -0.31 0.00 0.00 175.10 173.59 2gjk n PRO 384 N -0.70 1.40 -0.37 4.82 -0.02 -1.26 -4.74 135.00 134.13 2gjk n PRO 384 Ca -0.05 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 2gjk n PRO 384 Cb 0.64 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 2gjk n PRO 384 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2gjk n ASP 385 N 4.78 0.00 0.09 2.55 3.85 -1.12 -4.97 116.55 121.73 2gjk n ASP 385 Ca 0.23 -0.33 0.09 0.00 -0.71 0.00 0.00 54.79 54.07 2gjk n ASP 385 Cb 0.18 0.00 0.39 0.00 -1.35 0.00 0.00 41.12 40.35 2gjk n ASP 385 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 2gjk n ASN 386 N -0.42 0.38 -2.42 -1.12 5.03 -1.26 -2.62 115.26 112.83 2gjk n ASN 386 Ca 0.00 0.63 -0.34 0.00 0.87 0.00 0.00 54.58 55.73 2gjk n ASN 386 Cb 0.00 -0.70 0.06 0.00 -1.02 0.00 0.00 39.78 38.12 2gjk n ASN 386 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 2gjk n TYR 387 N -1.96 3.13 0.00 3.10 4.02 -1.26 -4.87 117.16 119.32 2gjk n TYR 387 Ca 0.01 -2.80 0.00 0.00 -0.01 0.00 0.00 57.90 55.10 2gjk n TYR 387 Cb 0.12 -1.22 0.00 0.00 -0.02 0.00 0.00 39.34 38.23 2gjk n TYR 387 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2gjk n GLY 388 N -0.80 -0.62 2.84 2.72 0.00 -1.08 -4.81 105.19 103.45 2gjk n GLY 388 Ca 0.58 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 2gjk n GLY 388 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2gjk n ASP 389 N -0.99 6.78 -3.98 1.61 5.75 -1.26 -2.80 116.55 121.65 2gjk n ASP 389 Ca 0.00 -3.50 -0.25 0.00 -0.01 0.00 0.00 54.79 51.03 2gjk n ASP 389 Cb 0.00 -1.25 -0.17 0.00 -1.03 0.00 0.00 41.12 38.68 2gjk n ASP 389 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 2gjk s GLU 390 N -3.18 1.64 -0.17 0.11 2.12 -1.26 -4.80 118.70 113.15 2gjk s GLU 390 Ca 0.35 -0.36 -0.26 0.00 0.36 0.00 0.00 54.97 55.06 2gjk s GLU 390 Cb 0.11 -1.47 -0.01 0.00 0.26 0.00 0.00 34.13 33.02 2gjk s GLU 390 CO 0.01 -0.08 0.88 0.42 -0.54 0.00 0.00 175.26 175.96 2gjk s ILE 391 N 1.02 4.84 0.03 -3.70 1.01 -0.59 -4.28 121.20 119.52 2gjk s ILE 391 Ca -0.08 1.74 0.01 0.00 0.00 0.00 0.00 60.65 62.32 2gjk s ILE 391 Cb -0.15 -4.18 -0.04 0.00 0.01 0.00 0.00 42.46 38.10 2gjk s ILE 391 CO -0.01 -0.01 0.06 0.00 0.00 0.00 0.00 174.94 174.99 2gjk s ALA 392 N 2.31 3.51 0.05 9.38 0.00 -0.84 -1.80 121.76 134.38 2gjk s ALA 392 Ca 0.40 -0.94 0.05 0.00 0.00 0.00 0.00 51.96 51.47 2gjk s ALA 392 Cb -0.16 -1.48 -0.02 0.00 0.00 0.00 0.00 23.12 21.45 2gjk s ALA 392 CO 0.12 0.70 -0.14 0.96 0.00 0.00 0.00 175.76 177.40 2gjk s ILE 393 N -1.24 1.11 -0.44 0.00 -4.36 -0.57 -1.67 121.20 114.03 2gjk s ILE 393 Ca 0.24 -1.12 -0.06 0.00 -0.26 0.00 0.00 60.65 59.45 2gjk s ILE 393 Cb -0.12 -1.03 0.11 0.00 1.25 0.00 0.00 42.46 42.67 2gjk s ILE 393 CO 0.16 -0.09 0.28 -0.70 0.24 0.00 0.00 174.94 174.82 2gjk s GLU 394 N -1.38 2.25 0.38 0.37 2.12 0.13 -2.10 118.70 120.46 2gjk s GLU 394 Ca 0.00 -1.79 -0.25 0.00 0.36 0.00 0.00 54.97 53.30 2gjk s GLU 394 Cb -0.09 -3.76 -0.09 0.00 0.26 0.00 0.00 34.13 30.46 2gjk s GLU 394 CO 0.02 -1.13 1.07 -0.48 -0.54 0.00 0.00 175.26 174.19 2gjk s LEU 395 N 1.26 4.21 0.02 2.70 2.34 -1.02 -2.71 118.68 125.48 2gjk s LEU 395 Ca 0.07 2.10 -0.26 0.00 0.06 0.00 0.00 54.13 56.10 2gjk s LEU 395 Cb -0.25 -4.08 -0.17 0.00 -0.56 0.00 0.00 46.19 41.14 2gjk s LEU 395 CO -0.02 -0.45 1.31 0.03 -1.06 0.00 0.00 176.35 176.15 2gjk h ARG 396 N 2.72 -0.51 -6.14 1.48 3.08 -1.81 -3.43 114.38 109.77 2gjk h ARG 396 Ca -0.48 0.03 -0.59 0.00 0.07 0.00 0.00 59.98 59.02 2gjk h ARG 396 Cb 1.22 0.12 -0.04 0.00 0.08 0.00 0.00 29.97 31.34 2gjk h ARG 396 CO 0.63 -0.21 -0.20 0.45 -1.07 0.00 0.00 179.97 179.57 2gjk s SER 397 N -4.91 6.73 -0.46 7.04 0.15 -1.26 -5.02 113.70 115.97 2gjk s SER 397 Ca -0.15 0.90 0.03 0.00 0.70 0.00 0.00 55.95 57.43 2gjk s SER 397 Cb 0.02 -2.22 0.15 0.00 -1.71 0.00 0.00 66.02 62.26 2gjk s SER 397 CO 0.55 0.19 0.30 -0.94 1.20 0.00 0.00 173.24 174.53 2gjk s SER 398 N -1.60 3.16 0.19 5.45 1.04 -1.26 -4.91 113.70 115.78 2gjk s SER 398 Ca 0.32 -2.84 0.00 0.00 0.48 0.00 0.00 55.95 53.91 2gjk s SER 398 Cb -0.15 -0.87 0.00 0.00 0.10 0.00 0.00 66.02 65.10 2gjk s SER 398 CO 0.17 -0.22 0.00 0.55 0.98 0.00 0.00 173.24 174.72 2gjk n VAL 399 N 3.22 0.00 0.45 5.02 3.14 -1.26 -4.97 118.33 123.93 2gjk n VAL 399 Ca 0.16 0.00 0.13 0.00 -2.96 0.00 0.00 64.34 61.67 2gjk n VAL 399 Cb 0.38 0.00 0.47 0.00 -1.06 0.00 0.00 33.84 33.63 2gjk n VAL 399 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 2gjk h GLY 400 N 0.00 0.00 -6.24 7.55 0.00 -1.98 -3.44 103.07 98.96 2gjk h GLY 400 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 2gjk h GLY 400 CO 0.00 0.00 1.18 0.00 0.00 0.00 0.00 176.54 177.72 2gjk s ALA 401 N -3.28 3.18 0.11 3.60 0.00 -1.26 -4.97 121.76 119.15 2gjk s ALA 401 Ca 0.06 0.49 -0.31 0.00 0.00 0.00 0.00 51.96 52.20 2gjk s ALA 401 Cb 0.10 -3.90 -0.08 0.00 0.00 0.00 0.00 23.12 19.24 2gjk s ALA 401 CO 0.49 -2.11 1.45 -2.14 0.00 0.00 0.00 175.76 173.44 2gjk s PRO 402 N 4.95 4.28 -0.18 0.00 0.02 -1.26 -4.90 135.00 137.92 2gjk s PRO 402 Ca 0.76 2.15 0.04 0.00 0.02 0.00 0.00 61.00 63.97 2gjk s PRO 402 Cb -0.26 -3.28 0.38 0.00 0.02 0.00 0.00 34.50 31.37 2gjk s PRO 402 CO 0.31 -0.51 1.32 0.28 -0.33 0.00 0.00 177.00 178.07 2gjk n VAL 403 N 4.06 1.80 -2.75 3.83 0.31 -1.26 -4.73 118.33 119.59 2gjk n VAL 403 Ca 0.12 -0.86 -0.42 0.00 -0.01 0.00 0.00 64.34 63.17 2gjk n VAL 403 Cb 0.41 -0.57 -0.03 0.00 -0.91 0.00 0.00 33.84 32.75 2gjk n VAL 403 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2gjk s GLU 404 N -1.79 3.56 -0.92 5.55 8.01 -1.26 -4.91 118.70 126.94 2gjk s GLU 404 Ca 0.29 -1.39 -0.26 0.00 0.01 0.00 0.00 54.97 53.62 2gjk s GLU 404 Cb 0.23 -5.05 -0.14 0.00 -4.31 0.00 0.00 34.13 24.86 2gjk s GLU 404 CO 0.07 -1.98 2.21 0.08 0.01 0.00 0.00 175.26 175.65 2gjk s VAL 405 N 3.84 3.15 -0.15 2.63 1.01 -1.26 -4.84 120.40 124.78 2gjk s VAL 405 Ca 0.38 -0.17 -0.05 0.00 0.00 0.00 0.00 61.98 62.15 2gjk s VAL 405 Cb -0.03 -3.58 0.06 0.00 0.00 0.00 0.00 36.38 32.83 2gjk s VAL 405 CO -0.08 -0.30 0.09 -0.89 0.00 0.00 0.00 175.10 173.92 2gjk s THR 406 N 14.08 -0.08 0.00 3.92 2.01 -1.26 -4.93 115.64 129.37 2gjk s THR 406 Ca 0.83 -0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.74 2gjk s THR 406 Cb -0.09 -0.53 0.00 0.00 0.01 0.00 0.00 72.50 71.90 2gjk s THR 406 CO 0.09 -0.22 0.00 1.41 -0.69 0.00 0.00 174.62 175.21 2gjk n HIS 407 N 5.28 0.00 -2.99 4.92 8.25 -1.26 -4.48 115.22 124.94 2gjk n HIS 407 Ca -0.07 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.26 2gjk n HIS 407 Cb 0.49 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.64 2gjk n HIS 407 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2gjk n ASN 408 N 0.00 -4.36 -2.29 0.41 5.15 -1.20 -4.79 115.26 108.17 2gjk n ASN 408 Ca 0.00 -0.26 0.00 0.00 -0.60 0.00 0.00 54.58 53.72 2gjk n ASN 408 Cb 0.00 -3.02 0.00 0.00 -0.53 0.00 0.00 39.78 36.23 2gjk n ASN 408 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 2gjk n PHE 409 N -3.92 -2.49 -3.27 1.20 3.01 -0.92 -3.04 117.46 108.03 2gjk n PHE 409 Ca -0.01 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.38 2gjk n PHE 409 Cb 0.54 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.97 2gjk n PHE 409 CO 0.00 0.00 0.00 -1.14 1.01 0.00 0.00 176.76 176.63 2gjk s GLN 410 N -1.79 0.47 -0.36 -1.08 0.74 -0.54 -4.39 119.66 112.71 2gjk s GLN 410 Ca 0.00 0.16 -0.29 0.00 0.05 0.00 0.00 55.36 55.28 2gjk s GLN 410 Cb 0.00 -0.19 0.01 0.00 1.10 0.00 0.00 33.01 33.94 2gjk s GLN 410 CO 0.00 -1.05 1.19 0.08 -0.55 0.00 0.00 175.29 174.96 2gjk s VAL 411 N 2.53 4.26 -0.10 1.34 1.01 -0.73 -2.95 120.40 125.76 2gjk s VAL 411 Ca 0.10 1.40 -0.01 0.00 0.00 0.00 0.00 61.98 63.48 2gjk s VAL 411 Cb -0.12 -4.36 -0.03 0.00 0.00 0.00 0.00 36.38 31.88 2gjk s VAL 411 CO -0.27 -0.63 -0.06 -1.81 0.00 0.00 0.00 175.10 172.33 2gjk s ASP 412 N 2.41 4.67 -0.56 3.32 1.01 -0.91 -2.65 116.67 123.98 2gjk s ASP 412 Ca 0.51 -0.06 -0.22 0.00 0.71 0.00 0.00 52.55 53.49 2gjk s ASP 412 Cb -0.13 -1.37 0.06 0.00 1.01 0.00 0.00 42.92 42.49 2gjk s ASP 412 CO 0.23 0.30 0.82 -0.36 0.21 0.00 0.00 175.17 176.38 2gjk s PHE 413 N -0.44 2.87 -0.03 4.23 0.40 -1.26 -1.08 117.98 122.67 2gjk s PHE 413 Ca 0.07 -0.35 -0.30 0.00 -0.60 0.00 0.00 56.93 55.75 2gjk s PHE 413 Cb -0.12 -3.93 -0.05 0.00 0.51 0.00 0.00 43.02 39.43 2gjk s PHE 413 CO 0.02 -1.30 1.48 0.08 0.70 0.00 0.00 175.22 176.21 2gjk s VAL 414 N 3.45 3.68 0.22 -0.44 1.01 -0.64 -4.48 120.40 123.21 2gjk s VAL 414 Ca 0.22 0.98 -0.30 0.00 0.00 0.00 0.00 61.98 62.89 2gjk s VAL 414 Cb -0.16 -3.63 -0.09 0.00 0.00 0.00 0.00 36.38 32.50 2gjk s VAL 414 CO 0.14 -0.04 0.97 0.86 0.00 0.00 0.00 175.10 177.04 2gjk s TRP 415 N 3.06 3.89 -0.11 5.22 -0.00 -1.26 -4.50 118.94 125.24 2gjk s TRP 415 Ca 0.66 1.86 0.03 0.00 -0.00 0.00 0.00 56.10 58.65 2gjk s TRP 415 Cb -0.31 -3.05 0.01 0.00 -0.00 0.00 0.00 33.47 30.11 2gjk s TRP 415 CO 0.26 0.23 -0.21 0.15 -0.00 0.00 0.00 176.95 177.38 2gjk s LYS 416 N -1.00 2.80 0.00 5.86 -0.14 -1.26 -5.01 119.74 120.99 2gjk s LYS 416 Ca 0.43 -0.78 0.30 0.00 -1.36 0.00 0.00 55.97 54.56 2gjk s LYS 416 Cb -0.27 -2.22 1.53 0.00 -1.68 0.00 0.00 37.83 35.19 2gjk s LYS 416 CO 0.33 0.05 2.03 -1.13 -0.76 0.00 0.00 175.35 175.88 2gjk n SER 417 N 3.87 0.21 -0.33 2.83 3.41 -1.26 -4.55 113.62 117.80 2gjk n SER 417 Ca -0.20 -0.59 -0.09 0.00 -0.26 0.00 0.00 58.87 57.74 2gjk n SER 417 Cb 0.52 -0.13 -0.08 0.00 -0.26 0.00 0.00 64.21 64.27 2gjk n SER 417 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2gjk n THR 418 N -1.03 -0.53 0.04 6.66 -1.04 -1.26 -0.65 114.28 116.46 2gjk n THR 418 Ca 0.17 1.91 -0.02 0.00 -2.04 0.00 0.00 64.05 64.08 2gjk n THR 418 Cb 0.22 -2.36 0.25 0.00 -1.82 0.00 0.00 70.33 66.61 2gjk n THR 418 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 2gjk h SER 419 N 0.00 0.42 0.64 8.00 4.64 -1.94 -1.89 113.55 123.41 2gjk h SER 419 Ca 0.13 -0.13 -0.18 0.00 -0.47 0.00 0.00 61.79 61.13 2gjk h SER 419 Cb 0.32 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.28 2gjk h SER 419 CO -0.73 0.64 -0.83 -0.26 -0.87 0.00 0.00 176.83 174.77 2gjk h PHE 420 N 0.38 0.20 -0.37 4.77 -1.00 -1.62 -2.55 116.94 116.75 2gjk h PHE 420 Ca 0.06 -0.11 -0.09 0.00 2.81 0.00 0.00 57.97 60.64 2gjk h PHE 420 Cb 0.59 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 40.11 2gjk h PHE 420 CO 0.02 0.90 -0.15 -0.44 -1.61 0.00 0.00 178.31 177.03 2gjk h ASP 421 N 0.08 0.67 0.01 2.17 3.32 -0.52 -1.71 116.42 120.43 2gjk h ASP 421 Ca -0.03 -0.20 -0.18 0.00 0.02 0.00 0.00 57.03 56.64 2gjk h ASP 421 Cb 1.45 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 40.82 2gjk h ASP 421 CO 0.12 0.83 -0.64 0.03 -1.72 0.00 0.00 179.24 177.86 2gjk h ARG 422 N 0.61 0.61 -0.29 3.56 3.08 -1.33 -0.78 114.38 119.84 2gjk h ARG 422 Ca 0.10 -0.43 -0.01 0.00 0.07 0.00 0.00 59.98 59.71 2gjk h ARG 422 Cb 0.60 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 2gjk h ARG 422 CO 0.04 1.05 0.13 0.52 -1.07 0.00 0.00 179.97 180.64 2gjk h MET 423 N 0.45 0.43 -0.47 0.04 2.86 -1.25 -1.42 114.93 115.57 2gjk h MET 423 Ca -0.01 -0.07 -0.08 0.00 -2.06 0.00 0.00 59.70 57.48 2gjk h MET 423 Cb 1.21 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.78 2gjk h MET 423 CO 0.12 0.42 -0.01 1.96 1.06 0.00 0.00 176.91 180.47 2gjk h GLN 424 N 0.34 0.83 -0.77 1.72 1.08 -1.27 -2.43 115.11 114.60 2gjk h GLN 424 Ca 0.10 -0.27 0.03 0.00 -1.45 0.00 0.00 58.65 57.06 2gjk h GLN 424 Cb 0.14 -0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 27.45 2gjk h GLN 424 CO -0.01 0.89 0.51 1.03 -0.95 0.00 0.00 178.83 180.29 2gjk h SER 425 N 0.68 0.82 0.23 1.46 0.87 -1.06 -1.71 113.55 114.84 2gjk h SER 425 Ca 0.13 -0.01 -0.17 0.00 -1.23 0.00 0.00 61.79 60.51 2gjk h SER 425 Cb 0.51 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.28 2gjk h SER 425 CO 0.03 0.57 -0.65 0.00 -0.53 0.00 0.00 176.83 176.24 2gjk h ALA 426 N 1.55 0.69 -0.27 6.23 0.00 -0.96 -0.85 119.26 125.66 2gjk h ALA 426 Ca 0.31 -0.57 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 2gjk h ALA 426 Cb 0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2gjk h ALA 426 CO -0.09 0.73 -0.21 -0.07 0.00 0.00 0.00 179.25 179.61 2gjk h LEU 427 N 0.28 0.49 -0.37 0.00 3.38 -1.03 -1.67 115.31 116.40 2gjk h LEU 427 Ca -0.01 -0.15 -0.12 0.00 0.09 0.00 0.00 57.88 57.68 2gjk h LEU 427 Cb 1.20 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 2gjk h LEU 427 CO 0.11 0.71 -0.23 0.50 0.09 0.00 0.00 178.44 179.62 2gjk h LYS 428 N 0.44 0.81 -0.49 1.13 3.64 -1.03 -2.74 116.57 118.33 2gjk h LYS 428 Ca 0.07 -0.38 -0.08 0.00 -1.27 0.00 0.00 60.65 58.99 2gjk h LYS 428 Cb 0.62 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.41 2gjk h LYS 428 CO 0.04 1.01 -0.03 1.15 -2.27 0.00 0.00 179.45 179.35 2gjk h THR 429 N 0.61 1.25 -0.65 1.00 2.02 -0.98 -0.49 112.91 115.67 2gjk h THR 429 Ca 0.08 -1.07 -0.03 0.00 0.77 0.00 0.00 66.41 66.16 2gjk h THR 429 Cb 0.79 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 68.07 2gjk h THR 429 CO 0.06 0.38 0.30 0.15 0.37 0.00 0.00 175.52 176.79 2gjk h PHE 430 N 0.78 0.95 -0.03 3.16 3.57 -1.28 0.01 116.94 124.09 2gjk h PHE 430 Ca 0.14 -0.05 -0.21 0.00 3.53 0.00 0.00 57.97 61.39 2gjk h PHE 430 Cb 0.51 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 38.95 2gjk h PHE 430 CO 0.03 0.72 -0.84 0.00 -2.23 0.00 0.00 178.31 175.99 2gjk h ALA 431 N 1.14 0.48 0.00 2.41 0.00 -1.20 -3.40 119.26 118.68 2gjk h ALA 431 Ca 0.22 -0.67 -0.28 0.00 0.00 0.00 0.00 54.91 54.19 2gjk h ALA 431 Cb 0.14 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 2gjk h ALA 431 CO -0.03 0.80 -2.05 0.28 0.00 0.00 0.00 179.25 178.25 2gjk n VAL 432 N -3.78 1.06 -2.72 0.00 0.31 -0.22 -4.73 118.33 108.26 2gjk n VAL 432 Ca -0.05 -0.40 -0.42 0.00 -0.01 0.00 0.00 64.34 63.45 2gjk n VAL 432 Cb 0.78 -1.17 -0.03 0.00 -0.91 0.00 0.00 33.84 32.51 2gjk n VAL 432 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2gjk s ASP 433 N -5.81 7.09 0.21 4.52 -1.08 -0.02 -4.94 116.67 116.64 2gjk s ASP 433 Ca -0.25 1.36 -0.02 0.00 -0.52 0.00 0.00 52.55 53.12 2gjk s ASP 433 Cb 0.06 -2.52 0.18 0.00 -1.46 0.00 0.00 42.92 39.18 2gjk s ASP 433 CO 0.42 -0.55 1.56 -0.33 0.52 0.00 0.00 175.17 176.80 2gjk h GLU 434 N 7.35 0.56 -0.64 4.34 3.07 -1.91 -2.99 114.58 124.37 2gjk h GLU 434 Ca -0.24 -0.31 0.00 0.00 -0.50 0.00 0.00 59.36 58.31 2gjk h GLU 434 Cb 1.10 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.02 2gjk h GLU 434 CO 0.91 0.90 0.00 0.25 -1.40 0.00 0.00 179.01 179.67 2gjk n THR 435 N -4.01 1.95 -0.31 1.13 -2.24 -1.26 -4.42 114.28 105.13 2gjk n THR 435 Ca -0.02 -1.13 -0.04 0.00 -2.27 0.00 0.00 64.05 60.59 2gjk n THR 435 Cb 0.54 -0.07 0.08 0.00 -2.10 0.00 0.00 70.33 68.79 2gjk n THR 435 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2gjk h SER 436 N 3.65 0.99 -5.43 3.42 4.64 -1.75 -3.36 113.55 115.71 2gjk h SER 436 Ca 0.00 -0.05 -0.33 0.00 -0.47 0.00 0.00 61.79 60.94 2gjk h SER 436 Cb 1.52 -0.25 -0.14 0.00 -0.31 0.00 0.00 62.40 63.22 2gjk h SER 436 CO 0.30 0.75 -0.58 0.68 -0.87 0.00 0.00 176.83 177.11 2gjk s VAL 437 N -6.05 0.10 -1.53 0.95 -7.23 -1.26 -0.81 120.40 104.57 2gjk s VAL 437 Ca -0.13 -2.00 0.30 0.00 -1.81 0.00 0.00 61.98 58.34 2gjk s VAL 437 Cb 0.16 -2.51 0.58 0.00 0.56 0.00 0.00 36.38 35.17 2gjk s VAL 437 CO 0.80 0.00 2.05 -1.54 -0.31 0.00 0.00 175.10 176.10 2gjk n SER 438 N -0.69 0.00 0.00 4.85 3.41 -0.69 -4.84 113.62 115.66 2gjk n SER 438 Ca 0.03 -0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.36 2gjk n SER 438 Cb 0.65 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 2gjk n SER 438 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2gjk n GLY 439 N 1.16 2.52 0.17 5.00 0.00 -1.26 -4.63 105.19 108.15 2gjk n GLY 439 Ca 0.16 -0.55 -0.14 0.00 0.00 0.00 0.00 46.02 45.49 2gjk n GLY 439 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2gjk h TYR 440 N 0.00 -0.32 -0.41 1.61 3.20 -1.98 -2.25 116.97 116.83 2gjk h TYR 440 Ca 0.00 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.82 2gjk h TYR 440 Cb 0.00 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 2gjk h TYR 440 CO 0.00 -0.10 0.08 0.82 -1.64 0.00 0.00 178.16 177.33 2gjk h ILE 441 N -0.48 1.19 -0.11 1.81 2.04 -1.91 -0.57 117.51 119.48 2gjk h ILE 441 Ca -0.03 -0.69 0.04 0.00 1.00 0.00 0.00 64.86 65.17 2gjk h ILE 441 Cb 0.36 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 2gjk h ILE 441 CO 0.06 0.25 -0.16 0.22 0.00 0.00 0.00 178.15 178.52 2gjk h TYR 442 N 0.59 -0.41 -0.48 1.37 3.20 -1.87 0.17 116.97 119.54 2gjk h TYR 442 Ca 0.13 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.92 2gjk h TYR 442 Cb 0.25 0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.70 2gjk h TYR 442 CO 0.01 -0.23 -0.11 0.45 -1.64 0.00 0.00 178.16 176.65 2gjk h HIS 443 N -0.21 1.03 -0.12 -3.82 3.86 -0.95 -2.76 115.15 112.19 2gjk h HIS 443 Ca 0.09 -0.22 -0.12 0.00 -1.16 0.00 0.00 60.37 58.96 2gjk h HIS 443 Cb 0.33 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.54 2gjk h HIS 443 CO -0.26 1.00 -0.44 -0.22 0.86 0.00 0.00 177.93 178.86 2gjk h LYS 444 N 0.77 0.28 -0.01 2.45 1.63 -0.94 -0.88 116.57 119.87 2gjk h LYS 444 Ca 0.12 -0.14 -0.14 0.00 -0.85 0.00 0.00 60.65 59.64 2gjk h LYS 444 Cb 0.66 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.27 2gjk h LYS 444 CO 0.05 0.67 -0.63 -0.07 -3.45 0.00 0.00 179.45 176.02 2gjk h LEU 445 N 0.23 0.05 -0.50 5.20 3.38 -0.91 -3.01 115.31 119.75 2gjk h LEU 445 Ca 0.02 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2gjk h LEU 445 Cb 0.87 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.61 2gjk h LEU 445 CO 0.07 0.67 -0.13 0.18 0.09 0.00 0.00 178.44 179.31 2gjk n LEU 446 N -3.80 0.91 0.00 1.67 4.77 -1.05 -4.93 117.00 114.57 2gjk n LEU 446 Ca -0.01 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 2gjk n LEU 446 Cb 0.63 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 2gjk n LEU 446 CO 0.43 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 2gjk n GLY 447 N 1.26 0.52 3.81 -0.72 0.00 -0.94 -1.16 105.19 107.97 2gjk n GLY 447 Ca 0.15 -0.71 -0.32 0.00 0.00 0.00 0.00 46.02 45.15 2gjk n GLY 447 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2gjk s HIS 448 N -2.00 3.07 -0.11 1.61 3.76 -0.38 -4.90 115.29 116.34 2gjk s HIS 448 Ca 0.00 1.45 -0.30 0.00 -0.15 0.00 0.00 55.06 56.07 2gjk s HIS 448 Cb 0.00 -2.92 -0.01 0.00 1.11 0.00 0.00 32.58 30.76 2gjk s HIS 448 CO 0.00 -1.20 1.04 -2.00 -0.85 0.00 0.00 174.74 171.73 2gjk s GLU 449 N -4.74 4.39 -0.03 1.40 2.12 -1.26 -4.61 118.70 115.97 2gjk s GLU 449 Ca 0.60 1.44 0.02 0.00 0.36 0.00 0.00 54.97 57.39 2gjk s GLU 449 Cb -0.15 -3.56 0.01 0.00 0.26 0.00 0.00 34.13 30.69 2gjk s GLU 449 CO 0.49 -0.37 -0.09 0.08 -0.54 0.00 0.00 175.26 174.83 2gjk s VAL 450 N 2.17 0.83 0.25 3.70 1.01 -1.26 -5.05 120.40 122.05 2gjk s VAL 450 Ca 0.49 -0.37 -0.30 0.00 0.00 0.00 0.00 61.98 61.80 2gjk s VAL 450 Cb -0.19 -0.74 -0.10 0.00 0.00 0.00 0.00 36.38 35.34 2gjk s VAL 450 CO 0.17 0.26 1.51 -0.70 0.00 0.00 0.00 175.10 176.35 2gjk s GLU 451 N 0.30 4.21 0.47 2.72 2.12 -1.26 -4.94 118.70 122.32 2gjk s GLU 451 Ca -0.05 2.40 -0.25 0.00 0.36 0.00 0.00 54.97 57.43 2gjk s GLU 451 Cb -0.10 -3.09 -0.08 0.00 0.26 0.00 0.00 34.13 31.12 2gjk s GLU 451 CO 0.01 -0.52 1.42 -0.25 -0.54 0.00 0.00 175.26 175.38 2gjk n ASP 452 N 2.59 3.23 -4.36 -1.70 8.00 -1.26 -5.02 116.55 118.03 2gjk n ASP 452 Ca 0.09 1.10 -0.32 0.00 0.71 0.00 0.00 54.79 56.36 2gjk n ASP 452 Cb 0.39 -1.60 -0.15 0.00 -0.02 0.00 0.00 41.12 39.74 2gjk n ASP 452 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2gjk s VAL 453 N -1.21 2.60 -0.38 2.53 1.01 -1.26 -5.10 120.40 118.59 2gjk s VAL 453 Ca 0.63 -0.87 -0.13 0.00 0.00 0.00 0.00 61.98 61.61 2gjk s VAL 453 Cb -0.44 -2.00 0.02 0.00 0.00 0.00 0.00 36.38 33.95 2gjk s VAL 453 CO 0.56 0.57 0.24 -0.63 0.00 0.00 0.00 175.10 175.84 2gjk s ILE 454 N -0.27 4.91 -0.26 2.22 1.09 -1.26 -4.43 121.20 123.20 2gjk s ILE 454 Ca 0.01 -0.67 -0.29 0.00 -1.10 0.00 0.00 60.65 58.60 2gjk s ILE 454 Cb -0.13 -3.69 -0.02 0.00 -1.06 0.00 0.00 42.46 37.56 2gjk s ILE 454 CO 0.03 -0.21 1.72 -0.63 -0.10 0.00 0.00 174.94 175.76 2gjk s ILE 455 N 1.63 3.55 0.09 2.92 -1.09 -0.52 -4.98 121.20 122.80 2gjk s ILE 455 Ca 0.04 0.60 -0.30 0.00 -2.23 0.00 0.00 60.65 58.76 2gjk s ILE 455 Cb -0.19 -3.64 -0.05 0.00 -1.58 0.00 0.00 42.46 37.00 2gjk s ILE 455 CO 0.08 -0.33 1.05 -0.75 -1.23 0.00 0.00 174.94 173.76 2gjk s LYS 456 N 5.16 4.58 -0.09 2.79 2.47 -1.26 -4.49 119.74 128.89 2gjk s LYS 456 Ca 0.77 1.57 -0.30 0.00 -1.56 0.00 0.00 55.97 56.45 2gjk s LYS 456 Cb -0.25 -3.37 0.10 0.00 -1.46 0.00 0.00 37.83 32.86 2gjk s LYS 456 CO 0.32 0.01 0.86 0.00 0.16 0.00 0.00 175.35 176.70 2gjk s GLN 458 N -1.50 3.52 0.79 0.00 0.74 -1.26 -5.00 119.66 116.95 2gjk s GLN 458 Ca -0.04 0.94 -0.10 0.00 0.05 0.00 0.00 55.36 56.21 2gjk s GLN 458 Cb -0.00 -4.05 0.07 0.00 1.10 0.00 0.00 33.01 30.12 2gjk s GLN 458 CO 0.02 -1.63 1.10 -0.51 -0.55 0.00 0.00 175.29 173.72 2gjk s LEU 459 N 5.65 3.01 0.69 3.68 1.43 -1.26 -5.03 118.68 126.85 2gjk s LEU 459 Ca 0.62 1.88 -0.11 0.00 -1.03 0.00 0.00 54.13 55.49 2gjk s LEU 459 Cb -0.14 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.56 2gjk s LEU 459 CO 0.32 -2.20 1.06 -2.84 0.23 0.00 0.00 176.35 172.93 2gjk s PRO 460 N -4.86 2.96 0.08 1.29 0.02 -1.26 -4.98 135.00 128.25 2gjk s PRO 460 Ca 0.62 0.98 -0.21 0.00 0.02 0.00 0.00 61.00 62.41 2gjk s PRO 460 Cb -0.18 -1.99 -0.10 0.00 0.02 0.00 0.00 34.50 32.25 2gjk s PRO 460 CO 0.56 -1.09 1.62 0.87 -0.33 0.00 0.00 177.00 178.64 2gjk h LYS 461 N -0.63 0.24 -5.41 5.54 1.57 -2.01 -3.43 116.57 112.44 2gjk h LYS 461 Ca -0.44 -0.04 -0.52 0.00 -1.87 0.00 0.00 60.65 57.77 2gjk h LYS 461 Cb 1.21 -0.04 -0.30 0.00 0.08 0.00 0.00 32.23 33.19 2gjk h LYS 461 CO 0.57 0.33 -0.82 1.03 -0.57 0.00 0.00 179.45 179.98 2gjk s ARG 462 N -5.54 1.37 0.19 3.15 0.52 -1.26 -5.07 118.95 112.32 2gjk s ARG 462 Ca -0.14 -0.56 0.19 0.00 -0.52 0.00 0.00 55.73 54.70 2gjk s ARG 462 Cb 0.07 -1.29 0.00 0.00 0.52 0.00 0.00 34.95 34.25 2gjk s ARG 462 CO 0.70 0.31 1.11 0.74 0.02 0.00 0.00 175.30 178.18 2gjk h PHE 463 N 5.88 0.00 -3.54 -0.53 -1.00 -1.95 -3.46 116.94 112.35 2gjk h PHE 463 Ca -0.35 0.00 -0.54 0.00 2.81 0.00 0.00 57.97 59.89 2gjk h PHE 463 Cb 1.16 0.00 0.10 0.00 3.61 0.00 0.00 35.95 40.82 2gjk h PHE 463 CO 0.41 0.32 0.77 2.41 -1.61 0.00 0.00 178.31 180.61 2gjk n THR 464 N -2.92 1.60 -3.56 -1.55 -1.04 -1.26 -4.96 114.28 100.58 2gjk n THR 464 Ca -0.03 -0.40 -0.33 0.00 -2.04 0.00 0.00 64.05 61.25 2gjk n THR 464 Cb 0.70 -1.89 -0.05 0.00 -1.82 0.00 0.00 70.33 67.27 2gjk n THR 464 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2gjk s ALA 465 N -0.66 3.71 0.07 2.41 0.00 -1.26 -5.04 121.76 120.99 2gjk s ALA 465 Ca 0.58 -0.39 -0.21 0.00 0.00 0.00 0.00 51.96 51.94 2gjk s ALA 465 Cb -0.51 -2.28 -0.08 0.00 0.00 0.00 0.00 23.12 20.26 2gjk s ALA 465 CO 0.57 0.58 1.34 0.37 0.00 0.00 0.00 175.76 178.62 2gjk h GLN 466 N 3.27 -0.36 -0.61 0.00 -0.00 -1.92 -2.85 115.11 112.64 2gjk h GLN 466 Ca -0.48 0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.20 2gjk h GLN 466 Cb 1.18 0.08 0.00 0.00 0.00 0.00 0.00 27.48 28.74 2gjk h GLN 466 CO 0.68 -0.24 0.00 0.41 0.00 0.00 0.00 178.83 179.68 2gjk n GLY 467 N -1.27 1.35 3.51 2.39 0.00 -1.25 -4.85 105.19 105.06 2gjk n GLY 467 Ca -0.04 -0.33 -0.25 0.00 0.00 0.00 0.00 46.02 45.40 2gjk n GLY 467 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gjk s LEU 468 N -1.03 2.66 0.68 0.99 1.43 -1.08 -4.76 118.68 117.58 2gjk s LEU 468 Ca 0.20 -1.13 -0.17 0.00 -1.03 0.00 0.00 54.13 52.00 2gjk s LEU 468 Cb 0.13 -1.02 -0.04 0.00 0.03 0.00 0.00 46.19 45.29 2gjk s LEU 468 CO 0.09 -0.11 0.63 -2.65 0.23 0.00 0.00 176.35 174.53 2gjk n PRO 469 N -0.71 0.43 -2.06 1.29 -0.02 -1.26 -4.72 135.00 127.94 2gjk n PRO 469 Ca -0.05 0.19 -0.42 0.00 -2.02 0.00 0.00 63.50 61.19 2gjk n PRO 469 Cb 0.62 -1.88 -0.03 0.00 -0.02 0.00 0.00 33.50 32.19 2gjk n PRO 469 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2gjk s ASP 470 N -1.41 6.71 0.54 2.55 1.01 -1.26 -4.70 116.67 120.11 2gjk s ASP 470 Ca 0.68 2.23 -0.20 0.00 0.71 0.00 0.00 52.55 55.97 2gjk s ASP 470 Cb -0.38 -2.55 -0.06 0.00 1.01 0.00 0.00 42.92 40.95 2gjk s ASP 470 CO 0.55 -0.86 1.16 -0.76 0.21 0.00 0.00 175.17 175.47 2gjk s LEU 471 N 3.33 3.79 1.33 1.23 1.02 -1.26 -5.05 118.68 123.07 2gjk s LEU 471 Ca 0.70 2.26 -0.19 0.00 0.02 0.00 0.00 54.13 56.92 2gjk s LEU 471 Cb -0.34 -4.51 0.34 0.00 0.02 0.00 0.00 46.19 41.70 2gjk s LEU 471 CO 0.29 -1.24 0.97 0.20 0.02 0.00 0.00 176.35 176.59 2gjk s ASN 472 N -1.63 -0.30 0.20 2.29 -0.87 -1.26 -4.78 114.94 108.57 2gjk s ASN 472 Ca 0.72 1.03 -0.05 0.00 -1.57 0.00 0.00 52.86 52.98 2gjk s ASN 472 Cb -0.26 -1.51 0.13 0.00 -0.02 0.00 0.00 41.25 39.58 2gjk s ASN 472 CO 0.30 -4.92 1.57 0.45 -2.57 0.00 0.00 177.10 171.93 2gjk h HIS 473 N -3.12 0.88 -0.57 2.20 3.86 -1.98 -1.08 115.15 115.34 2gjk h HIS 473 Ca -0.49 -0.24 -0.09 0.00 -1.16 0.00 0.00 60.37 58.39 2gjk h HIS 473 Cb 1.34 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 29.59 2gjk h HIS 473 CO -2.09 0.98 -0.01 0.77 0.86 0.00 0.00 177.93 178.44 2gjk h SER 474 N 0.63 0.99 0.21 2.45 0.02 -1.94 -0.00 113.55 115.92 2gjk h SER 474 Ca 0.07 -0.31 -0.22 0.00 -0.84 0.00 0.00 61.79 60.48 2gjk h SER 474 Cb 0.87 -0.27 0.01 0.00 0.14 0.00 0.00 62.40 63.14 2gjk h SER 474 CO 0.08 1.06 -0.90 1.56 -1.14 0.00 0.00 176.83 177.49 2gjk h GLN 475 N 0.90 0.50 -0.78 3.45 4.20 -1.92 -1.44 115.11 120.02 2gjk h GLN 475 Ca 0.16 -0.50 -0.04 0.00 0.06 0.00 0.00 58.65 58.33 2gjk h GLN 475 Cb 0.56 0.13 -0.04 0.00 0.30 0.00 0.00 27.48 28.43 2gjk h GLN 475 CO 0.03 1.13 0.34 0.28 -0.67 0.00 0.00 178.83 179.94 2gjk h VAL 476 N 0.30 1.26 -0.48 -0.54 2.07 -1.11 -1.51 116.25 116.25 2gjk h VAL 476 Ca -0.08 -0.77 -0.04 0.00 0.82 0.00 0.00 66.70 66.63 2gjk h VAL 476 Cb 1.53 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 2gjk h VAL 476 CO 0.16 0.32 0.15 0.22 0.02 0.00 0.00 177.57 178.44 2gjk h TYR 477 N 1.12 0.77 -0.95 1.57 3.20 -0.97 -1.94 116.97 119.77 2gjk h TYR 477 Ca 0.26 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 62.05 2gjk h TYR 477 Cb 0.18 -0.22 -0.05 0.00 1.54 0.00 0.00 36.73 38.18 2gjk h TYR 477 CO 0.02 0.68 0.57 0.00 -1.64 0.00 0.00 178.16 177.78 2gjk h ALA 478 N 1.00 1.21 -0.12 1.82 0.00 -0.76 -0.18 119.26 122.23 2gjk h ALA 478 Ca 0.15 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 2gjk h ALA 478 Cb 0.27 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2gjk h ALA 478 CO -0.00 0.67 -0.26 0.28 0.00 0.00 0.00 179.25 179.93 2gjk h VAL 479 N 1.31 1.38 -0.78 0.00 2.07 -1.22 -1.93 116.25 117.08 2gjk h VAL 479 Ca 0.34 -1.56 -0.02 0.00 0.82 0.00 0.00 66.70 66.29 2gjk h VAL 479 Cb -0.05 2.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.78 2gjk h VAL 479 CO -0.06 0.46 0.42 0.50 0.02 0.00 0.00 177.57 178.91 2gjk h LYS 480 N -0.04 1.09 -0.14 1.57 3.64 -1.14 -2.31 116.57 119.24 2gjk h LYS 480 Ca -0.00 -0.13 -0.17 0.00 -1.27 0.00 0.00 60.65 59.08 2gjk h LYS 480 Cb 0.86 -0.21 0.01 0.00 -0.41 0.00 0.00 32.23 32.48 2gjk h LYS 480 CO 0.06 0.81 -0.56 1.15 -2.27 0.00 0.00 179.45 178.64 2gjk h THR 481 N 1.08 1.33 -0.61 1.00 2.02 -1.07 -3.29 112.91 113.37 2gjk h THR 481 Ca 0.27 -1.83 -0.06 0.00 0.77 0.00 0.00 66.41 65.56 2gjk h THR 481 Cb 0.04 2.07 -0.03 0.00 -1.74 0.00 0.00 68.15 68.49 2gjk h THR 481 CO -0.04 0.56 0.15 0.58 0.37 0.00 0.00 175.52 177.14 2gjk h VAL 482 N 0.28 1.24 0.00 3.16 2.07 -1.24 -2.76 116.25 119.01 2gjk h VAL 482 Ca -0.03 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.61 2gjk h VAL 482 Cb 1.20 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 2gjk h VAL 482 CO 0.12 0.33 0.00 -0.07 0.02 0.00 0.00 177.57 177.97 2gjk h LEU 483 N 0.92 0.00 -1.67 2.57 3.38 -1.49 -2.93 115.31 116.08 2gjk h LEU 483 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2gjk h LEU 483 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2gjk h LEU 483 CO -0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 2gjk n GLN 484 N -3.04 0.98 -4.36 1.13 6.02 -1.06 -4.85 117.38 112.21 2gjk n GLN 484 Ca -0.01 -1.34 -0.34 0.00 -0.01 0.00 0.00 57.00 55.31 2gjk n GLN 484 Cb 0.21 -1.24 -0.09 0.00 1.02 0.00 0.00 30.24 30.14 2gjk n GLN 484 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2gjk s ARG 485 N -0.99 2.88 0.43 -1.09 0.52 -1.11 -1.44 118.95 118.16 2gjk s ARG 485 Ca 0.15 -0.51 0.23 0.00 -0.52 0.00 0.00 55.73 55.09 2gjk s ARG 485 Cb 0.10 -2.72 0.88 0.00 0.52 0.00 0.00 34.95 33.73 2gjk s ARG 485 CO 0.15 0.67 1.81 -1.00 0.02 0.00 0.00 175.30 176.95 2gjk h PRO 486 N 4.80 0.00 -3.01 3.54 0.13 -1.83 -3.44 132.00 132.20 2gjk h PRO 486 Ca -0.50 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.45 2gjk h PRO 486 Cb 1.18 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.02 2gjk h PRO 486 CO 0.55 0.25 -0.47 -1.17 -0.23 0.00 0.00 178.00 176.94 2gjk s LEU 487 N -6.85 0.43 -0.03 1.56 2.96 -1.26 -0.33 118.68 115.16 2gjk s LEU 487 Ca 0.00 0.55 -0.08 0.00 -0.22 0.00 0.00 54.13 54.38 2gjk s LEU 487 Cb 0.10 0.79 0.01 0.00 0.50 0.00 0.00 46.19 47.60 2gjk s LEU 487 CO 0.64 -0.16 0.19 -0.44 -1.32 0.00 0.00 176.35 175.26 2gjk s SER 488 N 1.16 -0.10 -0.07 3.68 0.01 -0.65 -4.99 113.70 112.74 2gjk s SER 488 Ca -0.08 0.08 0.02 0.00 1.31 0.00 0.00 55.95 57.27 2gjk s SER 488 Cb -0.09 0.31 -0.02 0.00 0.21 0.00 0.00 66.02 66.42 2gjk s SER 488 CO -0.08 -0.27 -0.12 -0.76 0.41 0.00 0.00 173.24 172.42 2gjk s LEU 489 N -0.80 2.84 -0.19 2.44 1.43 -1.26 -0.84 118.68 122.31 2gjk s LEU 489 Ca -0.09 -0.18 0.00 0.00 -1.03 0.00 0.00 54.13 52.84 2gjk s LEU 489 Cb -0.05 -1.60 0.02 0.00 0.03 0.00 0.00 46.19 44.59 2gjk s LEU 489 CO 0.01 0.31 -0.17 -0.63 0.23 0.00 0.00 176.35 176.10 2gjk s ILE 490 N -0.52 2.26 0.21 -0.59 1.01 0.32 -0.92 121.20 122.98 2gjk s ILE 490 Ca 0.07 -0.90 0.08 0.00 0.00 0.00 0.00 60.65 59.91 2gjk s ILE 490 Cb -0.12 -1.98 -0.04 0.00 0.01 0.00 0.00 42.46 40.33 2gjk s ILE 490 CO 0.02 0.50 -0.01 -1.58 0.00 0.00 0.00 174.94 173.87 2gjk s GLN 491 N 1.31 2.33 0.00 2.79 0.74 -0.31 -1.38 119.66 125.15 2gjk s GLN 491 Ca 0.05 -1.23 0.00 0.00 0.05 0.00 0.00 55.36 54.23 2gjk s GLN 491 Cb -0.13 -2.27 0.00 0.00 1.10 0.00 0.00 33.01 31.70 2gjk s GLN 491 CO -0.11 0.42 0.00 0.41 -0.55 0.00 0.00 175.29 175.46 2gjk n GLY 492 N -0.37 2.54 3.41 2.59 0.00 -1.21 -1.66 105.19 110.49 2gjk n GLY 492 Ca -0.09 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 2gjk n GLY 492 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2gjk s PRO 493 N -1.42 -1.94 0.34 1.61 0.02 -1.25 -4.66 135.00 127.70 2gjk s PRO 493 Ca 0.00 0.39 -0.28 0.00 0.02 0.00 0.00 61.00 61.13 2gjk s PRO 493 Cb 0.00 -1.47 -0.12 0.00 0.02 0.00 0.00 34.50 32.93 2gjk s PRO 493 CO 0.00 -4.28 1.39 -2.30 -0.33 0.00 0.00 177.00 171.47 2gjk n PRO 494 N -5.25 2.34 -1.02 5.54 -0.02 -1.26 -3.15 135.00 132.18 2gjk n PRO 494 Ca 0.08 0.82 -0.01 0.00 -2.02 0.00 0.00 63.50 62.38 2gjk n PRO 494 Cb 0.58 -2.48 -0.00 0.00 -0.02 0.00 0.00 33.50 31.58 2gjk n PRO 494 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2gjk n GLY 495 N 0.91 0.46 0.93 -1.23 0.00 -1.26 -4.75 105.19 100.25 2gjk n GLY 495 Ca 0.05 -0.17 0.06 0.00 0.00 0.00 0.00 46.02 45.96 2gjk n GLY 495 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2gjk n THR 496 N -2.82 0.82 -1.37 2.61 -2.24 -1.19 -1.41 114.28 108.68 2gjk n THR 496 Ca -0.01 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 2gjk n THR 496 Cb 0.10 0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 2gjk n THR 496 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gjk n GLY 497 N 1.03 0.47 0.11 3.38 0.00 -1.26 -4.80 105.19 104.11 2gjk n GLY 497 Ca 0.15 -0.91 -0.10 0.00 0.00 0.00 0.00 46.02 45.16 2gjk n GLY 497 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gjk h LYS 498 N 0.00 0.26 -0.36 1.61 1.57 -1.91 0.16 116.57 117.91 2gjk h LYS 498 Ca 0.00 -0.02 -0.15 0.00 -1.87 0.00 0.00 60.65 58.61 2gjk h LYS 498 Cb 0.45 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 2gjk h LYS 498 CO 0.00 0.20 -0.38 1.15 -0.57 0.00 0.00 179.45 179.86 2gjk h THR 499 N 0.25 1.28 -0.59 -0.16 2.02 -1.98 -0.01 112.91 113.71 2gjk h THR 499 Ca 0.07 -1.55 -0.08 0.00 0.77 0.00 0.00 66.41 65.62 2gjk h THR 499 Cb 0.00 1.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 2gjk h THR 499 CO -0.01 0.51 0.06 0.58 0.37 0.00 0.00 175.52 177.03 2gjk h VAL 500 N 0.70 1.26 -0.35 3.16 2.07 -1.95 -1.05 116.25 120.08 2gjk h VAL 500 Ca 0.06 -1.06 -0.10 0.00 0.82 0.00 0.00 66.70 66.43 2gjk h VAL 500 Cb 0.95 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 2gjk h VAL 500 CO 0.09 0.39 -0.19 0.74 0.02 0.00 0.00 177.57 178.62 2gjk h THR 501 N 0.91 1.26 -0.34 2.57 2.02 -0.53 -1.13 112.91 117.68 2gjk h THR 501 Ca 0.18 -1.24 -0.06 0.00 0.77 0.00 0.00 66.41 66.06 2gjk h THR 501 Cb 0.48 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 2gjk h THR 501 CO 0.02 0.41 -0.04 0.28 0.37 0.00 0.00 175.52 176.56 2gjk h SER 502 N 0.59 0.62 -0.87 4.18 0.02 -0.81 -0.93 113.55 116.35 2gjk h SER 502 Ca 0.09 -0.34 0.03 0.00 -0.84 0.00 0.00 61.79 60.73 2gjk h SER 502 Cb 0.65 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 62.97 2gjk h SER 502 CO 0.05 0.80 0.57 0.00 -1.14 0.00 0.00 176.83 177.11 2gjk h ALA 503 N 0.83 1.44 -0.47 3.77 0.00 -0.95 -0.86 119.26 123.02 2gjk h ALA 503 Ca 0.09 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 2gjk h ALA 503 Cb 0.51 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2gjk h ALA 503 CO 0.02 0.49 -0.18 1.15 0.00 0.00 0.00 179.25 180.73 2gjk h THR 504 N 1.11 1.27 -0.35 0.00 2.02 -0.90 -1.97 112.91 114.08 2gjk h THR 504 Ca 0.34 -1.32 -0.06 0.00 0.77 0.00 0.00 66.41 66.14 2gjk h THR 504 Cb -0.02 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 2gjk h THR 504 CO -0.09 0.45 -0.01 0.40 0.37 0.00 0.00 175.52 176.64 2gjk h ILE 505 N 0.81 1.26 0.00 3.11 2.04 -0.65 -2.89 117.51 121.19 2gjk h ILE 505 Ca 0.12 -0.99 -0.04 0.00 1.00 0.00 0.00 64.86 64.94 2gjk h ILE 505 Cb 0.73 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 2gjk h ILE 505 CO 0.06 0.33 -0.21 0.58 0.00 0.00 0.00 178.15 178.91 2gjk h VAL 506 N 0.42 1.09 -0.28 1.67 2.07 -1.04 -1.52 116.25 118.66 2gjk h VAL 506 Ca 0.10 -0.72 -0.04 0.00 0.82 0.00 0.00 66.70 66.86 2gjk h VAL 506 Cb 0.47 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 2gjk h VAL 506 CO 0.02 0.20 0.01 0.22 0.02 0.00 0.00 177.57 178.04 2gjk h TYR 507 N 0.00 0.53 -0.07 1.57 3.20 -1.16 -1.93 116.97 119.11 2gjk h TYR 507 Ca -0.00 -0.09 -0.18 0.00 3.14 0.00 0.00 58.73 61.60 2gjk h TYR 507 Cb 0.38 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 2gjk h TYR 507 CO 0.00 0.63 -0.74 0.45 -1.64 0.00 0.00 178.16 176.86 2gjk h HIS 508 N 0.28 0.51 -0.04 -3.82 3.86 -1.28 -2.40 115.15 112.25 2gjk h HIS 508 Ca 0.08 -0.23 -0.05 0.00 -1.16 0.00 0.00 60.37 59.01 2gjk h HIS 508 Cb 0.41 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.79 2gjk h HIS 508 CO 0.03 0.98 -0.23 -0.07 0.86 0.00 0.00 177.93 179.51 2gjk h LEU 509 N 0.25 0.07 -0.34 2.43 3.38 -1.30 -2.59 115.31 117.22 2gjk h LEU 509 Ca -0.03 -0.02 -0.19 0.00 0.09 0.00 0.00 57.88 57.74 2gjk h LEU 509 Cb 1.31 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 2gjk h LEU 509 CO 0.12 0.30 -0.84 0.00 0.09 0.00 0.00 178.44 178.11 2gjk h ALA 510 N 1.71 0.58 0.00 1.53 0.00 -1.18 -3.17 119.26 118.73 2gjk h ALA 510 Ca 0.01 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.21 2gjk h ALA 510 Cb 0.44 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2gjk h ALA 510 CO 0.03 0.92 0.00 0.54 0.00 0.00 0.00 179.25 180.74 2gjk n ARG 511 N -3.66 0.13 -1.63 0.00 5.12 -0.92 -4.69 116.66 111.02 2gjk n ARG 511 Ca -0.03 0.12 -0.29 0.00 -1.93 0.00 0.00 57.85 55.71 2gjk n ARG 511 Cb 0.78 -1.50 0.10 0.00 -1.16 0.00 0.00 32.46 30.69 2gjk n ARG 511 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2gjk s GLN 512 N -2.82 1.78 -0.01 5.56 -0.21 -1.14 -4.96 119.66 117.86 2gjk s GLN 512 Ca 0.14 0.41 0.01 0.00 0.02 0.00 0.00 55.36 55.95 2gjk s GLN 512 Cb 0.14 -1.90 0.07 0.00 1.00 0.00 0.00 33.01 32.31 2gjk s GLN 512 CO 0.36 -1.78 0.73 0.41 -2.12 0.00 0.00 175.29 172.89 2gjk n GLY 513 N -2.41 0.96 3.94 3.09 0.00 -1.26 -4.90 105.19 104.61 2gjk n GLY 513 Ca 0.07 -0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 2gjk n GLY 513 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2gjk s ASN 514 N -0.33 2.96 0.29 1.61 0.01 -1.26 -5.09 114.94 113.12 2gjk s ASN 514 Ca 0.04 0.10 0.00 0.00 -0.71 0.00 0.00 52.86 52.30 2gjk s ASN 514 Cb 0.03 -0.08 0.00 0.00 0.41 0.00 0.00 41.25 41.61 2gjk s ASN 514 CO 0.02 -2.82 0.00 0.61 -1.51 0.00 0.00 177.10 173.40 2gjk n GLY 515 N -3.77 -1.75 3.74 0.66 0.00 -1.26 -4.96 105.19 97.84 2gjk n GLY 515 Ca 0.17 -1.49 -0.42 0.00 0.00 0.00 0.00 46.02 44.28 2gjk n GLY 515 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2gjk s PRO 516 N -0.86 4.30 0.23 1.61 0.04 -1.26 -4.96 135.00 134.10 2gjk s PRO 516 Ca 0.00 2.22 -0.30 0.00 0.04 0.00 0.00 61.00 62.97 2gjk s PRO 516 Cb 0.00 -3.15 -0.09 0.00 0.04 0.00 0.00 34.50 31.30 2gjk s PRO 516 CO 0.00 -0.41 1.09 0.08 0.04 0.00 0.00 177.00 177.81 2gjk s VAL 517 N 0.31 3.69 -0.25 -0.36 1.01 -0.28 -4.61 120.40 119.90 2gjk s VAL 517 Ca 0.61 1.58 -0.10 0.00 0.00 0.00 0.00 61.98 64.06 2gjk s VAL 517 Cb -0.40 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 31.93 2gjk s VAL 517 CO 0.39 0.33 0.15 -0.22 0.00 0.00 0.00 175.10 175.75 2gjk s LEU 518 N -0.92 3.96 -0.08 3.92 2.96 -0.87 -1.27 118.68 126.37 2gjk s LEU 518 Ca 0.47 0.02 0.05 0.00 -0.22 0.00 0.00 54.13 54.44 2gjk s LEU 518 Cb -0.31 -2.07 -0.01 0.00 0.50 0.00 0.00 46.19 44.31 2gjk s LEU 518 CO 0.38 0.02 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.50 2gjk s VAL 519 N 1.35 2.15 0.11 1.68 1.01 -0.58 -1.56 120.40 124.57 2gjk s VAL 519 Ca 0.07 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.04 2gjk s VAL 519 Cb -0.15 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 2gjk s VAL 519 CO 0.07 0.56 -0.02 0.00 0.00 0.00 0.00 175.10 175.71 2gjk s ALA 521 N -3.79 -0.96 0.22 0.00 0.00 -1.20 -1.19 121.76 114.85 2gjk s ALA 521 Ca 0.15 0.23 -0.08 0.00 0.00 0.00 0.00 51.96 52.26 2gjk s ALA 521 Cb 0.07 0.39 0.19 0.00 0.00 0.00 0.00 23.12 23.76 2gjk s ALA 521 CO -0.03 -0.48 1.86 -1.00 0.00 0.00 0.00 175.76 176.12 2gjk h PRO 522 N 2.95 1.16 -6.03 0.00 0.13 -1.80 -1.81 132.00 126.60 2gjk h PRO 522 Ca -0.32 -0.11 -0.63 0.00 -0.87 0.00 0.00 66.00 64.07 2gjk h PRO 522 Cb 1.21 -0.24 -0.07 0.00 0.13 0.00 0.00 31.00 32.03 2gjk h PRO 522 CO 0.44 0.82 -0.55 -1.54 -0.23 0.00 0.00 178.00 176.94 2gjk s SER 523 N -6.10 5.91 0.41 1.44 1.04 -1.26 -4.45 113.70 110.69 2gjk s SER 523 Ca -0.13 0.14 0.10 0.00 0.48 0.00 0.00 55.95 56.54 2gjk s SER 523 Cb 0.16 -1.71 0.90 0.00 0.10 0.00 0.00 66.02 65.47 2gjk s SER 523 CO 0.81 0.19 1.99 0.78 0.98 0.00 0.00 173.24 177.99 2gjk h ASN 524 N 3.35 0.48 -0.28 7.02 4.21 -1.99 -2.58 115.58 125.79 2gjk h ASN 524 Ca -0.46 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.00 2gjk h ASN 524 Cb 1.17 -0.10 -0.01 0.00 -1.12 0.00 0.00 38.32 38.25 2gjk h ASN 524 CO 0.69 0.31 -0.00 0.40 -1.29 0.00 0.00 177.43 177.54 2gjk h ILE 525 N 0.55 1.26 -0.09 2.81 1.08 -1.93 -2.26 117.51 118.92 2gjk h ILE 525 Ca 0.26 -0.94 -0.08 0.00 -0.39 0.00 0.00 64.86 63.71 2gjk h ILE 525 Cb 0.31 1.32 -0.01 0.00 -3.07 0.00 0.00 36.82 35.36 2gjk h ILE 525 CO -0.07 0.30 -0.31 0.00 -0.69 0.00 0.00 178.15 177.37 2gjk h ALA 526 N 0.82 1.30 -0.07 1.87 0.00 -1.71 -2.70 119.26 118.78 2gjk h ALA 526 Ca 0.08 -0.33 -0.17 0.00 0.00 0.00 0.00 54.91 54.49 2gjk h ALA 526 Cb 0.43 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2gjk h ALA 526 CO 0.02 0.48 -0.69 0.28 0.00 0.00 0.00 179.25 179.34 2gjk h VAL 527 N 0.15 1.39 -0.39 0.00 2.07 -1.36 -2.77 116.25 115.35 2gjk h VAL 527 Ca 0.02 -2.11 -0.10 0.00 0.82 0.00 0.00 66.70 65.33 2gjk h VAL 527 Cb 0.64 2.09 -0.02 0.00 -1.52 0.00 0.00 31.29 32.48 2gjk h VAL 527 CO 0.05 0.63 -0.17 0.44 0.02 0.00 0.00 177.57 178.54 2gjk h ASP 528 N 0.22 0.74 -0.72 0.57 3.32 -1.21 0.13 116.42 119.47 2gjk h ASP 528 Ca -0.02 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.78 2gjk h ASP 528 Cb 1.24 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.55 2gjk h ASP 528 CO 0.11 0.91 0.42 -0.61 -1.72 0.00 0.00 179.24 178.36 2gjk h GLN 529 N 0.66 0.99 0.09 3.56 5.75 -1.41 -2.11 115.11 122.64 2gjk h GLN 529 Ca 0.10 -0.10 -0.26 0.00 -0.15 0.00 0.00 58.65 58.24 2gjk h GLN 529 Cb 0.65 -0.20 0.01 0.00 1.07 0.00 0.00 27.48 29.01 2gjk h GLN 529 CO 0.05 0.71 -1.14 1.25 -2.65 0.00 0.00 178.83 177.04 2gjk h LEU 530 N 0.99 0.50 -1.10 -2.39 5.85 -1.25 -3.06 115.31 114.85 2gjk h LEU 530 Ca 0.26 -0.48 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 2gjk h LEU 530 Cb -0.01 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 2gjk h LEU 530 CO -0.05 1.33 0.45 0.74 -0.34 0.00 0.00 178.44 180.57 2gjk h THR 531 N 0.14 1.22 -0.21 1.05 2.02 -0.64 -2.17 112.91 114.33 2gjk h THR 531 Ca -0.12 -0.52 -0.06 0.00 0.77 0.00 0.00 66.41 66.47 2gjk h THR 531 Cb 1.83 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 68.39 2gjk h THR 531 CO 0.19 0.24 -0.11 -0.08 0.37 0.00 0.00 175.52 176.14 2gjk h GLU 532 N 1.08 0.44 -0.42 6.66 4.81 -1.39 -1.38 114.58 124.38 2gjk h GLU 532 Ca 0.28 -0.20 -0.06 0.00 -0.13 0.00 0.00 59.36 59.25 2gjk h GLU 532 Cb -0.01 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 2gjk h GLU 532 CO -0.05 0.73 0.00 0.87 -0.73 0.00 0.00 179.01 179.83 2gjk h LYS 533 N 0.14 0.67 -0.21 1.92 1.79 -1.42 -2.32 116.57 117.13 2gjk h LYS 533 Ca 0.04 -0.16 -0.19 0.00 -2.18 0.00 0.00 60.65 58.17 2gjk h LYS 533 Cb 0.61 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 31.17 2gjk h LYS 533 CO 0.03 0.69 -0.61 0.82 -1.08 0.00 0.00 179.45 179.30 2gjk h ILE 534 N 0.63 1.30 -0.37 1.86 2.04 -1.33 -2.84 117.51 118.81 2gjk h ILE 534 Ca 0.13 -1.84 0.02 0.00 1.00 0.00 0.00 64.86 64.17 2gjk h ILE 534 Cb 0.40 1.79 -0.02 0.00 -0.74 0.00 0.00 36.82 38.24 2gjk h ILE 534 CO 0.01 0.58 0.24 -0.74 0.00 0.00 0.00 178.15 178.25 2gjk h HIS 535 N 0.53 0.40 0.00 1.37 2.76 -0.95 -2.19 115.15 117.07 2gjk h HIS 535 Ca -0.00 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 2gjk h HIS 535 Cb 1.20 -0.13 -0.00 0.00 1.55 0.00 0.00 27.41 30.02 2gjk h HIS 535 CO 0.06 0.24 -0.12 1.96 -1.30 0.00 0.00 177.93 178.78 2gjk h GLN 536 N 0.42 0.00 0.00 5.26 4.20 -1.17 -2.32 115.11 121.50 2gjk h GLN 536 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 2gjk h GLN 536 Cb 0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.84 2gjk h GLN 536 CO -0.03 0.12 0.00 1.79 -0.67 0.00 0.00 178.83 180.03 2gjk h THR 537 N 0.00 0.00 0.00 -0.54 1.35 -1.43 -3.32 112.91 108.97 2gjk h THR 537 Ca -0.00 -0.58 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 2gjk h THR 537 Cb 0.44 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 68.43 2gjk h THR 537 CO 0.02 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.90 2gjk n GLY 538 N 1.21 0.94 3.81 5.82 0.00 -0.87 -4.77 105.19 111.33 2gjk n GLY 538 Ca 0.05 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 2gjk n GLY 538 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gjk s LEU 539 N 0.00 3.54 -0.56 0.99 1.43 -1.25 -4.98 118.68 117.85 2gjk s LEU 539 Ca 0.00 1.79 -0.28 0.00 -1.03 0.00 0.00 54.13 54.61 2gjk s LEU 539 Cb 0.00 -4.53 0.01 0.00 0.03 0.00 0.00 46.19 41.70 2gjk s LEU 539 CO 0.00 -1.05 1.43 -0.54 0.23 0.00 0.00 176.35 176.42 2gjk s LYS 540 N -4.01 3.30 -0.01 1.70 1.02 -1.26 -4.79 119.74 115.69 2gjk s LYS 540 Ca 0.63 0.48 0.01 0.00 0.02 0.00 0.00 55.97 57.11 2gjk s LYS 540 Cb -0.15 -4.13 -0.04 0.00 -0.52 0.00 0.00 37.83 33.00 2gjk s LYS 540 CO 0.35 -1.94 0.02 0.08 -0.92 0.00 0.00 175.35 172.94 2gjk s VAL 541 N 6.10 4.30 -0.11 3.17 1.01 -1.26 -1.38 120.40 132.22 2gjk s VAL 541 Ca 0.53 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 62.00 2gjk s VAL 541 Cb -0.11 -2.91 0.02 0.00 0.00 0.00 0.00 36.38 33.38 2gjk s VAL 541 CO 0.25 0.40 -0.13 -0.69 0.00 0.00 0.00 175.10 174.93 2gjk s VAL 542 N -1.08 1.34 -0.50 2.92 1.01 -0.65 -4.94 120.40 118.50 2gjk s VAL 542 Ca 0.19 -0.53 -0.17 0.00 0.00 0.00 0.00 61.98 61.47 2gjk s VAL 542 Cb -0.12 -1.26 0.07 0.00 0.00 0.00 0.00 36.38 35.08 2gjk s VAL 542 CO 0.10 0.41 0.51 -0.60 0.00 0.00 0.00 175.10 175.52 2gjk s ARG 543 N 1.19 3.04 0.03 2.72 3.00 -0.77 -1.05 118.95 127.11 2gjk s ARG 543 Ca -0.03 -1.18 -0.27 0.00 -1.00 0.00 0.00 55.73 53.25 2gjk s ARG 543 Cb -0.14 -4.13 -0.05 0.00 0.00 0.00 0.00 34.95 30.63 2gjk s ARG 543 CO -0.04 -1.15 0.84 -1.17 0.00 0.00 0.00 175.30 173.78 2gjk s LEU 544 N 2.09 4.42 0.09 -0.88 2.96 -0.15 -1.67 118.68 125.54 2gjk s LEU 544 Ca 0.09 1.51 0.01 0.00 -0.22 0.00 0.00 54.13 55.52 2gjk s LEU 544 Cb -0.23 -3.35 -0.04 0.00 0.50 0.00 0.00 46.19 43.08 2gjk s LEU 544 CO 0.09 -0.08 -0.04 0.00 -1.32 0.00 0.00 176.35 174.99 2gjk n ALA 546 N -0.02 -1.66 0.23 0.00 0.00 -1.26 -4.88 120.51 112.92 2gjk n ALA 546 Ca -0.12 -0.29 0.07 0.00 0.00 0.00 0.00 53.44 53.11 2gjk n ALA 546 Cb 0.61 -1.84 0.56 0.00 0.00 0.00 0.00 19.45 18.78 2gjk n ALA 546 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2gjk h LYS 547 N -0.52 0.00 0.00 0.00 1.57 -2.01 -2.62 116.57 113.00 2gjk h LYS 547 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 2gjk h LYS 547 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.65 2gjk h LYS 547 CO 0.41 0.18 -0.35 0.43 -0.57 0.00 0.00 179.45 179.55 2gjk n SER 548 N -4.13 0.58 -2.32 0.86 7.64 -1.26 -4.13 113.62 110.87 2gjk n SER 548 Ca -0.02 0.22 -0.34 0.00 1.01 0.00 0.00 58.87 59.74 2gjk n SER 548 Cb 0.25 -0.16 0.09 0.00 -1.01 0.00 0.00 64.21 63.38 2gjk n SER 548 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2gjk n ARG 549 N -1.94 2.67 0.02 1.43 1.74 -0.99 -4.13 116.66 115.46 2gjk n ARG 549 Ca 0.05 -3.28 0.12 0.00 -0.77 0.00 0.00 57.85 53.97 2gjk n ARG 549 Cb 0.40 -2.28 0.21 0.00 -1.02 0.00 0.00 32.46 29.77 2gjk n ARG 549 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2gjk n GLU 550 N -0.93 0.11 0.00 5.56 1.02 -1.26 -3.67 120.64 121.47 2gjk n GLU 550 Ca 0.63 0.03 0.15 0.00 -0.02 0.00 0.00 57.16 57.94 2gjk n GLU 550 Cb 0.73 -1.56 0.74 0.00 -0.02 0.00 0.00 31.44 31.33 2gjk n GLU 550 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2gjk n ALA 551 N -1.63 2.66 -1.78 0.62 0.00 -1.26 -4.90 120.51 114.22 2gjk n ALA 551 Ca 0.05 -0.29 -0.35 0.00 0.00 0.00 0.00 53.44 52.84 2gjk n ALA 551 Cb 0.37 -1.37 -0.02 0.00 0.00 0.00 0.00 19.45 18.44 2gjk n ALA 551 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2gjk s ILE 552 N -2.10 3.43 -0.21 0.00 -1.09 -1.24 -5.03 121.20 114.97 2gjk s ILE 552 Ca 0.41 0.92 -0.03 0.00 -2.23 0.00 0.00 60.65 59.72 2gjk s ILE 552 Cb 0.21 -3.39 0.07 0.00 -1.58 0.00 0.00 42.46 37.77 2gjk s ILE 552 CO 0.38 -0.16 0.07 -0.62 -1.23 0.00 0.00 174.94 173.37 2gjk s ASP 553 N -1.80 2.96 0.44 3.58 -1.08 -1.26 -4.96 116.67 114.55 2gjk s ASP 553 Ca 0.69 -0.91 0.05 0.00 -0.52 0.00 0.00 52.55 51.85 2gjk s ASP 553 Cb -0.21 -0.50 -0.06 0.00 -1.46 0.00 0.00 42.92 40.70 2gjk s ASP 553 CO 0.25 -0.35 0.01 -0.94 0.52 0.00 0.00 175.17 174.66 2gjk s SER 554 N 1.94 3.88 0.62 -0.34 1.04 -1.26 -5.00 113.70 114.57 2gjk s SER 554 Ca 0.02 -1.47 0.31 0.00 0.48 0.00 0.00 55.95 55.29 2gjk s SER 554 Cb -0.17 -0.06 1.73 0.00 0.10 0.00 0.00 66.02 67.62 2gjk s SER 554 CO -0.14 -0.60 2.07 -0.65 0.98 0.00 0.00 173.24 174.90 2gjk h PRO 555 N 1.64 0.00 -0.45 4.02 0.11 -2.00 -2.35 132.00 132.97 2gjk h PRO 555 Ca -0.44 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.34 2gjk h PRO 555 Cb 1.27 0.00 -0.30 0.00 0.11 0.00 0.00 31.00 32.08 2gjk h PRO 555 CO 0.78 0.00 -0.77 1.33 -0.21 0.00 0.00 178.00 179.12 2gjk n VAL 556 N -3.51 2.15 0.14 3.15 0.24 -1.26 -4.78 118.33 114.46 2gjk n VAL 556 Ca 0.01 -3.61 0.02 0.00 -2.04 0.00 0.00 64.34 58.73 2gjk n VAL 556 Cb 0.35 -0.48 0.37 0.00 -1.47 0.00 0.00 33.84 32.61 2gjk n VAL 556 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 2gjk h SER 557 N 1.82 0.16 0.27 -1.34 4.64 -1.79 -2.47 113.55 114.82 2gjk h SER 557 Ca 0.17 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.44 2gjk h SER 557 Cb 1.38 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 63.42 2gjk h SER 557 CO 0.44 0.40 -0.04 2.19 -0.87 0.00 0.00 176.83 178.95 2gjk h PHE 558 N 0.15 0.00 0.00 4.77 -5.15 -1.86 -1.26 116.94 113.59 2gjk h PHE 558 Ca 0.03 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.80 2gjk h PHE 558 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.66 2gjk h PHE 558 CO 0.01 0.04 0.00 1.28 -2.00 0.00 0.00 178.31 177.63 2gjk n LEU 559 N -3.39 0.20 -4.76 2.10 4.32 -0.93 -4.20 117.00 110.34 2gjk n LEU 559 Ca -0.02 0.53 -0.36 0.00 -0.02 0.00 0.00 56.01 56.14 2gjk n LEU 559 Cb 0.16 -0.48 0.03 0.00 -1.62 0.00 0.00 43.42 41.51 2gjk n LEU 559 CO 0.25 -0.17 0.84 0.00 -1.22 0.00 0.00 177.39 177.09 2gjk s ALA 560 N -3.05 2.58 0.19 -1.18 0.00 -0.48 -1.85 121.76 117.97 2gjk s ALA 560 Ca 0.10 0.99 -0.12 0.00 0.00 0.00 0.00 51.96 52.93 2gjk s ALA 560 Cb 0.14 -3.44 0.10 0.00 0.00 0.00 0.00 23.12 19.92 2gjk s ALA 560 CO 0.44 -1.10 1.81 1.25 0.00 0.00 0.00 175.76 178.16 2gjk h LEU 561 N 0.96 0.78 -1.16 0.00 5.85 -1.65 -0.39 115.31 119.71 2gjk h LEU 561 Ca -0.50 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.10 2gjk h LEU 561 Cb 1.29 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 2gjk h LEU 561 CO 0.55 0.63 0.16 1.12 -0.34 0.00 0.00 178.44 180.57 2gjk h HIS 562 N 0.86 0.76 -0.09 1.25 2.07 -1.92 -1.69 115.15 116.39 2gjk h HIS 562 Ca 0.23 -0.05 -0.21 0.00 -2.85 0.00 0.00 60.37 57.49 2gjk h HIS 562 Cb 0.01 -0.23 0.01 0.00 2.57 0.00 0.00 27.41 29.77 2gjk h HIS 562 CO -0.01 0.62 -0.75 -0.91 -3.07 0.00 0.00 177.93 173.81 2gjk h ASN 563 N 0.73 0.81 0.15 3.10 2.35 -1.74 -3.10 115.58 117.88 2gjk h ASN 563 Ca 0.17 -0.67 -0.03 0.00 -0.55 0.00 0.00 56.30 55.21 2gjk h ASN 563 Cb 0.21 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.34 2gjk h ASN 563 CO -0.01 1.36 -0.15 1.56 -1.65 0.00 0.00 177.43 178.54 2gjk h GLN 564 N 0.32 0.01 0.02 0.81 4.20 -0.90 -2.85 115.11 116.72 2gjk h GLN 564 Ca -0.07 -0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.42 2gjk h GLN 564 Cb 1.40 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.17 2gjk h GLN 564 CO 0.15 0.16 -0.96 0.82 -0.67 0.00 0.00 178.83 178.33 2gjk h ILE 565 N 0.01 1.46 -0.43 2.54 2.04 -1.35 -2.94 117.51 118.83 2gjk h ILE 565 Ca 0.00 -2.63 0.03 0.00 1.00 0.00 0.00 64.86 63.26 2gjk h ILE 565 Cb 0.27 2.53 -0.02 0.00 -0.74 0.00 0.00 36.82 38.86 2gjk h ILE 565 CO 0.02 0.77 0.29 0.03 0.00 0.00 0.00 178.15 179.26 2gjk h ARG 566 N 0.15 0.44 -1.01 2.37 3.08 -1.43 -2.76 114.38 115.23 2gjk h ARG 566 Ca -0.07 -0.03 -0.50 0.00 0.07 0.00 0.00 59.98 59.45 2gjk h ARG 566 Cb 1.61 -0.10 -0.29 0.00 0.08 0.00 0.00 29.97 31.27 2gjk h ARG 566 CO 0.16 0.29 0.64 0.09 -1.07 0.00 0.00 179.97 180.08 2gjk n ASN 567 N -4.48 4.09 -4.57 7.04 3.02 -1.11 -4.92 115.26 114.32 2gjk n ASN 567 Ca 0.05 -3.52 -0.41 0.00 -0.03 0.00 0.00 54.58 50.66 2gjk n ASN 567 Cb 0.16 -0.83 -0.03 0.00 -0.61 0.00 0.00 39.78 38.47 2gjk n ASN 567 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2gjk s MET 568 N -3.13 3.22 0.38 3.52 -1.94 -1.04 -4.83 119.30 115.48 2gjk s MET 568 Ca 0.54 0.51 0.24 0.00 -1.71 0.00 0.00 55.69 55.26 2gjk s MET 568 Cb 0.45 -4.16 0.40 0.00 2.01 0.00 0.00 34.83 33.53 2gjk s MET 568 CO 0.09 -2.04 1.60 0.22 -0.01 0.00 0.00 175.02 174.88 2gjk h ASP 569 N 11.60 0.00 0.87 3.03 1.82 -1.92 -3.30 116.42 128.52 2gjk h ASP 569 Ca -0.27 -0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.36 2gjk h ASP 569 Cb 1.10 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.11 2gjk h ASP 569 CO 1.18 0.00 -0.42 -1.54 -1.61 0.00 0.00 179.24 176.85 2gjk n SER 570 N -2.90 0.56 -2.74 2.28 3.41 -1.26 -4.36 113.62 108.60 2gjk n SER 570 Ca 0.04 0.13 -0.20 0.00 -0.26 0.00 0.00 58.87 58.59 2gjk n SER 570 Cb 0.51 -0.04 -0.00 0.00 -0.26 0.00 0.00 64.21 64.42 2gjk n SER 570 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 2gjk n MET 571 N -1.88 2.27 -1.78 4.33 1.56 -1.24 -5.04 117.12 115.34 2gjk n MET 571 Ca 0.05 -4.00 -0.27 0.00 -0.27 0.00 0.00 57.70 53.22 2gjk n MET 571 Cb 0.40 -1.84 -0.05 0.00 2.15 0.00 0.00 33.22 33.87 2gjk n MET 571 CO 0.00 0.00 0.00 -2.14 -0.73 0.00 0.00 175.97 173.10 2gjk s PRO 572 N -3.21 2.15 0.00 2.12 0.02 -1.26 -3.07 135.00 131.75 2gjk s PRO 572 Ca 0.40 0.51 0.00 0.00 0.02 0.00 0.00 61.00 61.93 2gjk s PRO 572 Cb 0.39 -4.74 0.00 0.00 0.02 0.00 0.00 34.50 30.17 2gjk s PRO 572 CO -0.09 -3.59 0.00 -1.91 -0.33 0.00 0.00 177.00 171.08 2gjk n GLU 573 N 8.94 0.00 0.18 5.54 2.13 -1.26 -4.82 120.64 131.35 2gjk n GLU 573 Ca 0.38 0.00 0.02 0.00 0.66 0.00 0.00 57.16 58.22 2gjk n GLU 573 Cb 0.48 0.00 0.33 0.00 0.27 0.00 0.00 31.44 32.52 2gjk n GLU 573 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 2gjk h LEU 574 N 0.00 0.00 -0.25 4.31 5.85 -1.93 -2.61 115.31 120.68 2gjk h LEU 574 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 2gjk h LEU 574 Cb 0.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 2gjk h LEU 574 CO 0.00 0.42 0.14 -0.61 -0.34 0.00 0.00 178.44 178.05 2gjk h GLN 575 N 0.00 0.34 -0.73 1.25 4.15 -1.88 -0.50 115.11 117.74 2gjk h GLN 575 Ca -0.00 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.33 2gjk h GLN 575 Cb 0.76 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.35 2gjk h GLN 575 CO 0.05 0.29 0.25 0.87 -1.93 0.00 0.00 178.83 178.36 2gjk h LYS 576 N 0.30 1.12 0.00 1.69 1.57 -1.87 -2.84 116.57 116.54 2gjk h LYS 576 Ca 0.09 -0.22 -0.13 0.00 -1.87 0.00 0.00 60.65 58.52 2gjk h LYS 576 Cb 0.04 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 2gjk h LYS 576 CO -0.02 0.94 -0.60 -0.07 -0.57 0.00 0.00 179.45 179.13 2gjk h LEU 577 N 1.08 0.00 -0.38 2.94 3.38 -1.38 -2.95 115.31 118.00 2gjk h LEU 577 Ca 0.24 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.03 2gjk h LEU 577 Cb 0.27 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 2gjk h LEU 577 CO -0.01 0.60 -0.61 -0.61 0.09 0.00 0.00 178.44 177.90 2gjk h GLN 578 N 0.00 0.67 -0.21 1.13 5.75 -0.91 -2.40 115.11 119.15 2gjk h GLN 578 Ca -0.01 -0.46 -0.05 0.00 -0.15 0.00 0.00 58.65 57.99 2gjk h GLN 578 Cb 1.09 0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.69 2gjk h GLN 578 CO 0.08 1.08 -0.08 1.96 -2.65 0.00 0.00 178.83 179.21 2gjk h GLN 579 N 0.50 0.32 -0.46 1.69 4.20 -1.51 -3.07 115.11 116.78 2gjk h GLN 579 Ca -0.00 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.59 2gjk h GLN 579 Cb 1.19 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.90 2gjk h GLN 579 CO 0.12 0.42 0.12 1.25 -0.67 0.00 0.00 178.83 180.08 2gjk h LEU 580 N 0.31 0.70 -1.47 1.46 7.12 -1.26 -2.21 115.31 119.96 2gjk h LEU 580 Ca 0.07 -0.22 -0.06 0.00 0.13 0.00 0.00 57.88 57.79 2gjk h LEU 580 Cb 0.35 -0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 40.29 2gjk h LEU 580 CO 0.02 0.74 -0.27 0.50 -0.13 0.00 0.00 178.44 179.30 2gjk h LYS 581 N 0.62 0.00 0.39 1.25 3.64 -1.41 -3.17 116.57 117.89 2gjk h LYS 581 Ca 0.15 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.51 2gjk h LYS 581 Cb 0.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 2gjk h LYS 581 CO -0.00 0.27 -0.19 -0.44 -2.27 0.00 0.00 179.45 176.82 2gjk h ASP 582 N 0.00 -0.44 -0.00 4.20 3.32 -1.42 -3.48 116.42 118.59 2gjk h ASP 582 Ca -0.00 -0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.05 2gjk h ASP 582 Cb 0.53 0.11 -0.06 0.00 0.22 0.00 0.00 39.33 40.13 2gjk h ASP 582 CO 0.03 -0.00 -0.43 -0.33 -1.72 0.00 0.00 179.24 176.79 2gjk h GLU 583 N -1.11 -0.56 0.00 3.56 4.39 -1.38 -3.39 114.58 116.08 2gjk h GLU 583 Ca -0.05 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2gjk h GLU 583 Cb 0.45 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 2gjk h GLU 583 CO 0.09 -0.38 0.00 -1.13 -1.16 0.00 0.00 179.01 176.43 2gjk n SER 588 N -5.45 0.00 -0.13 1.42 3.41 -1.26 -4.97 113.62 106.64 2gjk n SER 588 Ca -0.06 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.36 2gjk n SER 588 Cb 0.37 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.21 2gjk n SER 588 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2gjk n SER 589 N 0.00 2.03 -0.10 4.04 2.88 -1.26 -3.84 113.62 117.37 2gjk n SER 589 Ca 0.00 -0.04 -0.13 0.00 -1.33 0.00 0.00 58.87 57.37 2gjk n SER 589 Cb 0.00 -0.47 -0.04 0.00 -0.75 0.00 0.00 64.21 62.95 2gjk n SER 589 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2gjk h ALA 590 N -0.19 0.42 0.00 -1.46 0.00 -2.06 -2.93 119.26 113.05 2gjk h ALA 590 Ca -0.58 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 53.96 2gjk h ALA 590 Cb 1.81 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.50 2gjk h ALA 590 CO -0.15 0.38 0.00 -0.25 0.00 0.00 0.00 179.25 179.24 2gjk n ASP 591 N -4.32 0.57 0.00 0.00 8.00 -1.26 -2.90 116.55 116.63 2gjk n ASP 591 Ca -0.04 0.68 -0.17 0.00 0.71 0.00 0.00 54.79 55.97 2gjk n ASP 591 Cb 0.43 -0.78 -0.11 0.00 -0.02 0.00 0.00 41.12 40.63 2gjk n ASP 591 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2gjk h GLU 592 N 0.00 0.36 0.00 -1.24 4.22 -1.62 -2.10 114.58 114.20 2gjk h GLU 592 Ca 0.00 -0.40 -0.10 0.00 0.08 0.00 0.00 59.36 58.94 2gjk h GLU 592 Cb 0.23 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2gjk h GLU 592 CO 0.00 1.09 -0.46 0.87 -2.18 0.00 0.00 179.01 178.33 2gjk h LYS 593 N -0.19 0.00 0.04 1.92 1.57 -1.55 -1.70 116.57 116.66 2gjk h LYS 593 Ca -0.07 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.57 2gjk h LYS 593 Cb 1.30 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.62 2gjk h LYS 593 CO 0.11 0.46 -0.56 -0.09 -0.57 0.00 0.00 179.45 178.80 2gjk h ARG 594 N 0.00 0.30 -0.44 3.15 2.43 -1.63 -2.83 114.38 115.36 2gjk h ARG 594 Ca -0.00 -0.38 0.03 0.00 -0.81 0.00 0.00 59.98 58.81 2gjk h ARG 594 Cb 0.87 0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.52 2gjk h ARG 594 CO 0.06 1.10 0.29 -0.92 -1.51 0.00 0.00 179.97 178.99 2gjk h TYR 595 N -0.32 0.47 -0.02 2.20 3.20 -1.37 -0.80 116.97 120.33 2gjk h TYR 595 Ca -0.08 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.79 2gjk h TYR 595 Cb 1.33 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 39.44 2gjk h TYR 595 CO 0.18 0.28 -0.02 -0.09 -1.64 0.00 0.00 178.16 176.86 2gjk h ARG 596 N 0.49 0.06 0.00 1.82 2.43 -1.34 -2.04 114.38 115.80 2gjk h ARG 596 Ca 0.17 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.25 2gjk h ARG 596 Cb 0.09 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 2gjk h ARG 596 CO -0.04 0.53 -0.31 0.00 -1.51 0.00 0.00 179.97 178.64 2gjk h ALA 597 N 0.53 1.09 -0.07 2.80 0.00 -1.35 -1.84 119.26 120.43 2gjk h ALA 597 Ca 0.00 -0.28 -0.19 0.00 0.00 0.00 0.00 54.91 54.45 2gjk h ALA 597 Cb 0.52 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2gjk h ALA 597 CO 0.01 0.39 -0.75 -0.07 0.00 0.00 0.00 179.25 178.82 2gjk h LEU 598 N 0.00 0.47 -0.41 0.00 3.38 -1.10 -2.50 115.31 115.14 2gjk h LEU 598 Ca -0.00 -0.31 -0.18 0.00 0.09 0.00 0.00 57.88 57.47 2gjk h LEU 598 Cb 0.75 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2gjk h LEU 598 CO 0.04 1.06 -0.74 0.50 0.09 0.00 0.00 178.44 179.39 2gjk h LYS 599 N 0.26 0.35 -0.32 1.13 3.64 -1.15 -2.48 116.57 118.00 2gjk h LYS 599 Ca -0.03 -0.30 -0.05 0.00 -1.27 0.00 0.00 60.65 59.00 2gjk h LYS 599 Cb 1.33 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 33.20 2gjk h LYS 599 CO 0.13 0.94 -0.00 -0.09 -2.27 0.00 0.00 179.45 178.16 2gjk h ARG 600 N 0.24 0.49 -0.08 1.90 9.65 -1.27 -1.38 114.38 123.92 2gjk h ARG 600 Ca -0.03 -0.10 -0.17 0.00 -1.10 0.00 0.00 59.98 58.58 2gjk h ARG 600 Cb 1.31 -0.07 0.01 0.00 -1.39 0.00 0.00 29.97 29.83 2gjk h ARG 600 CO 0.12 0.52 -0.62 1.15 2.80 0.00 0.00 179.97 183.95 2gjk h THR 601 N 0.47 1.36 -0.33 0.20 2.02 -1.36 -2.72 112.91 112.55 2gjk h THR 601 Ca 0.10 -1.94 -0.07 0.00 0.77 0.00 0.00 66.41 65.27 2gjk h THR 601 Cb 0.31 2.26 -0.02 0.00 -1.74 0.00 0.00 68.15 68.96 2gjk h THR 601 CO 0.01 0.59 -0.11 0.00 0.37 0.00 0.00 175.52 176.38 2gjk h ALA 602 N 0.45 1.20 0.07 6.16 0.00 -1.29 -2.32 119.26 123.53 2gjk h ALA 602 Ca -0.05 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 2gjk h ALA 602 Cb 1.27 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2gjk h ALA 602 CO 0.13 0.52 -0.04 0.93 0.00 0.00 0.00 179.25 180.79 2gjk h GLU 603 N 0.52 -0.09 -0.87 0.00 5.08 -1.30 -2.61 114.58 115.31 2gjk h GLU 603 Ca 0.10 0.01 0.18 0.00 -1.00 0.00 0.00 59.36 58.64 2gjk h GLU 603 Cb 0.50 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.70 2gjk h GLU 603 CO 0.03 0.15 0.57 0.00 -1.00 0.00 0.00 179.01 178.76 2gjk h ARG 604 N -0.33 0.49 -0.03 2.33 3.08 -1.34 -0.37 114.38 118.21 2gjk h ARG 604 Ca -0.01 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 2gjk h ARG 604 Cb 0.28 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.23 2gjk h ARG 604 CO 0.02 0.32 -0.10 1.49 -1.07 0.00 0.00 179.97 180.63 2gjk h GLU 605 N 0.50 0.13 -0.14 0.04 4.81 -1.25 -2.17 114.58 116.51 2gjk h GLU 605 Ca 0.45 -0.09 -0.15 0.00 -0.13 0.00 0.00 59.36 59.44 2gjk h GLU 605 Cb 0.97 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 2gjk h GLU 605 CO -0.18 0.71 -0.55 -0.07 -0.73 0.00 0.00 179.01 178.18 2gjk h LEU 606 N -0.43 0.45 -0.09 1.64 3.38 -1.21 -2.48 115.31 116.57 2gjk h LEU 606 Ca -0.00 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 2gjk h LEU 606 Cb 0.71 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 2gjk h LEU 606 CO 0.02 0.91 -0.11 -0.07 0.09 0.00 0.00 178.44 179.28 2gjk h LEU 607 N 0.31 0.26 -0.71 1.67 4.07 -1.13 -2.47 115.31 117.30 2gjk h LEU 607 Ca 0.00 -0.50 0.00 0.00 0.08 0.00 0.00 57.88 57.46 2gjk h LEU 607 Cb 1.07 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.73 2gjk h LEU 607 CO 0.10 0.71 0.00 0.24 -1.08 0.00 0.00 178.44 178.40 2gjk h MET 608 N -0.19 0.00 -0.21 1.13 2.86 -1.44 -3.20 114.93 113.88 2gjk h MET 608 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2gjk h MET 608 Cb 0.64 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.30 2gjk h MET 608 CO 0.03 0.00 0.00 0.09 1.06 0.00 0.00 176.91 178.09 2gjk n ASN 609 N -3.01 2.87 -4.83 1.22 3.02 -0.94 -4.78 115.26 108.80 2gjk n ASN 609 Ca 0.02 -1.84 -0.32 0.00 -0.03 0.00 0.00 54.58 52.41 2gjk n ASN 609 Cb 0.41 -0.13 -0.01 0.00 -0.61 0.00 0.00 39.78 39.44 2gjk n ASN 609 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2gjk s ALA 610 N -1.35 2.94 0.00 5.41 0.00 -0.93 -4.99 121.76 122.84 2gjk s ALA 610 Ca 0.27 0.22 -0.18 0.00 0.00 0.00 0.00 51.96 52.27 2gjk s ALA 610 Cb 0.17 -3.16 -0.34 0.00 0.00 0.00 0.00 23.12 19.79 2gjk s ALA 610 CO 0.24 -0.53 0.96 -0.44 0.00 0.00 0.00 175.76 175.99 2gjk h ASP 611 N 0.54 0.73 -3.91 0.00 3.32 -1.58 -3.35 116.42 112.18 2gjk h ASP 611 Ca -0.46 -0.93 -0.34 0.00 0.02 0.00 0.00 57.03 55.31 2gjk h ASP 611 Cb 1.20 -0.24 -0.29 0.00 0.22 0.00 0.00 39.33 40.22 2gjk h ASP 611 CO 0.60 1.62 -0.76 -0.69 -1.72 0.00 0.00 179.24 178.29 2gjk s VAL 612 N -2.55 0.48 -0.23 -1.35 1.01 -0.87 -1.13 120.40 115.76 2gjk s VAL 612 Ca -0.11 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 61.64 2gjk s VAL 612 Cb 0.03 -0.41 0.04 0.00 0.00 0.00 0.00 36.38 36.04 2gjk s VAL 612 CO 0.91 0.14 -0.13 -0.63 0.00 0.00 0.00 175.10 175.39 2gjk s ILE 613 N -0.08 2.31 -0.20 2.22 1.01 -0.40 -1.63 121.20 124.43 2gjk s ILE 613 Ca 0.02 -1.26 -0.09 0.00 0.00 0.00 0.00 60.65 59.31 2gjk s ILE 613 Cb -0.03 -2.19 -0.05 0.00 0.01 0.00 0.00 42.46 40.20 2gjk s ILE 613 CO -0.00 0.21 0.11 0.00 0.00 0.00 0.00 174.94 175.26 2gjk s THR 616 N -3.87 2.63 0.13 0.00 2.01 -1.26 -3.22 115.64 112.06 2gjk s THR 616 Ca 0.09 0.30 -0.20 0.00 0.31 0.00 0.00 61.69 62.19 2gjk s THR 616 Cb -0.03 -2.82 -0.02 0.00 0.01 0.00 0.00 72.50 69.64 2gjk s THR 616 CO -0.01 -0.18 1.70 0.00 -0.69 0.00 0.00 174.62 175.44 2gjk h VAL 618 N -0.03 1.22 0.00 0.00 2.07 -1.87 -2.54 116.25 115.10 2gjk h VAL 618 Ca 0.10 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.65 2gjk h VAL 618 Cb 0.18 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 2gjk h VAL 618 CO -0.22 0.30 0.00 0.61 0.02 0.00 0.00 177.57 178.28 2gjk n GLY 619 N -0.69 -1.23 0.24 2.17 0.00 -0.72 -2.50 105.19 102.46 2gjk n GLY 619 Ca -0.00 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.13 2gjk n GLY 619 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gjk h ALA 620 N 2.51 1.00 -0.13 4.61 0.00 -0.85 -2.73 119.26 123.67 2gjk h ALA 620 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2gjk h ALA 620 Cb 0.37 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2gjk h ALA 620 CO 0.00 0.16 0.00 0.41 0.00 0.00 0.00 179.25 179.82 2gjk n GLY 621 N 0.21 -0.37 3.71 0.00 0.00 -1.04 -4.81 105.19 102.89 2gjk n GLY 621 Ca 0.01 -0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 2gjk n GLY 621 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2gjk n ASP 622 N -0.13 3.39 0.01 1.61 -0.08 -1.03 -4.89 116.55 115.43 2gjk n ASP 622 Ca 0.06 1.14 0.22 0.00 -1.51 0.00 0.00 54.79 54.69 2gjk n ASP 622 Cb 0.12 -1.52 0.72 0.00 2.34 0.00 0.00 41.12 42.79 2gjk n ASP 622 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2gjk h PRO 623 N 4.77 0.00 0.00 -0.67 0.11 -1.91 0.09 132.00 134.39 2gjk h PRO 623 Ca -0.46 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 2gjk h PRO 623 Cb 1.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 2gjk h PRO 623 CO 0.80 0.00 -0.14 0.00 -0.21 0.00 0.00 178.00 178.45 2gjk h ARG 624 N 0.00 0.00 -0.30 1.05 3.08 -1.97 -1.90 114.38 114.34 2gjk h ARG 624 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 2gjk h ARG 624 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.18 2gjk h ARG 624 CO -0.00 0.14 0.00 1.28 -1.07 0.00 0.00 179.97 180.31 2gjk n LEU 625 N -3.47 2.25 -4.79 3.04 4.77 0.01 -4.91 117.00 113.90 2gjk n LEU 625 Ca -0.01 -1.01 -0.34 0.00 -0.03 0.00 0.00 56.01 54.62 2gjk n LEU 625 Cb 0.30 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 2gjk n LEU 625 CO 0.30 0.51 0.74 0.00 -1.33 0.00 0.00 177.39 177.60 2gjk s ALA 626 N -1.60 2.71 0.00 -1.18 0.00 -0.71 -2.81 121.76 118.16 2gjk s ALA 626 Ca 0.33 0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.86 2gjk s ALA 626 Cb 0.18 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 20.01 2gjk s ALA 626 CO 0.25 -0.76 0.00 1.63 0.00 0.00 0.00 175.76 176.88 2gjk n LYS 627 N -1.67 0.00 -3.65 0.00 4.76 -1.26 -4.98 118.16 111.36 2gjk n LYS 627 Ca 0.10 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.23 2gjk n LYS 627 Cb 0.52 -2.68 -0.05 0.00 -1.84 0.00 0.00 35.03 30.99 2gjk n LYS 627 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 2gjk s MET 628 N -0.08 3.62 0.04 1.97 -1.94 -1.12 -5.10 119.30 116.69 2gjk s MET 628 Ca 0.00 -0.09 0.05 0.00 -1.71 0.00 0.00 55.69 53.94 2gjk s MET 628 Cb 0.00 -2.83 -0.02 0.00 2.01 0.00 0.00 34.83 33.99 2gjk s MET 628 CO 0.00 0.44 -0.14 -1.14 -0.01 0.00 0.00 175.02 174.17 2gjk s GLN 629 N -2.76 0.91 -0.15 2.03 2.00 -1.26 -4.90 119.66 115.53 2gjk s GLN 629 Ca 0.41 -0.79 -0.01 0.00 -2.00 0.00 0.00 55.36 52.97 2gjk s GLN 629 Cb -0.12 -0.92 0.04 0.00 0.80 0.00 0.00 33.01 32.82 2gjk s GLN 629 CO 0.25 0.22 -0.03 -0.06 -0.50 0.00 0.00 175.29 175.17 2gjk s PHE 630 N -0.93 1.40 -0.01 1.67 0.40 0.11 -4.86 117.98 115.77 2gjk s PHE 630 Ca 0.01 -0.87 -0.25 0.00 -0.60 0.00 0.00 56.93 55.21 2gjk s PHE 630 Cb -0.08 -1.18 -0.19 0.00 0.51 0.00 0.00 43.02 42.08 2gjk s PHE 630 CO 0.01 -0.56 1.32 -0.09 0.70 0.00 0.00 175.22 176.60 2gjk h ARG 631 N 8.18 0.03 -5.91 0.44 1.12 -1.82 -3.15 114.38 113.28 2gjk h ARG 631 Ca -0.22 -0.01 -0.67 0.00 -1.11 0.00 0.00 59.98 57.96 2gjk h ARG 631 Cb 1.12 -0.00 -0.18 0.00 -0.01 0.00 0.00 29.97 30.90 2gjk h ARG 631 CO 0.37 0.46 -0.66 -1.12 -3.11 0.00 0.00 179.97 175.91 2gjk s SER 632 N -5.68 4.94 -0.06 -3.80 0.01 -1.26 -1.49 113.70 106.36 2gjk s SER 632 Ca -0.16 0.03 -0.02 0.00 1.31 0.00 0.00 55.95 57.11 2gjk s SER 632 Cb 0.02 -1.42 0.04 0.00 0.21 0.00 0.00 66.02 64.87 2gjk s SER 632 CO 0.68 0.33 0.12 -0.63 0.41 0.00 0.00 173.24 174.15 2gjk s ILE 633 N -0.61 -0.11 -0.04 1.44 1.01 -0.62 -2.04 121.20 120.22 2gjk s ILE 633 Ca 0.10 0.26 0.06 0.00 0.00 0.00 0.00 60.65 61.06 2gjk s ILE 633 Cb -0.12 -0.21 -0.01 0.00 0.01 0.00 0.00 42.46 42.13 2gjk s ILE 633 CO 0.02 0.11 -0.21 -0.22 0.00 0.00 0.00 174.94 174.63 2gjk s LEU 634 N 1.54 2.01 -0.29 2.97 0.20 -0.60 -0.81 118.68 123.70 2gjk s LEU 634 Ca -0.05 -0.41 0.01 0.00 0.69 0.00 0.00 54.13 54.37 2gjk s LEU 634 Cb -0.12 -1.15 0.08 0.00 -0.43 0.00 0.00 46.19 44.58 2gjk s LEU 634 CO -0.05 0.23 0.03 -0.63 -0.29 0.00 0.00 176.35 175.64 2gjk s ILE 635 N -0.26 1.48 0.53 6.68 1.01 -0.46 -0.98 121.20 129.20 2gjk s ILE 635 Ca 0.02 -1.57 -0.18 0.00 0.00 0.00 0.00 60.65 58.92 2gjk s ILE 635 Cb -0.11 -1.97 -0.07 0.00 0.01 0.00 0.00 42.46 40.32 2gjk s ILE 635 CO 0.01 -0.44 1.04 -0.62 0.00 0.00 0.00 174.94 174.93 2gjk s ASP 636 N 1.35 6.19 -1.62 3.58 -1.08 -0.33 -1.43 116.67 123.32 2gjk s ASP 636 Ca 0.04 1.84 0.00 0.00 -0.52 0.00 0.00 52.55 53.92 2gjk s ASP 636 Cb -0.18 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.73 2gjk s ASP 636 CO -0.13 -0.89 0.00 1.21 0.52 0.00 0.00 175.17 175.88 2gjk n GLU 637 N -1.40 -1.38 0.29 4.34 4.07 -0.70 -4.24 120.64 121.61 2gjk n GLU 637 Ca 0.09 0.93 0.14 0.00 -0.06 0.00 0.00 57.16 58.26 2gjk n GLU 637 Cb 0.53 -5.37 0.84 0.00 -0.06 0.00 0.00 31.44 27.39 2gjk n GLU 637 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 2gjk h SER 638 N 0.00 0.00 0.41 4.31 4.64 -1.11 -0.78 113.55 121.03 2gjk h SER 638 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 2gjk h SER 638 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 2gjk h SER 638 CO 0.51 0.02 0.00 0.35 -0.87 0.00 0.00 176.83 176.84 2gjk n THR 639 N -3.93 0.53 1.22 2.95 -2.24 -1.26 -2.61 114.28 108.94 2gjk n THR 639 Ca -0.03 0.13 0.13 0.00 -2.27 0.00 0.00 64.05 62.01 2gjk n THR 639 Cb 0.11 -0.83 0.36 0.00 -2.10 0.00 0.00 70.33 67.87 2gjk n THR 639 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2gjk n GLN 640 N -1.34 1.93 -4.59 -0.78 0.00 -0.30 -3.88 117.38 108.43 2gjk n GLN 640 Ca 0.08 -1.36 -0.30 0.00 -0.00 0.00 0.00 57.00 55.41 2gjk n GLN 640 Cb 0.16 -1.46 -0.13 0.00 0.00 0.00 0.00 30.24 28.81 2gjk n GLN 640 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2gjk s ALA 641 N -1.93 2.53 0.77 1.69 0.00 -1.07 -3.31 121.76 120.43 2gjk s ALA 641 Ca 0.34 -1.28 -0.11 0.00 0.00 0.00 0.00 51.96 50.91 2gjk s ALA 641 Cb 0.20 -0.62 0.06 0.00 0.00 0.00 0.00 23.12 22.76 2gjk s ALA 641 CO 0.31 0.57 1.11 0.95 0.00 0.00 0.00 175.76 178.70 2gjk s THR 642 N -0.97 3.09 0.16 0.00 -4.23 -1.26 -4.11 115.64 108.31 2gjk s THR 642 Ca 0.15 0.39 -0.13 0.00 -1.18 0.00 0.00 61.69 60.91 2gjk s THR 642 Cb -0.10 -2.82 0.04 0.00 1.34 0.00 0.00 72.50 70.96 2gjk s THR 642 CO 0.06 -0.43 1.69 -0.08 -0.54 0.00 0.00 174.62 175.31 2gjk h GLU 643 N -1.00 0.80 -0.37 3.99 4.81 -1.79 -1.68 114.58 119.33 2gjk h GLU 643 Ca -0.44 -0.17 -0.05 0.00 -0.13 0.00 0.00 59.36 58.57 2gjk h GLU 643 Cb 1.24 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.48 2gjk h GLU 643 CO 0.50 0.73 0.01 -1.35 -0.73 0.00 0.00 179.01 178.17 2gjk h PRO 644 N 0.71 0.57 -0.20 0.92 0.11 -1.93 -0.81 132.00 131.38 2gjk h PRO 644 Ca 0.17 -0.13 -0.01 0.00 0.11 0.00 0.00 66.00 66.14 2gjk h PRO 644 Cb 0.26 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.28 2gjk h PRO 644 CO -0.01 0.59 0.07 1.49 -0.21 0.00 0.00 178.00 179.94 2gjk h GLU 645 N 0.55 0.30 0.00 1.05 4.81 -1.88 -2.89 114.58 116.53 2gjk h GLU 645 Ca 0.12 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 2gjk h GLU 645 Cb 0.34 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.67 2gjk h GLU 645 CO 0.01 0.38 -0.05 0.00 -0.73 0.00 0.00 179.01 178.62 2gjk n MET 647 N -3.33 0.22 -0.10 0.00 1.56 -0.33 -4.11 117.12 111.02 2gjk n MET 647 Ca -0.01 0.14 -0.07 0.00 -0.27 0.00 0.00 57.70 57.49 2gjk n MET 647 Cb 0.21 -1.71 0.01 0.00 2.15 0.00 0.00 33.22 33.88 2gjk n MET 647 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 2gjk h VAL 648 N 0.00 0.94 -0.08 1.12 2.07 -1.44 -2.75 116.25 116.11 2gjk h VAL 648 Ca 0.00 -0.11 -0.21 0.00 0.82 0.00 0.00 66.70 67.19 2gjk h VAL 648 Cb 0.69 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 2gjk h VAL 648 CO 0.00 0.06 -0.82 -0.65 0.02 0.00 0.00 177.57 176.17 2gjk h PRO 649 N 0.32 0.56 -0.78 1.57 0.11 -1.72 -3.36 132.00 128.70 2gjk h PRO 649 Ca 0.15 -0.50 0.06 0.00 0.11 0.00 0.00 66.00 65.83 2gjk h PRO 649 Cb 0.10 0.12 -0.06 0.00 0.11 0.00 0.00 31.00 31.26 2gjk h PRO 649 CO -0.13 1.13 0.47 0.28 -0.21 0.00 0.00 178.00 179.53 2gjk h VAL 650 N 0.36 1.00 0.00 3.15 2.07 -1.65 -1.96 116.25 119.23 2gjk h VAL 650 Ca -0.06 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.17 2gjk h VAL 650 Cb 1.44 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 2gjk h VAL 650 CO 0.15 0.15 0.00 1.33 0.02 0.00 0.00 177.57 179.23 2gjk n VAL 651 N -4.69 0.00 -1.13 2.57 0.24 -1.08 -2.78 118.33 111.47 2gjk n VAL 651 Ca 0.11 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.20 2gjk n VAL 651 Cb 0.18 -0.56 -0.00 0.00 -1.47 0.00 0.00 33.84 31.99 2gjk n VAL 651 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2gjk n LEU 652 N -0.91 6.48 0.00 1.34 4.77 -0.74 -4.51 117.00 123.43 2gjk n LEU 652 Ca 0.14 -3.61 0.00 0.00 -0.03 0.00 0.00 56.01 52.51 2gjk n LEU 652 Cb 0.06 -1.13 0.00 0.00 -2.33 0.00 0.00 43.42 40.03 2gjk n LEU 652 CO 0.10 1.43 0.00 0.61 -1.33 0.00 0.00 177.39 178.21 2gjk n GLY 653 N 0.55 0.91 3.68 -0.72 0.00 0.01 0.10 105.19 109.71 2gjk n GLY 653 Ca 0.38 -0.25 -0.46 0.00 0.00 0.00 0.00 46.02 45.69 2gjk n GLY 653 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gjk n ALA 654 N -1.28 1.40 -0.01 4.61 0.00 -1.09 -4.30 120.51 119.83 2gjk n ALA 654 Ca 0.00 0.34 -0.01 0.00 0.00 0.00 0.00 53.44 53.77 2gjk n ALA 654 Cb 0.01 -2.49 -0.03 0.00 0.00 0.00 0.00 19.45 16.94 2gjk n ALA 654 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2gjk n LYS 655 N 5.42 2.25 -4.18 0.00 5.02 -0.55 -1.70 118.16 124.43 2gjk n LYS 655 Ca 0.20 -0.02 -0.25 0.00 -2.02 0.00 0.00 58.31 56.22 2gjk n LYS 655 Cb 0.32 -1.11 -0.17 0.00 -0.02 0.00 0.00 35.03 34.05 2gjk n LYS 655 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2gjk s GLN 656 N -2.18 1.42 -0.07 1.97 0.74 -0.85 -4.67 119.66 116.02 2gjk s GLN 656 Ca -0.02 -0.26 0.01 0.00 0.05 0.00 0.00 55.36 55.14 2gjk s GLN 656 Cb 0.02 -1.36 0.02 0.00 1.10 0.00 0.00 33.01 32.78 2gjk s GLN 656 CO 0.18 -0.14 -0.07 -1.17 -0.55 0.00 0.00 175.29 173.54 2gjk s LEU 657 N 1.23 1.32 -0.09 3.68 2.96 0.54 -1.60 118.68 126.73 2gjk s LEU 657 Ca -0.04 -0.22 0.03 0.00 -0.22 0.00 0.00 54.13 53.67 2gjk s LEU 657 Cb -0.14 -0.67 -0.01 0.00 0.50 0.00 0.00 46.19 45.87 2gjk s LEU 657 CO -0.02 -0.06 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.14 2gjk s ILE 658 N 1.14 2.65 -0.12 6.68 -1.09 0.01 -1.63 121.20 128.83 2gjk s ILE 658 Ca -0.07 -0.83 0.01 0.00 -2.23 0.00 0.00 60.65 57.53 2gjk s ILE 658 Cb -0.14 -2.05 0.02 0.00 -1.58 0.00 0.00 42.46 38.71 2gjk s ILE 658 CO -0.01 0.55 -0.14 -0.76 -1.23 0.00 0.00 174.94 173.35 2gjk s LEU 659 N 0.03 1.65 -0.09 2.97 1.43 -0.02 -1.35 118.68 123.30 2gjk s LEU 659 Ca -0.07 -0.43 0.02 0.00 -1.03 0.00 0.00 54.13 52.62 2gjk s LEU 659 Cb -0.15 -1.08 -0.02 0.00 0.03 0.00 0.00 46.19 44.97 2gjk s LEU 659 CO 0.05 -0.02 -0.14 -0.69 0.23 0.00 0.00 176.35 175.77 2gjk s VAL 660 N 1.22 2.99 0.22 -1.59 1.01 -0.52 -0.52 120.40 123.22 2gjk s VAL 660 Ca -0.02 -0.72 -0.22 0.00 0.00 0.00 0.00 61.98 61.02 2gjk s VAL 660 Cb -0.14 -2.21 0.06 0.00 0.00 0.00 0.00 36.38 34.09 2gjk s VAL 660 CO -0.05 0.56 0.90 -0.83 0.00 0.00 0.00 175.10 175.68 2gjk s GLY 661 N -0.17 -0.06 -0.26 4.51 0.00 -0.48 -0.89 107.32 109.98 2gjk s GLY 661 Ca -0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 44.72 44.53 2gjk s GLY 661 CO 0.03 0.35 0.39 -0.35 0.00 0.00 0.00 173.10 173.53 2gjk s ASP 662 N -3.03 0.21 0.00 1.64 -1.08 -1.26 -3.31 116.67 109.83 2gjk s ASP 662 Ca 0.14 0.12 0.23 0.00 -0.52 0.00 0.00 52.55 52.52 2gjk s ASP 662 Cb -0.03 1.16 1.13 0.00 -1.46 0.00 0.00 42.92 43.72 2gjk s ASP 662 CO 0.05 -0.31 1.74 0.00 0.52 0.00 0.00 175.17 177.17 2gjk n HIS 663 N 5.36 0.00 1.08 -5.34 1.44 -1.26 -1.76 115.22 114.74 2gjk n HIS 663 Ca -0.03 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.81 2gjk n HIS 663 Cb 0.50 -0.31 0.43 0.00 0.12 0.00 0.00 29.99 30.73 2gjk n HIS 663 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2gjk n GLN 665 N -1.37 1.73 -1.67 0.00 6.02 -0.72 -4.29 117.38 117.08 2gjk n GLN 665 Ca 0.08 0.00 -0.47 0.00 -0.01 0.00 0.00 57.00 56.60 2gjk n GLN 665 Cb 0.33 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.55 2gjk n GLN 665 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2gjk n LEU 666 N 0.00 3.20 0.00 1.08 4.77 -1.26 -4.85 117.00 119.93 2gjk n LEU 666 Ca 0.00 1.05 -0.11 0.00 -0.03 0.00 0.00 56.01 56.93 2gjk n LEU 666 Cb 0.00 -1.41 0.04 0.00 -2.33 0.00 0.00 43.42 39.72 2gjk n LEU 666 CO 0.00 -0.22 0.21 0.61 -1.33 0.00 0.00 177.39 176.66 2gjk n GLY 667 N 3.68 1.76 3.76 -0.72 0.00 -1.26 -3.56 105.19 108.85 2gjk n GLY 667 Ca 0.18 -2.15 -0.37 0.00 0.00 0.00 0.00 46.02 43.68 2gjk n GLY 667 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2gjk s PRO 668 N -3.46 3.19 -0.46 1.61 0.02 -1.21 -4.72 135.00 129.97 2gjk s PRO 668 Ca 0.33 1.92 -0.13 0.00 0.02 0.00 0.00 61.00 63.14 2gjk s PRO 668 Cb -0.02 -2.12 0.09 0.00 0.02 0.00 0.00 34.50 32.46 2gjk s PRO 668 CO 0.21 -1.06 0.35 0.14 -0.33 0.00 0.00 177.00 176.32 2gjk s VAL 669 N -1.51 4.78 -0.32 3.83 -7.23 -1.26 -5.02 120.40 113.67 2gjk s VAL 669 Ca 0.73 -1.29 -0.01 0.00 -1.81 0.00 0.00 61.98 59.60 2gjk s VAL 669 Cb -0.33 -3.92 0.07 0.00 0.56 0.00 0.00 36.38 32.76 2gjk s VAL 669 CO 0.37 -0.60 0.03 -0.69 -0.31 0.00 0.00 175.10 173.90 2gjk s VAL 670 N 1.53 2.88 0.16 1.32 1.01 -1.26 -4.99 120.40 121.06 2gjk s VAL 670 Ca 0.04 -1.65 -0.13 0.00 0.00 0.00 0.00 61.98 60.23 2gjk s VAL 670 Cb -0.25 -2.78 0.06 0.00 0.00 0.00 0.00 36.38 33.41 2gjk s VAL 670 CO 0.04 -0.27 1.75 0.24 0.00 0.00 0.00 175.10 176.86 2gjk h MET 671 N 7.94 0.77 -6.36 2.72 2.86 -1.96 -3.42 114.93 117.49 2gjk h MET 671 Ca -0.17 -0.11 -0.59 0.00 -2.06 0.00 0.00 59.70 56.77 2gjk h MET 671 Cb 1.05 -0.14 -0.09 0.00 0.06 0.00 0.00 31.60 32.48 2gjk h MET 671 CO 0.56 0.63 0.71 0.00 1.06 0.00 0.00 176.91 179.87 2gjk h LYS 673 N 9.14 0.00 -0.18 0.00 5.09 -2.00 -1.82 116.57 126.80 2gjk h LYS 673 Ca -0.24 0.00 -0.07 0.00 0.09 0.00 0.00 60.65 60.44 2gjk h LYS 673 Cb 1.07 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.40 2gjk h LYS 673 CO 1.06 0.07 -0.15 -0.22 -2.09 0.00 0.00 179.45 178.12 2gjk h LYS 674 N 0.00 0.43 -0.26 0.07 3.64 -1.97 -2.28 116.57 116.19 2gjk h LYS 674 Ca -0.00 -0.21 -0.01 0.00 -1.27 0.00 0.00 60.65 59.16 2gjk h LYS 674 Cb 0.13 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 2gjk h LYS 674 CO 0.01 0.77 0.13 0.00 -2.27 0.00 0.00 179.45 178.09 2gjk h ALA 675 N 0.65 0.33 -0.51 5.00 0.00 -1.83 -2.21 119.26 120.69 2gjk h ALA 675 Ca 0.03 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 54.96 2gjk h ALA 675 Cb 0.68 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.28 2gjk h ALA 675 CO 0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 179.25 179.17 2gjk h ALA 676 N 0.99 0.47 -0.12 0.00 0.00 -1.34 -1.75 119.26 117.51 2gjk h ALA 676 Ca 0.09 0.15 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 2gjk h ALA 676 Cb 0.11 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2gjk h ALA 676 CO -0.01 -0.39 -0.37 0.87 0.00 0.00 0.00 179.25 179.35 2gjk h LYS 677 N 0.11 0.25 -0.02 0.00 1.79 -1.34 -2.83 116.57 114.52 2gjk h LYS 677 Ca 0.26 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 2gjk h LYS 677 Cb 0.39 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 2gjk h LYS 677 CO -0.43 0.59 0.00 0.00 -1.08 0.00 0.00 179.45 178.53 2gjk n ALA 678 N -2.48 2.61 0.00 3.86 0.00 -0.71 -4.87 120.51 118.92 2gjk n ALA 678 Ca -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.23 2gjk n ALA 678 Cb 0.45 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.60 2gjk n ALA 678 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gjk n GLY 679 N 0.88 0.95 0.18 0.00 0.00 -0.95 -4.96 105.19 101.28 2gjk n GLY 679 Ca 0.16 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.32 2gjk n GLY 679 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2gjk h LEU 680 N 0.00 0.00 0.00 0.99 5.85 -1.47 -3.17 115.31 117.51 2gjk h LEU 680 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2gjk h LEU 680 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2gjk h LEU 680 CO 0.00 0.00 -0.02 -1.54 -0.34 0.00 0.00 178.44 176.54 2gjk n SER 681 N -2.57 0.24 -4.70 1.25 3.41 -1.24 -4.54 113.62 105.46 2gjk n SER 681 Ca 0.02 0.49 -0.40 0.00 -0.26 0.00 0.00 58.87 58.73 2gjk n SER 681 Cb 0.31 -0.55 -0.05 0.00 -0.26 0.00 0.00 64.21 63.66 2gjk n SER 681 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2gjk s GLN 682 N -3.03 4.35 0.63 4.33 0.74 -1.20 -4.70 119.66 120.79 2gjk s GLN 682 Ca 0.13 0.78 -0.14 0.00 0.05 0.00 0.00 55.36 56.18 2gjk s GLN 682 Cb 0.17 -3.49 -0.02 0.00 1.10 0.00 0.00 33.01 30.77 2gjk s GLN 682 CO 0.55 -0.05 1.06 -1.54 -0.55 0.00 0.00 175.29 174.77 2gjk s SER 683 N 0.92 5.55 0.18 6.67 1.04 -1.26 -3.47 113.70 123.33 2gjk s SER 683 Ca 0.34 1.79 -0.16 0.00 0.48 0.00 0.00 55.95 58.40 2gjk s SER 683 Cb -0.17 -2.53 0.13 0.00 0.10 0.00 0.00 66.02 63.56 2gjk s SER 683 CO 0.14 -1.32 1.66 0.25 0.98 0.00 0.00 173.24 174.95 2gjk h LEU 684 N 0.04 -0.38 -0.53 2.42 6.46 -1.83 -2.08 115.31 119.41 2gjk h LEU 684 Ca -0.46 0.13 0.11 0.00 -0.12 0.00 0.00 57.88 57.54 2gjk h LEU 684 Cb 1.22 0.27 -0.10 0.00 -0.73 0.00 0.00 40.66 41.32 2gjk h LEU 684 CO 0.57 -0.14 -0.12 0.15 -0.62 0.00 0.00 178.44 178.27 2gjk h PHE 685 N 0.01 -0.27 -0.01 1.25 3.04 -1.92 -1.77 116.94 117.28 2gjk h PHE 685 Ca 0.22 0.05 -0.11 0.00 3.98 0.00 0.00 57.97 62.11 2gjk h PHE 685 Cb 0.33 0.20 -0.01 0.00 2.56 0.00 0.00 35.95 39.03 2gjk h PHE 685 CO -0.37 -0.22 -0.49 0.93 -2.02 0.00 0.00 178.31 176.13 2gjk h GLU 686 N 0.01 0.02 -0.19 1.11 5.08 -1.84 -2.59 114.58 116.18 2gjk h GLU 686 Ca 0.25 -0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 58.44 2gjk h GLU 686 Cb 0.39 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2gjk h GLU 686 CO -0.54 0.51 -0.54 -0.09 -1.00 0.00 0.00 179.01 177.35 2gjk h ARG 687 N 0.02 0.55 -0.02 2.33 2.43 -0.68 -2.65 114.38 116.36 2gjk h ARG 687 Ca -0.00 -0.35 -0.10 0.00 -0.81 0.00 0.00 59.98 58.72 2gjk h ARG 687 Cb 0.88 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.45 2gjk h ARG 687 CO 0.07 0.95 -0.48 -0.07 -1.51 0.00 0.00 179.97 178.93 2gjk h LEU 688 N 0.42 0.05 -0.68 3.80 3.38 -1.17 -1.68 115.31 119.44 2gjk h LEU 688 Ca 0.01 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 2gjk h LEU 688 Cb 1.09 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 2gjk h LEU 688 CO 0.10 0.53 0.01 0.58 0.09 0.00 0.00 178.44 179.75 2gjk h VAL 689 N 0.04 1.26 -0.07 1.22 2.07 -1.34 -2.14 116.25 117.30 2gjk h VAL 689 Ca -0.00 -1.13 -0.08 0.00 0.82 0.00 0.00 66.70 66.31 2gjk h VAL 689 Cb 0.87 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 2gjk h VAL 689 CO 0.06 0.41 -0.33 0.58 0.02 0.00 0.00 177.57 178.31 2gjk h VAL 690 N 0.95 1.26 0.00 2.57 2.07 -1.20 -2.69 116.25 119.21 2gjk h VAL 690 Ca 0.17 -1.25 0.00 0.00 0.82 0.00 0.00 66.70 66.44 2gjk h VAL 690 Cb 0.54 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 2gjk h VAL 690 CO 0.03 0.37 0.00 0.18 0.02 0.00 0.00 177.57 178.17 2gjk n LEU 691 N -4.11 0.76 0.00 2.57 4.77 -0.65 -4.91 117.00 115.42 2gjk n LEU 691 Ca -0.01 0.64 0.00 0.00 -0.03 0.00 0.00 56.01 56.60 2gjk n LEU 691 Cb 0.40 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 2gjk n LEU 691 CO 0.40 -0.43 0.00 0.61 -1.33 0.00 0.00 177.39 176.64 2gjk n GLY 692 N 0.51 0.86 3.73 -0.72 0.00 -0.85 -5.08 105.19 103.64 2gjk n GLY 692 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 2gjk n GLY 692 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2gjk s ILE 693 N -2.00 3.18 -0.31 -0.61 -5.25 -0.97 -4.97 121.20 110.28 2gjk s ILE 693 Ca 0.00 0.93 -0.11 0.00 -0.99 0.00 0.00 60.65 60.48 2gjk s ILE 693 Cb 0.00 -3.59 -0.02 0.00 2.95 0.00 0.00 42.46 41.79 2gjk s ILE 693 CO 0.00 0.12 0.19 -0.13 -1.79 0.00 0.00 174.94 173.33 2gjk s ARG 694 N 0.27 3.59 0.33 0.37 3.00 -1.26 -4.34 118.95 120.91 2gjk s ARG 694 Ca 0.60 -0.56 -0.29 0.00 0.00 0.00 0.00 55.73 55.47 2gjk s ARG 694 Cb -0.37 -3.67 -0.11 0.00 0.00 0.00 0.00 34.95 30.80 2gjk s ARG 694 CO 0.36 -0.34 1.54 -2.14 0.00 0.00 0.00 175.30 174.71 2gjk s PRO 695 N 1.70 4.13 0.16 3.54 0.02 -1.26 -4.77 135.00 138.52 2gjk s PRO 695 Ca 0.06 2.55 -0.31 0.00 0.02 0.00 0.00 61.00 63.32 2gjk s PRO 695 Cb -0.17 -3.01 -0.10 0.00 0.02 0.00 0.00 34.50 31.25 2gjk s PRO 695 CO 0.09 -0.57 1.55 0.42 -0.33 0.00 0.00 177.00 178.16 2gjk s ILE 696 N -0.49 2.71 -0.10 2.83 1.01 -0.09 -4.80 121.20 122.27 2gjk s ILE 696 Ca 0.58 0.50 0.00 0.00 0.00 0.00 0.00 60.65 61.74 2gjk s ILE 696 Cb -0.47 -3.32 -0.02 0.00 0.01 0.00 0.00 42.46 38.65 2gjk s ILE 696 CO 0.54 0.04 -0.09 -0.13 0.00 0.00 0.00 174.94 175.29 2gjk s ARG 697 N 1.16 3.08 -0.13 2.79 0.52 -1.26 -1.16 118.95 123.95 2gjk s ARG 697 Ca 0.69 -0.61 -0.02 0.00 -0.52 0.00 0.00 55.73 55.27 2gjk s ARG 697 Cb -0.43 -2.63 -0.03 0.00 0.52 0.00 0.00 34.95 32.39 2gjk s ARG 697 CO 0.31 0.44 -0.06 -0.51 0.02 0.00 0.00 175.30 175.50 2gjk s LEU 698 N -0.22 3.17 0.00 2.53 1.43 -0.66 -4.93 118.68 120.00 2gjk s LEU 698 Ca 0.02 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.00 2gjk s LEU 698 Cb -0.13 -1.74 0.00 0.00 0.03 0.00 0.00 46.19 44.35 2gjk s LEU 698 CO 0.03 0.22 0.00 0.00 0.23 0.00 0.00 176.35 176.83 2gjk n GLN 699 N 3.15 1.11 -3.39 1.70 6.02 -1.26 -3.97 117.38 120.74 2gjk n GLN 699 Ca -0.18 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.41 2gjk n GLN 699 Cb 0.53 -0.92 -0.09 0.00 1.02 0.00 0.00 30.24 30.77 2gjk n GLN 699 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2gjk s VAL 700 N -1.71 5.16 0.18 5.09 1.01 -1.26 -2.39 120.40 126.49 2gjk s VAL 700 Ca 0.00 0.13 -0.09 0.00 0.00 0.00 0.00 61.98 62.02 2gjk s VAL 700 Cb 0.00 -3.81 -0.07 0.00 0.00 0.00 0.00 36.38 32.50 2gjk s VAL 700 CO 0.00 -0.06 0.50 0.00 0.00 0.00 0.00 175.10 175.54 2gjk s GLN 701 N 2.04 3.79 0.00 2.72 1.03 -0.68 -4.40 119.66 124.15 2gjk s GLN 701 Ca 0.12 0.23 0.00 0.00 0.04 0.00 0.00 55.36 55.75 2gjk s GLN 701 Cb -0.16 -2.77 0.00 0.00 0.03 0.00 0.00 33.01 30.11 2gjk s GLN 701 CO 0.12 0.40 0.80 0.66 -2.54 0.00 0.00 175.29 174.73 2gjk n TYR 702 N 0.17 0.00 -0.08 9.60 4.02 -0.50 -1.25 117.16 129.13 2gjk n TYR 702 Ca -0.02 -0.32 -0.07 0.00 -0.01 0.00 0.00 57.90 57.48 2gjk n TYR 702 Cb 0.52 -0.03 -0.03 0.00 -0.02 0.00 0.00 39.34 39.78 2gjk n TYR 702 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 2gjk n ARG 703 N -0.32 0.47 -2.17 -0.72 0.63 -1.26 -4.91 116.66 108.39 2gjk n ARG 703 Ca 0.00 0.52 -0.26 0.00 -0.92 0.00 0.00 57.85 57.19 2gjk n ARG 703 Cb 0.31 -1.69 0.09 0.00 0.45 0.00 0.00 32.46 31.62 2gjk n ARG 703 CO 0.00 0.00 0.00 -1.64 -2.51 0.00 0.00 177.63 173.48 2gjk s MET 704 N -2.28 1.88 0.04 -0.14 1.00 -1.26 -4.40 119.30 114.14 2gjk s MET 704 Ca -0.17 -0.34 -0.15 0.00 0.00 0.00 0.00 55.69 55.03 2gjk s MET 704 Cb 0.03 -2.12 -0.06 0.00 0.00 0.00 0.00 34.83 32.68 2gjk s MET 704 CO 0.28 -1.48 0.46 -1.58 0.00 0.00 0.00 175.02 172.70 2gjk s HIS 705 N -3.36 3.72 0.32 -0.03 2.46 -0.96 -4.83 115.29 112.60 2gjk s HIS 705 Ca 0.63 1.04 0.06 0.00 0.47 0.00 0.00 55.06 57.25 2gjk s HIS 705 Cb -0.09 -2.33 0.88 0.00 -0.13 0.00 0.00 32.58 30.91 2gjk s HIS 705 CO 0.46 0.60 1.57 -1.35 -2.47 0.00 0.00 174.74 173.55 2gjk h PRO 706 N 4.42 0.01 -0.46 2.88 0.11 -1.88 0.11 132.00 137.20 2gjk h PRO 706 Ca -0.51 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.55 2gjk h PRO 706 Cb 1.21 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 2gjk h PRO 706 CO 0.63 0.01 0.07 0.00 -0.21 0.00 0.00 178.00 178.49 2gjk h ALA 707 N 1.99 1.26 -0.32 -0.75 0.00 -1.95 -2.30 119.26 117.19 2gjk h ALA 707 Ca 0.65 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 55.21 2gjk h ALA 707 Cb 1.44 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 2gjk h ALA 707 CO -0.89 0.50 -0.36 -0.07 0.00 0.00 0.00 179.25 178.44 2gjk h LEU 708 N 0.68 0.78 -0.02 0.00 3.38 -1.35 -3.11 115.31 115.67 2gjk h LEU 708 Ca 0.15 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2gjk h LEU 708 Cb 0.32 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2gjk h LEU 708 CO 0.00 1.06 -0.09 -1.54 0.09 0.00 0.00 178.44 177.97 2gjk n SER 709 N -4.05 0.12 0.18 -0.43 3.41 -1.07 -4.19 113.62 107.59 2gjk n SER 709 Ca -0.01 0.17 -0.14 0.00 -0.26 0.00 0.00 58.87 58.62 2gjk n SER 709 Cb 0.51 -0.31 -0.08 0.00 -0.26 0.00 0.00 64.21 64.07 2gjk n SER 709 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2gjk h ALA 710 N 3.13 -0.40 0.03 7.33 0.00 -1.34 -2.70 119.26 125.31 2gjk h ALA 710 Ca 0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2gjk h ALA 710 Cb 0.45 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2gjk h ALA 710 CO 0.00 -0.68 -0.01 0.35 0.00 0.00 0.00 179.25 178.90 2gjk h PHE 711 N -0.48 -0.03 -0.98 0.00 3.57 -1.75 -3.02 116.94 114.25 2gjk h PHE 711 Ca -0.04 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.57 2gjk h PHE 711 Cb 0.36 0.01 -0.08 0.00 2.79 0.00 0.00 35.95 39.03 2gjk h PHE 711 CO -0.04 0.37 0.62 -1.35 -2.23 0.00 0.00 178.31 175.69 2gjk h PRO 712 N -0.44 0.96 -0.24 6.41 0.11 -1.77 -2.60 132.00 134.44 2gjk h PRO 712 Ca -0.00 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.02 2gjk h PRO 712 Cb 0.41 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.30 2gjk h PRO 712 CO 0.01 0.64 0.04 0.66 -0.21 0.00 0.00 178.00 179.13 2gjk h SER 713 N 0.99 0.37 -0.16 -2.05 4.64 -1.50 -2.02 113.55 113.82 2gjk h SER 713 Ca 0.47 -0.26 -0.12 0.00 -0.47 0.00 0.00 61.79 61.41 2gjk h SER 713 Cb 0.43 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 2gjk h SER 713 CO -0.23 0.53 -0.29 0.78 -0.87 0.00 0.00 176.83 176.75 2gjk h ASN 714 N 0.20 0.66 0.35 4.97 2.35 -1.38 -0.16 115.58 122.58 2gjk h ASN 714 Ca 0.07 -0.26 -0.32 0.00 -0.55 0.00 0.00 56.30 55.24 2gjk h ASN 714 Cb 0.32 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 2gjk h ASN 714 CO 0.00 0.92 -1.66 0.40 -1.65 0.00 0.00 177.43 175.45 2gjk h ILE 715 N 0.55 1.01 0.00 2.81 5.03 -1.52 -3.35 117.51 122.05 2gjk h ILE 715 Ca 0.07 -2.66 -0.26 0.00 -0.12 0.00 0.00 64.86 61.88 2gjk h ILE 715 Cb 0.78 2.70 -0.05 0.00 -3.03 0.00 0.00 36.82 37.23 2gjk h ILE 715 CO 0.06 0.81 -1.99 0.49 -0.68 0.00 0.00 178.15 176.85 2gjk n PHE 716 N -3.46 0.00 -0.63 1.37 3.01 -0.76 -4.74 117.46 112.24 2gjk n PHE 716 Ca -0.20 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.30 2gjk n PHE 716 Cb 1.05 -0.71 0.06 0.00 -0.01 0.00 0.00 39.48 39.87 2gjk n PHE 716 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 2gjk n TYR 717 N -2.56 0.00 -2.88 1.38 4.02 -0.29 -5.01 117.16 111.81 2gjk n TYR 717 Ca -0.24 -0.63 -0.19 0.00 -0.01 0.00 0.00 57.90 56.83 2gjk n TYR 717 Cb 0.96 -0.09 0.03 0.00 -0.02 0.00 0.00 39.34 40.22 2gjk n TYR 717 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 2gjk n GLU 718 N -0.80 -4.08 -1.34 -0.72 -0.58 -0.61 -2.24 120.64 110.26 2gjk n GLU 718 Ca 0.06 0.79 -0.12 0.00 -0.42 0.00 0.00 57.16 57.48 2gjk n GLU 718 Cb 0.45 -5.39 -0.05 0.00 -0.57 0.00 0.00 31.44 25.88 2gjk n GLU 718 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2gjk n GLY 719 N -1.40 1.21 0.77 0.62 0.00 -0.23 -4.87 105.19 101.29 2gjk n GLY 719 Ca -0.11 -0.17 0.11 0.00 0.00 0.00 0.00 46.02 45.85 2gjk n GLY 719 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2gjk n SER 720 N -0.70 2.32 -4.54 1.61 3.41 -0.95 -4.74 113.62 110.04 2gjk n SER 720 Ca -0.12 -1.82 -0.41 0.00 -0.26 0.00 0.00 58.87 56.26 2gjk n SER 720 Cb 0.50 -0.15 -0.09 0.00 -0.26 0.00 0.00 64.21 64.21 2gjk n SER 720 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2gjk s LEU 721 N -1.56 4.49 0.46 1.04 2.96 -1.26 -4.86 118.68 119.95 2gjk s LEU 721 Ca 0.34 -0.27 0.06 0.00 -0.22 0.00 0.00 54.13 54.04 2gjk s LEU 721 Cb 0.19 -2.37 -0.02 0.00 0.50 0.00 0.00 46.19 44.49 2gjk s LEU 721 CO 0.28 -0.39 0.21 -1.10 -1.32 0.00 0.00 176.35 174.04 2gjk s GLN 722 N 2.07 2.23 -0.15 1.98 -1.52 -1.00 -4.89 119.66 118.39 2gjk s GLN 722 Ca 0.12 -1.98 -0.02 0.00 -1.95 0.00 0.00 55.36 51.54 2gjk s GLN 722 Cb -0.16 -1.95 -0.02 0.00 -0.22 0.00 0.00 33.01 30.66 2gjk s GLN 722 CO 0.12 -0.29 -0.08 -0.80 -0.25 0.00 0.00 175.29 173.99 2gjk s ASN 723 N -4.00 4.39 0.00 5.90 0.01 -1.26 -1.69 114.94 118.28 2gjk s ASN 723 Ca 0.34 -0.25 0.22 0.00 -0.71 0.00 0.00 52.86 52.46 2gjk s ASN 723 Cb 0.02 -1.70 0.58 0.00 0.41 0.00 0.00 41.25 40.56 2gjk s ASN 723 CO 0.19 0.15 1.50 0.61 -1.51 0.00 0.00 177.10 178.04 2gjk n GLY 724 N 3.67 2.18 3.03 0.66 0.00 -0.38 -4.89 105.19 109.45 2gjk n GLY 724 Ca -0.18 -0.77 -0.16 0.00 0.00 0.00 0.00 46.02 44.92 2gjk n GLY 724 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gjk s VAL 725 N -1.17 0.59 0.54 1.61 1.01 -1.25 -4.94 120.40 116.78 2gjk s VAL 725 Ca 0.46 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.83 2gjk s VAL 725 Cb 0.24 -0.56 0.02 0.00 0.00 0.00 0.00 36.38 36.09 2gjk s VAL 725 CO 0.32 -0.06 0.21 0.42 0.00 0.00 0.00 175.10 176.00 2gjk s THR 726 N -0.66 1.30 0.34 3.92 -4.23 -1.26 -4.50 115.64 110.55 2gjk s THR 726 Ca -0.02 -1.74 0.03 0.00 -1.18 0.00 0.00 61.69 58.77 2gjk s THR 726 Cb -0.06 -2.04 0.27 0.00 1.34 0.00 0.00 72.50 72.02 2gjk s THR 726 CO 0.00 0.00 1.99 0.00 -0.54 0.00 0.00 174.62 176.07 2gjk h ALA 727 N 0.99 1.58 -0.11 3.99 0.00 -1.96 -1.97 119.26 121.77 2gjk h ALA 727 Ca -0.40 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 2gjk h ALA 727 Cb 1.32 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2gjk h ALA 727 CO 0.65 0.36 -0.11 0.00 0.00 0.00 0.00 179.25 180.15 2gjk h ALA 728 N 1.59 1.62 -0.00 0.00 0.00 -1.98 -2.56 119.26 117.92 2gjk h ALA 728 Ca 0.27 -0.17 -0.21 0.00 0.00 0.00 0.00 54.91 54.81 2gjk h ALA 728 Cb 0.02 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2gjk h ALA 728 CO -0.07 0.28 -0.90 -0.44 0.00 0.00 0.00 179.25 178.12 2gjk h ASP 729 N 0.16 0.42 -1.50 0.00 5.19 -1.76 -3.32 116.42 115.60 2gjk h ASP 729 Ca 0.03 -0.33 -0.67 0.00 -0.62 0.00 0.00 57.03 55.44 2gjk h ASP 729 Cb 0.30 -0.13 -0.34 0.00 0.18 0.00 0.00 39.33 39.34 2gjk h ASP 729 CO 0.02 1.13 0.24 0.54 -3.12 0.00 0.00 179.24 178.04 2gjk n ARG 730 N -3.72 3.06 -3.57 3.56 5.12 -1.00 -4.83 116.66 115.29 2gjk n ARG 730 Ca -0.05 -3.86 -0.40 0.00 -1.93 0.00 0.00 57.85 51.60 2gjk n ARG 730 Cb 0.82 -2.27 -0.07 0.00 -1.16 0.00 0.00 32.46 29.77 2gjk n ARG 730 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2gjk s VAL 731 N -5.11 4.34 -0.26 1.55 0.11 -1.02 -4.82 120.40 115.19 2gjk s VAL 731 Ca 0.53 -2.45 -0.41 0.00 -2.93 0.00 0.00 61.98 56.72 2gjk s VAL 731 Cb 0.44 -3.79 -0.17 0.00 -1.53 0.00 0.00 36.38 31.32 2gjk s VAL 731 CO -0.21 -0.88 1.61 1.17 -3.33 0.00 0.00 175.10 173.45 2gjk n LYS 732 N 4.08 0.79 -2.62 1.54 3.00 -1.26 -4.87 118.16 118.82 2gjk n LYS 732 Ca 0.04 0.29 -0.42 0.00 -0.00 0.00 0.00 58.31 58.22 2gjk n LYS 732 Cb 0.41 -1.91 -0.03 0.00 0.00 0.00 0.00 35.03 33.50 2gjk n LYS 732 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2gjk s LYS 733 N 2.75 4.52 -0.47 1.64 1.02 -1.26 -3.42 119.74 124.52 2gjk s LYS 733 Ca 0.98 1.53 -0.01 0.00 0.02 0.00 0.00 55.97 58.49 2gjk s LYS 733 Cb -1.17 -3.43 0.00 0.00 -0.52 0.00 0.00 37.83 32.71 2gjk s LYS 733 CO 0.67 -0.11 0.40 0.41 -0.92 0.00 0.00 175.35 175.79 2gjk n GLY 734 N 3.00 0.19 2.61 -3.33 0.00 -1.26 -5.04 105.19 101.36 2gjk n GLY 734 Ca 0.07 -0.27 -0.21 0.00 0.00 0.00 0.00 46.02 45.60 2gjk n GLY 734 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2gjk s PHE 735 N -3.13 0.15 -1.09 1.61 5.36 -1.22 -4.49 117.98 115.17 2gjk s PHE 735 Ca 0.05 -1.33 -0.19 0.00 -0.96 0.00 0.00 56.93 54.49 2gjk s PHE 735 Cb -0.02 -0.58 0.09 0.00 -0.34 0.00 0.00 43.02 42.17 2gjk s PHE 735 CO 0.28 -0.93 1.44 -0.51 -1.46 0.00 0.00 175.22 174.04 2gjk s ASP 736 N 1.00 6.69 -0.06 6.13 1.11 -0.30 -4.92 116.67 126.32 2gjk s ASP 736 Ca 0.22 -2.05 -0.03 0.00 0.18 0.00 0.00 52.55 50.87 2gjk s ASP 736 Cb -0.12 -2.51 0.04 0.00 1.07 0.00 0.00 42.92 41.40 2gjk s ASP 736 CO -0.05 -1.21 0.13 0.12 1.18 0.00 0.00 175.17 175.34 2gjk s PHE 737 N 3.77 -0.14 -0.14 4.23 5.36 -1.26 -4.62 117.98 125.17 2gjk s PHE 737 Ca 0.44 0.45 0.00 0.00 -0.96 0.00 0.00 56.93 56.86 2gjk s PHE 737 Cb -0.01 -0.10 -0.01 0.00 -0.34 0.00 0.00 43.02 42.56 2gjk s PHE 737 CO -0.04 -0.16 -0.15 1.14 -1.46 0.00 0.00 175.22 174.55 2gjk s GLN 738 N 1.17 3.29 0.66 10.12 -2.07 -1.26 -5.12 119.66 126.46 2gjk s GLN 738 Ca -0.09 -0.73 -0.07 0.00 -1.82 0.00 0.00 55.36 52.65 2gjk s GLN 738 Cb -0.12 -2.60 0.04 0.00 -1.09 0.00 0.00 33.01 29.24 2gjk s GLN 738 CO -0.06 0.13 0.98 -1.58 -1.32 0.00 0.00 175.29 173.45 2gjk s TRP 739 N 0.53 3.09 -1.86 9.60 0.52 -1.26 -4.94 118.94 124.62 2gjk s TRP 739 Ca -0.10 0.59 0.10 0.00 0.02 0.00 0.00 56.10 56.71 2gjk s TRP 739 Cb -0.16 -3.01 0.56 0.00 -1.15 0.00 0.00 33.47 29.71 2gjk s TRP 739 CO 0.04 -1.17 1.07 -2.30 0.02 0.00 0.00 176.95 174.61 2gjk n PRO 740 N -2.81 0.27 -3.11 4.98 -0.02 -1.26 -4.18 135.00 128.87 2gjk n PRO 740 Ca 0.07 0.05 0.03 0.00 -2.02 0.00 0.00 63.50 61.63 2gjk n PRO 740 Cb 0.59 -1.50 -0.00 0.00 -0.02 0.00 0.00 33.50 32.57 2gjk n PRO 740 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 2gjk s GLN 741 N -2.14 0.47 0.87 -0.52 2.00 -1.26 -4.94 119.66 114.14 2gjk s GLN 741 Ca 0.13 0.15 -0.13 0.00 -2.00 0.00 0.00 55.36 53.51 2gjk s GLN 741 Cb 0.07 0.13 0.07 0.00 0.80 0.00 0.00 33.01 34.08 2gjk s GLN 741 CO 0.12 -0.78 0.86 -2.30 -0.50 0.00 0.00 175.29 172.69 2gjk n PRO 742 N 4.81 -0.13 -0.92 1.67 -0.02 -1.26 -2.40 135.00 136.75 2gjk n PRO 742 Ca 0.08 0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 2gjk n PRO 742 Cb 0.57 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 2gjk n PRO 742 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2gjk n ASP 743 N -2.59 -0.65 -3.21 2.55 4.64 -1.26 -4.93 116.55 111.10 2gjk n ASP 743 Ca 0.11 0.00 -0.14 0.00 -1.38 0.00 0.00 54.79 53.38 2gjk n ASP 743 Cb 0.52 -0.60 -0.05 0.00 -1.04 0.00 0.00 41.12 39.95 2gjk n ASP 743 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 2gjk s LYS 744 N -0.23 0.82 -0.99 -0.67 1.02 -1.01 -4.80 119.74 113.89 2gjk s LYS 744 Ca 0.00 -1.09 -0.14 0.00 0.02 0.00 0.00 55.97 54.76 2gjk s LYS 744 Cb 0.00 -0.60 -0.09 0.00 -0.52 0.00 0.00 37.83 36.63 2gjk s LYS 744 CO 0.00 -1.27 2.12 -2.30 -0.92 0.00 0.00 175.35 172.98 2gjk n PRO 745 N 3.67 2.07 -3.61 -1.68 -0.02 -1.26 -4.61 135.00 129.57 2gjk n PRO 745 Ca 0.17 -1.84 -0.11 0.00 -2.02 0.00 0.00 63.50 59.70 2gjk n PRO 745 Cb 0.50 -2.79 -0.06 0.00 -0.02 0.00 0.00 33.50 31.12 2gjk n PRO 745 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2gjk s MET 746 N 3.96 0.60 -0.18 -0.52 0.23 -1.26 -1.90 119.30 120.24 2gjk s MET 746 Ca 0.51 0.47 -0.28 0.00 -1.03 0.00 0.00 55.69 55.35 2gjk s MET 746 Cb 0.13 0.29 0.08 0.00 -1.53 0.00 0.00 34.83 33.80 2gjk s MET 746 CO 0.02 -0.12 0.75 -0.59 -2.03 0.00 0.00 175.02 173.04 2gjk s PHE 747 N -0.28 -0.69 -0.61 3.16 -0.12 -1.18 -4.85 117.98 113.41 2gjk s PHE 747 Ca 0.00 1.47 -0.23 0.00 -0.05 0.00 0.00 56.93 58.13 2gjk s PHE 747 Cb -0.03 0.34 0.06 0.00 -0.63 0.00 0.00 43.02 42.76 2gjk s PHE 747 CO -0.02 -0.46 0.91 0.12 -0.05 0.00 0.00 175.22 175.73 2gjk s PHE 748 N -0.35 2.76 -0.10 3.49 5.36 -0.81 -2.18 117.98 126.15 2gjk s PHE 748 Ca -0.04 -0.42 -0.30 0.00 -0.96 0.00 0.00 56.93 55.22 2gjk s PHE 748 Cb -0.03 -4.14 -0.03 0.00 -0.34 0.00 0.00 43.02 38.48 2gjk s PHE 748 CO 0.04 -1.49 1.38 -0.47 -1.46 0.00 0.00 175.22 173.22 2gjk s TYR 749 N 3.84 2.64 0.21 10.12 5.04 0.20 -2.60 117.35 136.80 2gjk s TYR 749 Ca 0.23 0.77 -0.29 0.00 -2.44 0.00 0.00 57.07 55.34 2gjk s TYR 749 Cb -0.16 -3.63 -0.09 0.00 0.35 0.00 0.00 41.96 38.43 2gjk s TYR 749 CO 0.13 -2.37 0.91 0.08 -1.34 0.00 0.00 175.55 172.96 2gjk s VAL 750 N 3.38 4.16 -0.33 3.14 1.01 -0.74 -2.95 120.40 128.08 2gjk s VAL 750 Ca 0.61 2.02 0.02 0.00 0.00 0.00 0.00 61.98 64.63 2gjk s VAL 750 Cb -0.26 -4.29 0.19 0.00 0.00 0.00 0.00 36.38 32.01 2gjk s VAL 750 CO 0.21 0.49 0.72 -0.89 0.00 0.00 0.00 175.10 175.63 2gjk s THR 751 N -1.07 -0.80 0.17 3.92 2.01 -0.96 -4.67 115.64 114.25 2gjk s THR 751 Ca 0.40 0.00 -0.26 0.00 0.31 0.00 0.00 61.69 62.14 2gjk s THR 751 Cb -0.25 -0.52 -0.08 0.00 0.01 0.00 0.00 72.50 71.66 2gjk s THR 751 CO 0.31 0.00 0.82 -1.10 -0.69 0.00 0.00 174.62 173.95 2gjk s GLN 752 N 2.52 4.63 0.08 4.92 -0.21 -1.26 -3.65 119.66 126.69 2gjk s GLN 752 Ca 0.15 1.23 -0.26 0.00 0.02 0.00 0.00 55.36 56.50 2gjk s GLN 752 Cb -0.06 -3.27 0.08 0.00 1.00 0.00 0.00 33.01 30.76 2gjk s GLN 752 CO -0.20 0.54 0.81 0.20 -2.12 0.00 0.00 175.29 174.52 2gjk s GLY 753 N -1.07 -0.45 -0.57 3.09 0.00 -1.26 -4.93 107.32 102.12 2gjk s GLY 753 Ca 0.37 0.67 -0.27 0.00 0.00 0.00 0.00 44.72 45.49 2gjk s GLY 753 CO 0.27 0.22 1.63 1.62 0.00 0.00 0.00 173.10 176.84 2gjk s GLN 754 N -3.36 3.02 -0.16 2.90 2.00 -1.26 -4.74 119.66 118.05 2gjk s GLN 754 Ca 0.05 0.56 -0.29 0.00 -2.00 0.00 0.00 55.36 53.68 2gjk s GLN 754 Cb -0.01 -4.25 -0.00 0.00 0.80 0.00 0.00 33.01 29.55 2gjk s GLN 754 CO -0.08 -2.27 1.03 -2.00 -0.50 0.00 0.00 175.29 171.47 2gjk s GLU 755 N 6.18 4.34 0.38 1.67 2.12 -1.26 -4.39 118.70 127.73 2gjk s GLU 755 Ca 0.60 1.38 0.03 0.00 0.36 0.00 0.00 54.97 57.35 2gjk s GLU 755 Cb -0.13 -3.59 -0.04 0.00 0.26 0.00 0.00 34.13 30.64 2gjk s GLU 755 CO 0.23 -0.47 0.10 -1.83 -0.54 0.00 0.00 175.26 172.75 2gjk s GLU 756 N 2.59 1.83 0.77 4.30 -1.05 -0.93 -4.98 118.70 121.22 2gjk s GLU 756 Ca 0.46 -2.08 -0.12 0.00 -0.15 0.00 0.00 54.97 53.08 2gjk s GLU 756 Cb -0.17 -0.74 0.05 0.00 -0.44 0.00 0.00 34.13 32.83 2gjk s GLU 756 CO 0.12 -0.36 1.13 -1.50 0.95 0.00 0.00 175.26 175.60 2gjk s ILE 757 N -3.24 2.75 0.18 1.83 2.07 -1.26 -2.02 121.20 121.51 2gjk s ILE 757 Ca 0.28 0.24 -0.24 0.00 -1.41 0.00 0.00 60.65 59.52 2gjk s ILE 757 Cb 0.05 -3.20 -0.08 0.00 0.13 0.00 0.00 42.46 39.36 2gjk s ILE 757 CO 0.14 -0.32 0.77 0.00 -1.91 0.00 0.00 174.94 173.62 2gjk s ALA 758 N -3.42 3.43 0.26 1.50 0.00 -0.50 -4.76 121.76 118.28 2gjk s ALA 758 Ca 0.60 0.33 -0.04 0.00 0.00 0.00 0.00 51.96 52.85 2gjk s ALA 758 Cb -0.12 -2.94 0.51 0.00 0.00 0.00 0.00 23.12 20.57 2gjk s ALA 758 CO 0.51 0.30 1.65 0.66 0.00 0.00 0.00 175.76 178.88 2gjk h SER 759 N 4.11 -0.18 -3.20 0.00 4.64 -1.96 -3.35 113.55 113.61 2gjk h SER 759 Ca -0.47 0.18 -0.57 0.00 -0.47 0.00 0.00 61.79 60.46 2gjk h SER 759 Cb 1.20 0.29 -0.36 0.00 -0.31 0.00 0.00 62.40 63.23 2gjk h SER 759 CO 0.66 -0.14 -0.82 -0.94 -0.87 0.00 0.00 176.83 174.71 2gjk s SER 760 N -5.18 2.42 0.00 4.97 1.04 -1.26 -5.09 113.70 110.61 2gjk s SER 760 Ca -0.13 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 55.89 2gjk s SER 760 Cb 0.23 -1.04 0.00 0.00 0.10 0.00 0.00 66.02 65.31 2gjk s SER 760 CO 0.76 -0.05 0.00 0.61 0.98 0.00 0.00 173.24 175.54 2gjk n GLY 761 N 4.58 0.33 0.15 7.32 0.00 -1.26 -1.58 105.19 114.74 2gjk n GLY 761 Ca -0.17 -2.28 0.02 0.00 0.00 0.00 0.00 46.02 43.60 2gjk n GLY 761 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2gjk n THR 762 N 0.66 0.00 -1.69 2.61 -2.24 -0.99 -4.63 114.28 107.99 2gjk n THR 762 Ca 0.00 -0.47 -0.30 0.00 -2.27 0.00 0.00 64.05 61.01 2gjk n THR 762 Cb 0.00 1.08 0.09 0.00 -2.10 0.00 0.00 70.33 69.40 2gjk n THR 762 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2gjk s SER 763 N -0.66 4.57 0.39 3.42 0.15 -1.02 -4.85 113.70 115.70 2gjk s SER 763 Ca 0.05 1.11 0.08 0.00 0.70 0.00 0.00 55.95 57.89 2gjk s SER 763 Cb 0.04 -1.80 -0.06 0.00 -1.71 0.00 0.00 66.02 62.49 2gjk s SER 763 CO 0.09 -1.90 0.09 -0.31 1.20 0.00 0.00 173.24 172.41 2gjk s TYR 764 N -3.30 2.57 0.30 3.44 2.02 -1.26 -1.40 117.35 119.71 2gjk s TYR 764 Ca 0.61 -0.56 -0.19 0.00 -0.37 0.00 0.00 57.07 56.56 2gjk s TYR 764 Cb -0.13 -1.77 0.02 0.00 -0.40 0.00 0.00 41.96 39.68 2gjk s TYR 764 CO 0.53 0.34 0.69 -0.48 -1.57 0.00 0.00 175.55 175.06 2gjk s LEU 765 N -3.80 -0.10 -0.32 -1.29 2.34 -0.86 -2.76 118.68 111.89 2gjk s LEU 765 Ca 0.38 -0.77 0.00 0.00 0.06 0.00 0.00 54.13 53.80 2gjk s LEU 765 Cb 0.04 2.59 0.14 0.00 -0.56 0.00 0.00 46.19 48.40 2gjk s LEU 765 CO 0.20 -1.38 0.29 0.21 -1.06 0.00 0.00 176.35 174.62 2gjk s ASN 766 N -2.97 1.86 0.43 1.48 3.84 -1.26 -2.20 114.94 116.12 2gjk s ASN 766 Ca 0.14 -1.24 0.18 0.00 0.21 0.00 0.00 52.86 52.14 2gjk s ASN 766 Cb -0.05 0.33 0.97 0.00 -0.55 0.00 0.00 41.25 41.95 2gjk s ASN 766 CO 0.08 -0.34 1.92 0.03 -2.79 0.00 0.00 177.10 176.00 2gjk h ARG 767 N 7.75 0.00 -0.24 0.43 3.08 -1.98 -1.69 114.38 121.73 2gjk h ARG 767 Ca -0.06 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.93 2gjk h ARG 767 Cb 1.05 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.09 2gjk h ARG 767 CO 0.30 0.26 -0.08 1.15 -1.07 0.00 0.00 179.97 180.53 2gjk h THR 768 N 0.00 1.29 -0.20 2.04 2.02 -1.95 -2.62 112.91 113.48 2gjk h THR 768 Ca -0.00 -1.12 -0.01 0.00 0.77 0.00 0.00 66.41 66.04 2gjk h THR 768 Cb 0.52 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.44 2gjk h THR 768 CO 0.03 0.35 0.07 -0.33 0.37 0.00 0.00 175.52 176.01 2gjk h GLU 769 N 0.22 0.31 -0.84 6.66 5.08 -1.84 -2.81 114.58 121.36 2gjk h GLU 769 Ca 0.06 -0.06 0.20 0.00 -1.00 0.00 0.00 59.36 58.56 2gjk h GLU 769 Cb 0.56 -0.05 -0.12 0.00 0.50 0.00 0.00 28.75 29.64 2gjk h GLU 769 CO 0.03 0.39 0.29 0.00 -1.00 0.00 0.00 179.01 178.72 2gjk h ALA 770 N 0.90 1.24 -0.42 3.43 0.00 -1.30 0.27 119.26 123.38 2gjk h ALA 770 Ca 0.07 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 2gjk h ALA 770 Cb 0.20 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2gjk h ALA 770 CO -0.00 -0.35 0.17 0.00 0.00 0.00 0.00 179.25 179.06 2gjk h ALA 771 N 1.69 0.55 0.00 0.00 0.00 -1.34 -2.08 119.26 118.07 2gjk h ALA 771 Ca 0.51 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.23 2gjk h ALA 771 Cb 0.94 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2gjk h ALA 771 CO -0.54 0.15 -0.25 -0.91 0.00 0.00 0.00 179.25 177.70 2gjk h ASN 772 N 0.54 0.00 0.40 0.00 2.35 -0.69 -2.07 115.58 116.10 2gjk h ASN 772 Ca 0.14 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.74 2gjk h ASN 772 Cb 0.18 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 2gjk h ASN 772 CO -0.01 0.25 -0.64 0.58 -1.65 0.00 0.00 177.43 175.96 2gjk h VAL 773 N 0.00 1.40 -0.01 2.81 2.07 -0.19 -1.91 116.25 120.42 2gjk h VAL 773 Ca -0.00 -2.07 -0.14 0.00 0.82 0.00 0.00 66.70 65.31 2gjk h VAL 773 Cb 0.44 2.06 -0.02 0.00 -1.52 0.00 0.00 31.29 32.25 2gjk h VAL 773 CO 0.03 0.61 -0.68 1.05 0.02 0.00 0.00 177.57 178.61 2gjk h GLU 774 N 0.16 0.03 -0.19 1.57 -0.00 -1.04 -1.46 114.58 113.65 2gjk h GLU 774 Ca -0.01 -0.02 -0.15 0.00 -0.00 0.00 0.00 59.36 59.18 2gjk h GLU 774 Cb 1.16 0.01 -0.01 0.00 -0.00 0.00 0.00 28.75 29.90 2gjk h GLU 774 CO 0.10 0.69 -0.49 0.87 -0.00 0.00 0.00 179.01 180.18 2gjk h LYS 775 N 0.02 0.52 -0.23 1.06 1.57 -1.15 -0.21 116.57 118.15 2gjk h LYS 775 Ca -0.01 -0.30 -0.12 0.00 -1.87 0.00 0.00 60.65 58.35 2gjk h LYS 775 Cb 1.20 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.53 2gjk h LYS 775 CO 0.09 0.90 -0.33 0.82 -0.57 0.00 0.00 179.45 180.36 2gjk h ILE 776 N 0.41 1.32 -0.58 1.86 1.08 -1.29 -2.35 117.51 117.97 2gjk h ILE 776 Ca 0.02 -1.53 -0.07 0.00 -0.39 0.00 0.00 64.86 62.89 2gjk h ILE 776 Cb 1.01 1.76 -0.02 0.00 -3.07 0.00 0.00 36.82 36.50 2gjk h ILE 776 CO 0.09 0.48 0.08 0.74 -0.69 0.00 0.00 178.15 178.85 2gjk h THR 777 N 0.32 1.25 -0.20 -0.27 2.02 -1.15 -1.62 112.91 113.26 2gjk h THR 777 Ca 0.02 -0.98 -0.15 0.00 0.77 0.00 0.00 66.41 66.08 2gjk h THR 777 Cb 0.91 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 2gjk h THR 777 CO 0.08 0.36 -0.49 0.74 0.37 0.00 0.00 175.52 176.57 2gjk h THR 778 N 0.88 1.32 -0.22 3.16 2.02 -1.07 -2.52 112.91 116.47 2gjk h THR 778 Ca 0.18 -1.71 -0.13 0.00 0.77 0.00 0.00 66.41 65.52 2gjk h THR 778 Cb 0.41 1.70 -0.01 0.00 -1.74 0.00 0.00 68.15 68.51 2gjk h THR 778 CO 0.01 0.53 -0.41 0.50 0.37 0.00 0.00 175.52 176.53 2gjk h LYS 779 N 0.42 0.51 -0.11 6.66 1.63 -1.03 -2.62 116.57 122.03 2gjk h LYS 779 Ca 0.02 -0.26 -0.21 0.00 -0.85 0.00 0.00 60.65 59.35 2gjk h LYS 779 Cb 1.01 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.65 2gjk h LYS 779 CO 0.09 0.83 -0.77 -0.07 -3.45 0.00 0.00 179.45 176.08 2gjk h LEU 780 N 0.42 0.73 -0.39 5.20 3.38 -1.25 -2.76 115.31 120.64 2gjk h LEU 780 Ca 0.04 -0.49 -0.17 0.00 0.09 0.00 0.00 57.88 57.35 2gjk h LEU 780 Cb 0.89 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 2gjk h LEU 780 CO 0.08 1.26 -0.44 -0.07 0.09 0.00 0.00 178.44 179.36 2gjk h LEU 781 N 0.41 0.96 -1.21 1.67 3.38 -1.41 -2.43 115.31 116.68 2gjk h LEU 781 Ca -0.05 -0.46 -0.07 0.00 0.09 0.00 0.00 57.88 57.39 2gjk h LEU 781 Cb 1.38 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 2gjk h LEU 781 CO 0.15 1.26 -0.34 0.11 0.09 0.00 0.00 178.44 179.70 2gjk h LYS 782 N 0.71 0.00 0.00 1.13 1.57 -1.54 -3.01 116.57 115.43 2gjk h LYS 782 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2gjk h LYS 782 Cb 1.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.34 2gjk h LYS 782 CO 0.10 0.34 0.00 0.00 -0.57 0.00 0.00 179.45 179.32 2gjk h ALA 783 N 1.66 1.00 0.00 3.86 0.00 -1.21 -3.47 119.26 121.10 2gjk h ALA 783 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2gjk h ALA 783 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2gjk h ALA 783 CO 0.04 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.70 2gjk n GLY 784 N 0.53 1.35 3.68 0.00 0.00 -1.14 -1.15 105.19 108.47 2gjk n GLY 784 Ca 0.03 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.61 2gjk n GLY 784 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gjk n ALA 785 N 0.00 1.34 -1.87 4.61 0.00 -0.94 -4.89 120.51 118.75 2gjk n ALA 785 Ca 0.00 0.40 -0.37 0.00 0.00 0.00 0.00 53.44 53.47 2gjk n ALA 785 Cb 0.00 -2.30 -0.06 0.00 0.00 0.00 0.00 19.45 17.09 2gjk n ALA 785 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2gjk s LYS 786 N -0.64 4.53 0.22 0.00 -0.14 -1.26 -4.37 119.74 118.07 2gjk s LYS 786 Ca 0.66 1.22 -0.09 0.00 -1.36 0.00 0.00 55.97 56.40 2gjk s LYS 786 Cb -0.62 -2.90 0.32 0.00 -1.68 0.00 0.00 37.83 32.95 2gjk s LYS 786 CO 0.51 0.36 1.73 -1.35 -0.76 0.00 0.00 175.35 175.84 2gjk h PRO 787 N 3.42 0.35 0.00 -1.68 0.11 -1.91 -2.49 132.00 129.80 2gjk h PRO 787 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2gjk h PRO 787 Cb 1.19 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2gjk h PRO 787 CO 0.65 0.23 0.00 -0.40 -0.21 0.00 0.00 178.00 178.28 2gjk n ASP 788 N -5.05 0.00 -0.99 -2.05 5.75 -1.25 -2.14 116.55 110.83 2gjk n ASP 788 Ca 0.10 -0.35 0.00 0.00 -0.01 0.00 0.00 54.79 54.53 2gjk n ASP 788 Cb 0.32 -0.08 0.21 0.00 -1.03 0.00 0.00 41.12 40.54 2gjk n ASP 788 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2gjk n GLN 789 N -1.08 2.01 -4.56 0.11 1.13 -0.94 -4.94 117.38 109.11 2gjk n GLN 789 Ca 0.11 -3.08 -0.25 0.00 -1.94 0.00 0.00 57.00 51.84 2gjk n GLN 789 Cb 0.07 -1.79 -0.17 0.00 0.11 0.00 0.00 30.24 28.47 2gjk n GLN 789 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2gjk s ILE 790 N -3.13 1.16 0.13 5.09 1.01 -0.91 -1.72 121.20 122.83 2gjk s ILE 790 Ca 0.43 -0.49 0.11 0.00 0.00 0.00 0.00 60.65 60.70 2gjk s ILE 790 Cb 0.38 -1.07 -0.04 0.00 0.01 0.00 0.00 42.46 41.75 2gjk s ILE 790 CO 0.01 0.36 -0.26 -0.83 0.00 0.00 0.00 174.94 174.22 2gjk s GLY 791 N 0.72 1.59 -0.19 6.18 0.00 -0.46 -3.20 107.32 111.96 2gjk s GLY 791 Ca -0.13 -1.46 -0.00 0.00 0.00 0.00 0.00 44.72 43.13 2gjk s GLY 791 CO 0.03 -1.44 -0.06 -0.42 0.00 0.00 0.00 173.10 171.22 2gjk s ILE 792 N -1.06 1.27 -0.16 0.90 1.01 -0.36 -0.94 121.20 121.87 2gjk s ILE 792 Ca 0.14 -0.82 -0.11 0.00 0.00 0.00 0.00 60.65 59.86 2gjk s ILE 792 Cb -0.10 -1.46 -0.05 0.00 0.01 0.00 0.00 42.46 40.86 2gjk s ILE 792 CO 0.06 0.08 0.20 -0.63 0.00 0.00 0.00 174.94 174.65 2gjk s ILE 793 N 1.55 5.38 -0.06 2.92 1.01 -0.50 -2.23 121.20 129.26 2gjk s ILE 793 Ca -0.01 0.34 -0.07 0.00 0.00 0.00 0.00 60.65 60.91 2gjk s ILE 793 Cb -0.16 -3.52 0.02 0.00 0.01 0.00 0.00 42.46 38.80 2gjk s ILE 793 CO -0.08 0.47 0.20 0.28 0.00 0.00 0.00 174.94 175.81 2gjk s THR 794 N 0.03 0.02 0.25 2.92 -1.32 -0.85 -1.00 115.64 115.69 2gjk s THR 794 Ca 0.13 -0.13 0.05 0.00 -1.21 0.00 0.00 61.69 60.53 2gjk s THR 794 Cb -0.12 -0.33 -0.03 0.00 -1.51 0.00 0.00 72.50 70.51 2gjk s THR 794 CO 0.02 -0.07 1.58 -0.65 -2.21 0.00 0.00 174.62 173.29 2gjk h PRO 795 N 5.50 0.22 -5.95 7.08 0.11 -1.88 -3.30 132.00 133.77 2gjk h PRO 795 Ca -0.26 -0.14 -0.64 0.00 0.11 0.00 0.00 66.00 65.07 2gjk h PRO 795 Cb 1.19 0.02 -0.07 0.00 0.11 0.00 0.00 31.00 32.26 2gjk h PRO 795 CO 0.38 0.74 -0.53 0.71 -0.21 0.00 0.00 178.00 179.09 2gjk s TYR 796 N -3.79 3.41 0.20 0.65 1.51 -1.26 -4.70 117.35 113.37 2gjk s TYR 796 Ca -0.04 0.24 -0.00 0.00 -1.01 0.00 0.00 57.07 56.26 2gjk s TYR 796 Cb 0.12 -1.75 0.14 0.00 -0.11 0.00 0.00 41.96 40.36 2gjk s TYR 796 CO 0.79 0.59 1.50 1.49 -1.11 0.00 0.00 175.55 178.81 2gjk h GLU 797 N 3.58 0.40 -0.16 -0.62 4.57 -1.89 -2.68 114.58 117.79 2gjk h GLU 797 Ca -0.47 -0.29 -0.07 0.00 -1.18 0.00 0.00 59.36 57.35 2gjk h GLU 797 Cb 1.17 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.80 2gjk h GLU 797 CO 0.69 0.90 -0.21 0.78 -1.18 0.00 0.00 179.01 179.99 2gjk h GLY 798 N 1.26 0.30 1.79 1.92 0.00 -1.88 -1.35 103.07 105.11 2gjk h GLY 798 Ca -0.01 -0.21 -0.21 0.00 0.00 0.00 0.00 47.33 46.90 2gjk h GLY 798 CO 0.11 0.20 -0.92 -1.61 0.00 0.00 0.00 176.54 174.32 2gjk h GLN 799 N 0.25 0.18 0.17 4.80 5.75 -1.44 -2.75 115.11 122.07 2gjk h GLN 799 Ca 0.04 -0.22 -0.01 0.00 -0.15 0.00 0.00 58.65 58.32 2gjk h GLN 799 Cb 0.53 0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.14 2gjk h GLN 799 CO 0.04 0.98 -0.08 -0.09 -2.65 0.00 0.00 178.83 177.03 2gjk h ARG 800 N 0.09 -0.21 -0.54 1.69 2.43 -1.14 -1.89 114.38 114.80 2gjk h ARG 800 Ca -0.05 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.19 2gjk h ARG 800 Cb 1.57 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 31.12 2gjk h ARG 800 CO 0.14 0.17 0.26 1.03 -1.51 0.00 0.00 179.97 180.06 2gjk h SER 801 N -0.66 0.35 -0.64 -3.80 0.87 -1.37 -2.20 113.55 106.10 2gjk h SER 801 Ca -0.02 0.04 -0.07 0.00 -1.23 0.00 0.00 61.79 60.50 2gjk h SER 801 Cb 0.48 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.39 2gjk h SER 801 CO 0.04 0.23 0.11 0.22 -0.53 0.00 0.00 176.83 176.91 2gjk h TYR 802 N 0.49 1.11 0.00 2.24 3.20 -1.53 -2.77 116.97 119.72 2gjk h TYR 802 Ca 0.25 -0.15 -0.05 0.00 3.14 0.00 0.00 58.73 61.92 2gjk h TYR 802 Cb 0.19 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 2gjk h TYR 802 CO -0.12 0.94 -0.23 -0.07 -1.64 0.00 0.00 178.16 177.05 2gjk h LEU 803 N 0.96 0.00 -0.02 2.82 3.38 -0.95 -0.91 115.31 120.60 2gjk h LEU 803 Ca 0.19 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 2gjk h LEU 803 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2gjk h LEU 803 CO 0.01 0.23 -0.07 0.58 0.09 0.00 0.00 178.44 179.27 2gjk h VAL 804 N 0.00 1.50 -0.30 1.22 2.07 -1.14 -2.46 116.25 117.14 2gjk h VAL 804 Ca -0.00 -1.59 -0.10 0.00 0.82 0.00 0.00 66.70 65.83 2gjk h VAL 804 Cb 0.42 2.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.70 2gjk h VAL 804 CO 0.03 0.42 -0.22 1.56 0.02 0.00 0.00 177.57 179.38 2gjk h GLN 805 N -0.54 0.68 -0.55 1.57 1.08 -1.47 -3.13 115.11 112.75 2gjk h GLN 805 Ca -0.00 -0.33 -0.11 0.00 -1.45 0.00 0.00 58.65 56.76 2gjk h GLN 805 Cb 0.73 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.14 2gjk h GLN 805 CO 0.02 0.93 -0.07 -0.92 -0.95 0.00 0.00 178.83 177.84 2gjk h TYR 806 N 0.43 1.12 -0.10 2.96 3.20 -1.25 -1.33 116.97 122.00 2gjk h TYR 806 Ca 0.06 -0.22 -0.12 0.00 3.14 0.00 0.00 58.73 61.60 2gjk h TYR 806 Cb 0.77 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 2gjk h TYR 806 CO 0.07 1.03 -0.46 0.52 -1.64 0.00 0.00 178.16 177.68 2gjk h MET 807 N 0.91 0.24 0.15 1.82 2.86 -1.52 -1.63 114.93 117.76 2gjk h MET 807 Ca 0.15 -0.13 -0.19 0.00 -2.06 0.00 0.00 59.70 57.47 2gjk h MET 807 Cb 0.63 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.31 2gjk h MET 807 CO 0.04 0.66 -0.84 1.96 1.06 0.00 0.00 176.91 179.78 2gjk h GLN 808 N 0.20 0.31 0.47 1.72 4.20 -1.46 -2.36 115.11 118.19 2gjk h GLN 808 Ca 0.01 -0.53 -0.02 0.00 0.06 0.00 0.00 58.65 58.17 2gjk h GLN 808 Cb 0.89 0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.87 2gjk h GLN 808 CO 0.07 1.25 -0.23 0.74 -0.67 0.00 0.00 178.83 180.00 2gjk h PHE 809 N -0.34 -0.59 -0.57 2.96 0.05 -1.31 -3.36 116.94 113.78 2gjk h PHE 809 Ca -0.15 -0.01 0.00 0.00 3.82 0.00 0.00 57.97 61.63 2gjk h PHE 809 Cb 1.66 0.19 0.00 0.00 2.00 0.00 0.00 35.95 39.81 2gjk h PHE 809 CO 0.19 -0.37 0.00 0.43 -0.18 0.00 0.00 178.31 178.39 2gjk n SER 810 N -5.14 4.46 -4.78 2.17 7.64 -0.61 -4.95 113.62 112.41 2gjk n SER 810 Ca -0.08 -2.47 -0.37 0.00 1.01 0.00 0.00 58.87 56.96 2gjk n SER 810 Cb 0.25 -0.57 -0.04 0.00 -1.01 0.00 0.00 64.21 62.84 2gjk n SER 810 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2gjk s GLY 811 N -0.82 2.78 0.20 0.23 0.00 -0.89 -4.94 107.32 103.89 2gjk s GLY 811 Ca 0.46 0.74 -0.05 0.00 0.00 0.00 0.00 44.72 45.87 2gjk s GLY 811 CO 0.21 1.20 1.59 1.76 0.00 0.00 0.00 173.10 177.85 2gjk h SER 812 N 2.66 0.80 -3.20 1.64 0.02 -1.92 -3.46 113.55 110.09 2gjk h SER 812 Ca -0.48 -0.32 0.00 0.00 -0.84 0.00 0.00 61.79 60.15 2gjk h SER 812 Cb 1.22 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.53 2gjk h SER 812 CO 0.63 1.04 0.00 0.18 -1.14 0.00 0.00 176.83 177.54 2gjk n LEU 813 N -4.09 0.00 -4.77 5.07 4.77 -1.26 -5.05 117.00 111.68 2gjk n LEU 813 Ca -0.01 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.58 2gjk n LEU 813 Cb 0.47 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.57 2gjk n LEU 813 CO 0.46 -0.47 1.04 -1.00 -1.33 0.00 0.00 177.39 176.08 2gjk s HIS 814 N 0.37 2.61 0.43 -1.77 3.76 -1.26 -4.92 115.29 114.51 2gjk s HIS 814 Ca 0.00 1.31 0.19 0.00 -0.15 0.00 0.00 55.06 56.40 2gjk s HIS 814 Cb 0.00 -3.84 1.13 0.00 1.11 0.00 0.00 32.58 30.99 2gjk s HIS 814 CO 0.00 -2.63 2.01 0.00 -0.85 0.00 0.00 174.74 173.27 2gjk h THR 815 N 2.44 0.95 0.00 1.30 1.03 -1.92 -2.74 112.91 113.97 2gjk h THR 815 Ca -0.50 -0.64 -0.05 0.00 -0.01 0.00 0.00 66.41 65.20 2gjk h THR 815 Cb 1.26 1.37 -0.01 0.00 -1.07 0.00 0.00 68.15 69.69 2gjk h THR 815 CO 0.62 0.17 -0.23 0.11 -0.01 0.00 0.00 175.52 176.18 2gjk h LYS 816 N 0.00 0.00 -0.01 0.00 1.79 -1.94 -2.69 116.57 113.71 2gjk h LYS 816 Ca -0.00 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 58.21 2gjk h LYS 816 Cb 0.35 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.02 2gjk h LYS 816 CO 0.02 0.23 -1.00 -0.07 -1.08 0.00 0.00 179.45 177.55 2gjk h LEU 817 N 0.00 0.90 -0.93 2.94 4.07 -1.87 -2.91 115.31 117.52 2gjk h LEU 817 Ca -0.00 -0.73 -0.08 0.00 0.08 0.00 0.00 57.88 57.14 2gjk h LEU 817 Cb 0.54 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 42.00 2gjk h LEU 817 CO 0.03 1.51 -0.40 1.88 -1.08 0.00 0.00 178.44 180.39 2gjk h TYR 818 N 0.38 0.00 0.00 1.13 -1.99 -1.62 -2.67 116.97 112.21 2gjk h TYR 818 Ca -0.12 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.55 2gjk h TYR 818 Cb 1.66 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 40.38 2gjk h TYR 818 CO 0.10 0.40 -0.28 0.37 -0.00 0.00 0.00 178.16 178.75 2gjk h GLN 819 N 0.00 0.00 -0.00 4.88 4.15 -1.48 -2.96 115.11 119.70 2gjk h GLN 819 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2gjk h GLN 819 Cb 0.91 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.60 2gjk h GLN 819 CO 0.05 0.28 -0.25 -1.91 -1.93 0.00 0.00 178.83 175.08 2gjk n GLU 820 N -3.63 0.14 -3.18 1.69 2.13 -1.01 -4.79 120.64 111.99 2gjk n GLU 820 Ca -0.01 -0.05 -0.40 0.00 0.66 0.00 0.00 57.16 57.36 2gjk n GLU 820 Cb 0.40 -1.50 -0.06 0.00 0.27 0.00 0.00 31.44 30.55 2gjk n GLU 820 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2gjk s VAL 821 N -2.90 5.06 0.19 6.31 1.01 -1.12 -3.95 120.40 125.01 2gjk s VAL 821 Ca 0.15 1.06 -0.30 0.00 0.00 0.00 0.00 61.98 62.90 2gjk s VAL 821 Cb 0.19 -3.89 -0.08 0.00 0.00 0.00 0.00 36.38 32.60 2gjk s VAL 821 CO 0.60 0.14 1.11 -1.61 0.00 0.00 0.00 175.10 175.33 2gjk s GLU 822 N 1.81 4.59 -0.06 2.72 2.02 -1.19 -4.96 118.70 123.63 2gjk s GLU 822 Ca 0.26 1.74 -0.01 0.00 0.02 0.00 0.00 54.97 56.98 2gjk s GLU 822 Cb -0.16 -3.26 0.03 0.00 0.10 0.00 0.00 34.13 30.84 2gjk s GLU 822 CO 0.10 0.08 0.00 0.42 0.02 0.00 0.00 175.26 175.89 2gjk s ILE 823 N -0.35 0.31 0.11 -1.63 1.01 -1.26 -1.22 121.20 118.17 2gjk s ILE 823 Ca 0.49 0.13 -0.25 0.00 0.00 0.00 0.00 60.65 61.02 2gjk s ILE 823 Cb -0.30 -0.47 0.08 0.00 0.01 0.00 0.00 42.46 41.79 2gjk s ILE 823 CO 0.36 0.24 1.12 0.00 0.00 0.00 0.00 174.94 176.65 2gjk s ALA 824 N 1.81 -1.88 1.02 9.38 0.00 -0.95 -4.92 121.76 126.22 2gjk s ALA 824 Ca 0.02 -0.09 -0.16 0.00 0.00 0.00 0.00 51.96 51.72 2gjk s ALA 824 Cb -0.13 0.74 0.21 0.00 0.00 0.00 0.00 23.12 23.95 2gjk s ALA 824 CO -0.04 -1.08 1.23 -1.54 0.00 0.00 0.00 175.76 174.32 2gjk s SER 825 N -3.41 2.60 0.52 0.00 1.04 -1.24 -2.00 113.70 111.20 2gjk s SER 825 Ca 0.22 0.50 0.19 0.00 0.48 0.00 0.00 55.95 57.34 2gjk s SER 825 Cb -0.01 -0.70 1.31 0.00 0.10 0.00 0.00 66.02 66.72 2gjk s SER 825 CO 0.03 -3.07 2.09 -0.37 0.98 0.00 0.00 173.24 172.89 2gjk h VAL 826 N -1.87 0.90 -0.99 5.02 -1.51 -1.93 -2.71 116.25 113.16 2gjk h VAL 826 Ca -0.45 -0.00 0.18 0.00 -1.23 0.00 0.00 66.70 65.19 2gjk h VAL 826 Cb 1.27 0.89 -0.10 0.00 -2.13 0.00 0.00 31.29 31.22 2gjk h VAL 826 CO 0.42 0.00 0.61 0.44 -1.23 0.00 0.00 177.57 177.81 2gjk h ASP 827 N 0.01 0.76 0.16 4.19 3.32 -1.98 -0.75 116.42 122.14 2gjk h ASP 827 Ca 0.10 0.08 -0.05 0.00 0.02 0.00 0.00 57.03 57.17 2gjk h ASP 827 Cb 0.37 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 2gjk h ASP 827 CO -0.00 0.30 -0.21 0.00 -1.72 0.00 0.00 179.24 177.61 2gjk h ALA 828 N 1.62 1.55 -0.60 3.45 0.00 -1.85 -2.84 119.26 120.60 2gjk h ALA 828 Ca 0.55 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2gjk h ALA 828 Cb 0.86 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2gjk h ALA 828 CO -0.33 0.33 0.00 1.19 0.00 0.00 0.00 179.25 180.45 2gjk n PHE 829 N -4.25 1.40 -1.65 0.00 3.72 -0.31 -4.95 117.46 111.41 2gjk n PHE 829 Ca -0.02 -0.55 -0.43 0.00 -0.05 0.00 0.00 57.45 56.40 2gjk n PHE 829 Cb 0.29 -0.24 -0.03 0.00 -0.94 0.00 0.00 39.48 38.56 2gjk n PHE 829 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 2gjk n GLN 830 N 1.01 2.63 -1.03 -1.08 7.27 -1.07 -1.92 117.38 123.20 2gjk n GLN 830 Ca 0.24 0.94 -0.01 0.00 0.07 0.00 0.00 57.00 58.24 2gjk n GLN 830 Cb 0.84 -2.98 -0.00 0.00 2.41 0.00 0.00 30.24 30.50 2gjk n GLN 830 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2gjk n GLY 831 N 4.73 0.45 3.76 1.69 0.00 -1.26 -4.39 105.19 110.17 2gjk n GLY 831 Ca 0.22 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 2gjk n GLY 831 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gjk s ARG 832 N -0.84 2.17 -0.12 1.61 0.52 -0.81 -4.99 118.95 116.50 2gjk s ARG 832 Ca 0.00 -2.14 -0.09 0.00 -0.52 0.00 0.00 55.73 52.98 2gjk s ARG 832 Cb 0.00 -1.76 0.04 0.00 0.52 0.00 0.00 34.95 33.74 2gjk s ARG 832 CO 0.00 -0.29 0.31 -1.83 0.02 0.00 0.00 175.30 173.50 2gjk s GLU 833 N -3.93 0.32 0.23 3.54 -1.05 -1.26 -4.71 118.70 111.84 2gjk s GLU 833 Ca 0.25 0.52 0.11 0.00 -0.15 0.00 0.00 54.97 55.70 2gjk s GLU 833 Cb 0.03 0.06 -0.05 0.00 -0.44 0.00 0.00 34.13 33.73 2gjk s GLU 833 CO 0.14 -0.09 -0.19 0.15 0.95 0.00 0.00 175.26 176.21 2gjk s LYS 834 N 0.67 1.70 0.20 -4.83 -0.14 -1.00 -5.04 119.74 111.30 2gjk s LYS 834 Ca -0.04 -1.59 -0.09 0.00 -1.36 0.00 0.00 55.97 52.89 2gjk s LYS 834 Cb -0.05 -1.87 0.13 0.00 -1.68 0.00 0.00 37.83 34.35 2gjk s LYS 834 CO -0.04 0.37 1.76 -0.44 -0.76 0.00 0.00 175.35 176.23 2gjk h ASP 835 N 2.69 1.02 -3.93 2.83 3.32 -1.81 -2.20 116.42 118.34 2gjk h ASP 835 Ca -0.44 -0.18 -0.42 0.00 0.02 0.00 0.00 57.03 56.01 2gjk h ASP 835 Cb 1.23 -0.27 -0.30 0.00 0.22 0.00 0.00 39.33 40.22 2gjk h ASP 835 CO 0.54 0.93 -0.79 -0.36 -1.72 0.00 0.00 179.24 177.84 2gjk s PHE 836 N -5.52 0.94 0.06 4.55 0.40 -0.70 -1.08 117.98 116.63 2gjk s PHE 836 Ca -0.12 -0.21 0.09 0.00 -0.60 0.00 0.00 56.93 56.09 2gjk s PHE 836 Cb 0.15 -0.64 -0.03 0.00 0.51 0.00 0.00 43.02 43.00 2gjk s PHE 836 CO 0.83 -0.06 -0.25 0.42 0.70 0.00 0.00 175.22 176.86 2gjk s ILE 837 N 0.00 2.02 -0.19 0.64 1.09 -1.03 -1.36 121.20 122.39 2gjk s ILE 837 Ca -0.00 -1.42 0.00 0.00 -1.10 0.00 0.00 60.65 58.13 2gjk s ILE 837 Cb -0.07 -1.75 0.04 0.00 -1.06 0.00 0.00 42.46 39.62 2gjk s ILE 837 CO 0.00 0.25 -0.09 -0.63 -0.10 0.00 0.00 174.94 174.37 2gjk s ILE 838 N -0.87 1.51 0.37 2.92 1.01 -0.11 -1.47 121.20 124.55 2gjk s ILE 838 Ca 0.11 -0.88 -0.23 0.00 0.00 0.00 0.00 60.65 59.65 2gjk s ILE 838 Cb -0.10 -1.59 -0.10 0.00 0.01 0.00 0.00 42.46 40.68 2gjk s ILE 838 CO 0.03 0.19 0.94 -0.76 0.00 0.00 0.00 174.94 175.33 2gjk s LEU 839 N 1.46 4.14 -0.44 2.97 1.02 -0.63 -1.42 118.68 125.79 2gjk s LEU 839 Ca -0.00 1.74 0.03 0.00 0.02 0.00 0.00 54.13 55.92 2gjk s LEU 839 Cb -0.16 -4.26 0.15 0.00 0.02 0.00 0.00 46.19 41.95 2gjk s LEU 839 CO -0.08 -0.21 0.30 -0.55 0.02 0.00 0.00 176.35 175.83 2gjk s SER 840 N -1.91 2.81 -0.21 2.29 0.15 -0.17 -1.67 113.70 115.00 2gjk s SER 840 Ca 0.56 -2.83 -0.29 0.00 0.70 0.00 0.00 55.95 54.09 2gjk s SER 840 Cb -0.14 -0.73 -0.02 0.00 -1.71 0.00 0.00 66.02 63.43 2gjk s SER 840 CO 0.18 -0.22 1.48 0.00 1.20 0.00 0.00 173.24 175.88 2gjk h VAL 842 N 5.90 0.90 -1.38 0.00 2.07 -1.98 -3.41 116.25 118.35 2gjk h VAL 842 Ca -0.31 -1.47 -0.69 0.00 0.82 0.00 0.00 66.70 65.04 2gjk h VAL 842 Cb 1.13 1.63 -0.00 0.00 -1.52 0.00 0.00 31.29 32.54 2gjk h VAL 842 CO 1.00 0.28 1.16 0.54 0.02 0.00 0.00 177.57 180.56 2gjk n ARG 843 N -4.79 1.24 -0.66 1.57 1.74 -1.26 -4.76 116.66 109.75 2gjk n ARG 843 Ca -0.06 0.41 0.00 0.00 -0.77 0.00 0.00 57.85 57.43 2gjk n ARG 843 Cb 0.26 -2.31 0.22 0.00 -1.02 0.00 0.00 32.46 29.61 2gjk n ARG 843 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2gjk n ALA 844 N 7.46 3.79 -3.83 7.54 0.00 -1.26 -4.59 120.51 129.63 2gjk n ALA 844 Ca 0.33 -2.83 0.00 0.00 0.00 0.00 0.00 53.44 50.94 2gjk n ALA 844 Cb 0.19 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 18.91 2gjk n ALA 844 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2gjk n ASN 845 N -0.94 2.00 0.00 0.00 6.94 -1.26 -4.83 115.26 117.18 2gjk n ASN 845 Ca 0.29 -0.83 -0.20 0.00 -0.02 0.00 0.00 54.58 53.82 2gjk n ASN 845 Cb 0.98 0.00 -0.14 0.00 -2.36 0.00 0.00 39.78 38.26 2gjk n ASN 845 CO 0.00 0.00 0.00 -1.84 -1.03 0.00 0.00 177.26 174.39 2gjk n GLU 846 N -0.00 0.74 -1.42 -3.83 0.28 -1.26 -4.71 120.64 110.45 2gjk n GLU 846 Ca 0.00 0.27 -0.31 0.00 -0.16 0.00 0.00 57.16 56.96 2gjk n GLU 846 Cb 0.00 -1.72 0.07 0.00 1.43 0.00 0.00 31.44 31.22 2gjk n GLU 846 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 2gjk s HIS 847 N -2.56 2.85 0.72 -1.84 2.46 -1.26 -5.00 115.29 110.66 2gjk s HIS 847 Ca -0.20 1.48 -0.17 0.00 0.47 0.00 0.00 55.06 56.65 2gjk s HIS 847 Cb 0.07 -2.97 -0.11 0.00 -0.13 0.00 0.00 32.58 29.45 2gjk s HIS 847 CO 0.78 -1.52 -0.06 1.04 -2.47 0.00 0.00 174.74 172.51 2gjk n GLN 848 N -3.33 0.10 0.00 2.88 1.13 -1.26 -5.06 117.38 111.84 2gjk n GLN 848 Ca 0.08 0.05 0.00 0.00 -1.94 0.00 0.00 57.00 55.19 2gjk n GLN 848 Cb 0.53 -1.31 0.00 0.00 0.11 0.00 0.00 30.24 29.57 2gjk n GLN 848 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2gjk n GLY 849 N 2.43 1.47 2.00 1.08 0.00 -1.26 -5.09 105.19 105.82 2gjk n GLY 849 Ca 0.06 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.21 2gjk n GLY 849 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2gjk n ILE 850 N 0.00 0.00 0.00 -0.61 -5.35 -1.26 -4.82 119.36 107.32 2gjk n ILE 850 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2gjk n ILE 850 Cb 0.00 -0.47 0.00 0.00 -1.74 0.00 0.00 39.64 37.43 2gjk n ILE 850 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2gjk n GLY 851 N 1.34 1.17 0.00 3.28 0.00 -1.26 -4.59 105.19 105.14 2gjk n GLY 851 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 2gjk n GLY 851 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2gjk n PHE 852 N 0.00 0.00 0.07 1.61 1.16 -1.26 -2.95 117.46 116.10 2gjk n PHE 852 Ca 0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.44 2gjk n PHE 852 Cb 0.00 0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 37.73 2gjk n PHE 852 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 2gjk h LEU 853 N 0.00 0.29 -0.64 5.98 3.38 -1.95 -3.40 115.31 118.98 2gjk h LEU 853 Ca 0.00 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.62 2gjk h LEU 853 Cb 0.00 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.65 2gjk h LEU 853 CO 0.00 1.28 0.00 -0.46 0.09 0.00 0.00 178.44 179.35 2gjk n ASN 854 N -3.43 0.24 -4.29 -0.43 6.94 -1.22 -4.82 115.26 108.25 2gjk n ASN 854 Ca -0.10 -1.07 -0.36 0.00 -0.02 0.00 0.00 54.58 53.03 2gjk n ASN 854 Cb 1.01 0.00 -0.13 0.00 -2.36 0.00 0.00 39.78 38.30 2gjk n ASN 854 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2gjk s ASP 855 N -0.07 4.75 0.26 0.53 3.68 -1.15 -5.01 116.67 119.66 2gjk s ASP 855 Ca 0.00 -0.71 -0.02 0.00 2.13 0.00 0.00 52.55 53.95 2gjk s ASP 855 Cb 0.00 -1.79 0.46 0.00 -1.45 0.00 0.00 42.92 40.14 2gjk s ASP 855 CO 0.00 -0.14 1.83 -0.65 0.13 0.00 0.00 175.17 176.34 2gjk h PRO 856 N 8.14 0.91 -0.27 4.34 0.11 -1.92 -2.48 132.00 140.84 2gjk h PRO 856 Ca -0.33 -0.05 0.06 0.00 0.11 0.00 0.00 66.00 65.78 2gjk h PRO 856 Cb 1.13 -0.21 -0.06 0.00 0.11 0.00 0.00 31.00 31.97 2gjk h PRO 856 CO 0.59 0.60 -0.10 0.00 -0.21 0.00 0.00 178.00 178.88 2gjk h ARG 857 N 0.94 -0.05 -0.13 1.05 3.08 -1.89 -2.35 114.38 115.02 2gjk h ARG 857 Ca 0.44 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.40 2gjk h ARG 857 Cb 0.38 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 2gjk h ARG 857 CO -0.24 -0.03 -0.37 0.00 -1.07 0.00 0.00 179.97 178.26 2gjk h ARG 858 N -0.05 0.27 -0.16 0.04 3.08 -1.75 -2.44 114.38 113.37 2gjk h ARG 858 Ca 0.14 -0.12 -0.11 0.00 0.07 0.00 0.00 59.98 59.96 2gjk h ARG 858 Cb 0.26 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.30 2gjk h ARG 858 CO -0.30 0.61 -0.32 1.25 -1.07 0.00 0.00 179.97 180.14 2gjk h LEU 859 N 0.23 0.56 -0.46 3.04 5.85 -1.37 -1.60 115.31 121.56 2gjk h LEU 859 Ca 0.03 -0.55 0.09 0.00 0.84 0.00 0.00 57.88 58.28 2gjk h LEU 859 Cb 0.76 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 41.55 2gjk h LEU 859 CO 0.06 1.01 -0.04 -1.13 -0.34 0.00 0.00 178.44 178.00 2gjk h ASN 860 N 0.13 -0.27 -0.19 1.25 -0.00 -1.30 -0.23 115.58 114.97 2gjk h ASN 860 Ca 0.01 0.12 -0.08 0.00 -0.00 0.00 0.00 56.30 56.35 2gjk h ASN 860 Cb 0.91 0.22 -0.02 0.00 -0.00 0.00 0.00 38.32 39.44 2gjk h ASN 860 CO 0.07 -0.09 -0.11 0.58 -0.00 0.00 0.00 177.43 177.88 2gjk h VAL 861 N 0.07 1.24 -0.25 2.57 2.07 -1.42 -2.62 116.25 117.92 2gjk h VAL 861 Ca 0.23 -1.05 -0.10 0.00 0.82 0.00 0.00 66.70 66.60 2gjk h VAL 861 Cb 0.34 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 2gjk h VAL 861 CO -0.41 0.35 -0.28 0.00 0.02 0.00 0.00 177.57 177.25 2gjk h ALA 862 N 1.36 1.06 -0.01 1.67 0.00 -0.32 -3.06 119.26 119.96 2gjk h ALA 862 Ca 0.10 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2gjk h ALA 862 Cb 0.51 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2gjk h ALA 862 CO 0.03 0.57 -0.16 1.28 0.00 0.00 0.00 179.25 180.98 2gjk n LEU 863 N -4.10 0.90 -0.13 0.00 4.77 -0.19 -4.09 117.00 114.15 2gjk n LEU 863 Ca -0.01 -0.21 0.09 0.00 -0.03 0.00 0.00 56.01 55.86 2gjk n LEU 863 Cb 0.43 -0.12 0.14 0.00 -2.33 0.00 0.00 43.42 41.54 2gjk n LEU 863 CO 0.42 0.16 0.54 0.35 -1.33 0.00 0.00 177.39 177.54 2gjk n THR 864 N -0.62 1.88 0.01 -5.08 -2.24 -1.01 -4.61 114.28 102.61 2gjk n THR 864 Ca 0.14 -2.32 -0.05 0.00 -2.27 0.00 0.00 64.05 59.56 2gjk n THR 864 Cb 0.32 -0.22 -0.11 0.00 -2.10 0.00 0.00 70.33 68.22 2gjk n THR 864 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 2gjk h ARG 865 N 0.10 0.00 -6.95 -0.78 2.47 -1.71 -3.45 114.38 104.06 2gjk h ARG 865 Ca -0.00 0.00 -0.46 0.00 -1.26 0.00 0.00 59.98 58.26 2gjk h ARG 865 Cb 1.01 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.31 2gjk h ARG 865 CO 0.00 0.42 0.32 0.00 0.56 0.00 0.00 179.97 181.27 2gjk s ALA 866 N -2.75 3.14 -0.18 0.04 0.00 -1.26 -2.36 121.76 118.39 2gjk s ALA 866 Ca -0.04 0.43 -0.12 0.00 0.00 0.00 0.00 51.96 52.23 2gjk s ALA 866 Cb 0.08 -3.13 -0.08 0.00 0.00 0.00 0.00 23.12 19.99 2gjk s ALA 866 CO 0.82 0.17 -0.28 0.54 0.00 0.00 0.00 175.76 177.00 2gjk n ARG 867 N -0.05 0.45 -0.05 0.00 1.74 -0.83 -4.17 116.66 113.75 2gjk n ARG 867 Ca 0.04 0.19 -0.04 0.00 -0.77 0.00 0.00 57.85 57.27 2gjk n ARG 867 Cb 0.52 -1.26 -0.14 0.00 -1.02 0.00 0.00 32.46 30.55 2gjk n ARG 867 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2gjk n TYR 868 N -4.10 0.35 -3.65 -1.55 4.02 -0.24 -2.26 117.16 109.73 2gjk n TYR 868 Ca -0.31 0.12 -0.01 0.00 -0.01 0.00 0.00 57.90 57.69 2gjk n TYR 868 Cb 0.65 -0.97 -0.03 0.00 -0.02 0.00 0.00 39.34 38.97 2gjk n TYR 868 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 2gjk s GLY 869 N -5.13 0.04 0.01 2.72 0.00 -1.06 -4.69 107.32 99.20 2gjk s GLY 869 Ca -0.07 2.64 0.05 0.00 0.00 0.00 0.00 44.72 47.34 2gjk s GLY 869 CO 0.84 0.99 -0.14 0.54 0.00 0.00 0.00 173.10 175.33 2gjk s VAL 870 N -1.28 1.10 -0.14 1.40 0.11 -0.80 -2.47 120.40 118.33 2gjk s VAL 870 Ca 0.10 -0.77 -0.01 0.00 -2.93 0.00 0.00 61.98 58.38 2gjk s VAL 870 Cb -0.01 -0.95 0.03 0.00 -1.53 0.00 0.00 36.38 33.92 2gjk s VAL 870 CO -0.07 0.18 -0.06 -0.63 -3.33 0.00 0.00 175.10 171.19 2gjk s ILE 871 N -0.55 1.05 -0.13 7.04 1.01 -0.54 -3.11 121.20 125.96 2gjk s ILE 871 Ca 0.04 -0.45 -0.10 0.00 0.00 0.00 0.00 60.65 60.13 2gjk s ILE 871 Cb -0.06 -1.15 -0.05 0.00 0.01 0.00 0.00 42.46 41.20 2gjk s ILE 871 CO 0.00 0.24 0.21 -0.63 0.00 0.00 0.00 174.94 174.76 2gjk s ILE 872 N 1.68 5.37 -0.11 2.92 1.01 -0.93 -1.61 121.20 129.53 2gjk s ILE 872 Ca 0.03 0.38 0.02 0.00 0.00 0.00 0.00 60.65 61.07 2gjk s ILE 872 Cb -0.14 -3.52 0.02 0.00 0.01 0.00 0.00 42.46 38.83 2gjk s ILE 872 CO -0.08 0.52 -0.15 -0.69 0.00 0.00 0.00 174.94 174.53 2gjk s VAL 873 N -0.35 1.54 -1.24 2.92 1.01 -0.67 -0.63 120.40 122.98 2gjk s VAL 873 Ca 0.15 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.47 2gjk s VAL 873 Cb -0.13 -1.41 0.00 0.00 0.00 0.00 0.00 36.38 34.85 2gjk s VAL 873 CO 0.04 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.20 2gjk n GLY 874 N 4.26 -1.47 3.50 4.51 0.00 -1.15 -1.83 105.19 113.01 2gjk n GLY 874 Ca -0.19 -1.04 -0.43 0.00 0.00 0.00 0.00 46.02 44.37 2gjk n GLY 874 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2gjk s ASN 875 N -1.15 6.22 0.27 1.61 3.84 -1.24 -2.25 114.94 122.24 2gjk s ASN 875 Ca 0.00 -0.52 -0.00 0.00 0.21 0.00 0.00 52.86 52.55 2gjk s ASN 875 Cb 0.00 -2.24 0.52 0.00 -0.55 0.00 0.00 41.25 38.98 2gjk s ASN 875 CO 0.00 -0.58 1.81 -0.65 -2.79 0.00 0.00 177.10 174.90 2gjk h PRO 876 N 8.70 0.84 -0.16 0.43 0.11 -1.94 -2.32 132.00 137.66 2gjk h PRO 876 Ca -0.27 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.77 2gjk h PRO 876 Cb 1.11 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 2gjk h PRO 876 CO 0.80 0.56 0.02 0.87 -0.21 0.00 0.00 178.00 180.04 2gjk h LYS 877 N 0.87 0.26 -0.54 1.05 1.57 -1.99 -2.33 116.57 115.46 2gjk h LYS 877 Ca 0.47 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 59.07 2gjk h LYS 877 Cb 0.50 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 2gjk h LYS 877 CO -0.28 0.44 -0.08 0.00 -0.57 0.00 0.00 179.45 178.95 2gjk h ALA 878 N 0.81 0.84 0.00 3.86 0.00 -1.79 -2.69 119.26 120.29 2gjk h ALA 878 Ca 0.05 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2gjk h ALA 878 Cb 0.31 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2gjk h ALA 878 CO 0.00 0.66 0.00 -0.07 0.00 0.00 0.00 179.25 179.84 2gjk h LEU 879 N 0.88 0.00 -1.69 0.00 3.38 -1.47 -3.30 115.31 113.12 2gjk h LEU 879 Ca 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 2gjk h LEU 879 Cb 0.63 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 2gjk h LEU 879 CO 0.04 0.00 0.10 -1.28 0.09 0.00 0.00 178.44 177.39 2gjk h SER 880 N 0.00 0.26 -0.60 -0.43 0.87 -1.06 -3.34 113.55 109.25 2gjk h SER 880 Ca 0.00 -0.02 -0.62 0.00 -1.23 0.00 0.00 61.79 59.93 2gjk h SER 880 Cb 0.70 -0.07 -0.06 0.00 -0.44 0.00 0.00 62.40 62.53 2gjk h SER 880 CO 0.00 0.24 2.14 1.17 -0.53 0.00 0.00 176.83 179.85 2gjk n LYS 881 N -4.46 2.75 0.00 2.24 4.81 -1.24 -4.36 118.16 117.89 2gjk n LYS 881 Ca 0.00 -2.94 0.00 0.00 -0.87 0.00 0.00 58.31 54.50 2gjk n LYS 881 Cb 0.11 -3.48 0.00 0.00 0.02 0.00 0.00 35.03 31.68 2gjk n LYS 881 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 2gjk n GLN 882 N 7.94 0.00 -0.34 1.64 0.00 -1.25 -5.04 117.38 120.34 2gjk n GLN 882 Ca 0.49 0.00 0.19 0.00 -0.00 0.00 0.00 57.00 57.68 2gjk n GLN 882 Cb 0.45 0.00 0.43 0.00 0.00 0.00 0.00 30.24 31.12 2gjk n GLN 882 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.06 175.71 2gjk h PRO 883 N 0.00 0.50 -0.22 3.69 0.11 -1.91 -0.57 132.00 133.60 2gjk h PRO 883 Ca 0.00 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 66.00 2gjk h PRO 883 Cb 0.00 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 30.99 2gjk h PRO 883 CO 0.00 0.33 -0.16 1.25 -0.21 0.00 0.00 178.00 179.21 2gjk h LEU 884 N 0.51 0.52 -0.45 2.35 5.85 -1.95 -3.02 115.31 119.13 2gjk h LEU 884 Ca 0.62 -0.44 -0.07 0.00 0.84 0.00 0.00 57.88 58.83 2gjk h LEU 884 Cb 1.33 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 2gjk h LEU 884 CO -0.40 0.85 -0.32 -0.50 -0.34 0.00 0.00 178.44 177.73 2gjk h TRP 885 N 0.19 0.00 0.00 1.25 4.06 -1.64 -2.95 115.95 116.87 2gjk h TRP 885 Ca 0.04 0.00 -0.13 0.00 2.06 0.00 0.00 58.89 60.86 2gjk h TRP 885 Cb 0.68 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.82 2gjk h TRP 885 CO 0.07 0.32 -0.63 -2.95 -3.56 0.00 0.00 178.44 171.69 2gjk h ASN 886 N 0.00 0.00 -0.34 -3.49 -1.07 -1.15 -2.47 115.58 107.06 2gjk h ASN 886 Ca -0.00 0.00 -0.13 0.00 0.07 0.00 0.00 56.30 56.23 2gjk h ASN 886 Cb 1.07 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.32 2gjk h ASN 886 CO 0.04 0.63 -0.30 0.45 0.07 0.00 0.00 177.43 178.32 2gjk h HIS 887 N 0.00 0.96 -0.32 4.14 3.86 -1.47 -2.67 115.15 119.66 2gjk h HIS 887 Ca -0.01 -0.28 0.03 0.00 -1.16 0.00 0.00 60.37 58.96 2gjk h HIS 887 Cb 1.19 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 29.42 2gjk h HIS 887 CO 0.00 1.06 0.12 1.25 0.86 0.00 0.00 177.93 181.21 2gjk h LEU 888 N 0.59 0.13 -0.98 2.43 7.12 -1.35 -1.57 115.31 121.68 2gjk h LEU 888 Ca 0.06 0.03 -0.09 0.00 0.13 0.00 0.00 57.88 58.01 2gjk h LEU 888 Cb 0.88 0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 41.01 2gjk h LEU 888 CO 0.08 0.11 -0.25 -0.07 -0.13 0.00 0.00 178.44 178.18 2gjk h LEU 889 N 0.26 0.45 0.18 2.25 3.38 -1.49 -2.23 115.31 118.10 2gjk h LEU 889 Ca 0.14 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2gjk h LEU 889 Cb 0.11 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2gjk h LEU 889 CO -0.14 0.70 -0.09 0.78 0.09 0.00 0.00 178.44 179.78 2gjk h ASN 890 N 0.40 -0.20 -0.48 -0.43 2.35 -1.11 -2.15 115.58 113.95 2gjk h ASN 890 Ca 0.06 -0.19 -0.01 0.00 -0.55 0.00 0.00 56.30 55.61 2gjk h ASN 890 Cb 0.65 0.05 -0.03 0.00 0.05 0.00 0.00 38.32 39.05 2gjk h ASN 890 CO 0.05 0.09 0.27 0.22 -1.65 0.00 0.00 177.43 176.40 2gjk h TYR 891 N -0.50 0.68 -0.07 1.19 3.20 -1.22 -1.44 116.97 118.81 2gjk h TYR 891 Ca -0.02 -0.01 -0.16 0.00 3.14 0.00 0.00 58.73 61.68 2gjk h TYR 891 Cb 0.38 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 2gjk h TYR 891 CO 0.01 0.48 -0.66 1.88 -1.64 0.00 0.00 178.16 178.23 2gjk h TYR 892 N 0.70 0.40 -0.11 -3.82 -1.99 -1.40 -2.69 116.97 108.06 2gjk h TYR 892 Ca 0.18 -0.17 -0.13 0.00 2.00 0.00 0.00 58.73 60.62 2gjk h TYR 892 Cb 0.03 -0.07 -0.01 0.00 2.00 0.00 0.00 36.73 38.69 2gjk h TYR 892 CO 0.00 0.87 -0.50 -0.22 -0.00 0.00 0.00 178.16 178.32 2gjk h LYS 893 N 0.21 0.28 0.00 4.88 3.64 -0.78 -1.36 116.57 123.44 2gjk h LYS 893 Ca -0.02 -0.16 -0.12 0.00 -1.27 0.00 0.00 60.65 59.09 2gjk h LYS 893 Cb 1.20 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.02 2gjk h LYS 893 CO 0.11 0.72 -0.57 0.93 -2.27 0.00 0.00 179.45 178.37 2gjk h GLU 894 N 0.22 0.00 -0.26 1.90 5.08 -1.16 -2.81 114.58 117.56 2gjk h GLU 894 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2gjk h GLU 894 Cb 0.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.21 2gjk h GLU 894 CO 0.08 0.57 0.00 1.04 -1.00 0.00 0.00 179.01 179.70 2gjk n GLN 895 N -3.81 1.82 -3.40 2.33 1.13 -1.03 -4.94 117.38 109.48 2gjk n GLN 895 Ca -0.01 -1.25 -0.19 0.00 -1.94 0.00 0.00 57.00 53.61 2gjk n GLN 895 Cb 0.58 -1.36 0.07 0.00 0.11 0.00 0.00 30.24 29.64 2gjk n GLN 895 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2gjk n LYS 896 N 0.48 -6.66 -0.03 -1.09 4.01 -1.06 -4.93 118.16 108.88 2gjk n LYS 896 Ca 0.15 0.74 0.01 0.00 -0.51 0.00 0.00 58.31 58.70 2gjk n LYS 896 Cb 0.34 -5.48 0.01 0.00 -0.51 0.00 0.00 35.03 29.39 2gjk n LYS 896 CO 0.00 0.00 0.00 1.33 -1.11 0.00 0.00 177.40 177.62 2gjk n VAL 897 N -4.40 0.71 -2.88 -0.18 0.24 -0.52 -4.74 118.33 106.54 2gjk n VAL 897 Ca -0.08 -0.74 -0.44 0.00 -2.04 0.00 0.00 64.34 61.05 2gjk n VAL 897 Cb 0.58 0.59 -0.01 0.00 -1.47 0.00 0.00 33.84 33.53 2gjk n VAL 897 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2gjk s LEU 898 N -0.80 4.85 0.50 1.34 0.20 -1.17 -1.92 118.68 121.68 2gjk s LEU 898 Ca 0.03 -2.40 0.06 0.00 0.69 0.00 0.00 54.13 52.50 2gjk s LEU 898 Cb 0.03 -2.43 0.01 0.00 -0.43 0.00 0.00 46.19 43.37 2gjk s LEU 898 CO 0.00 -0.98 0.30 0.68 -0.29 0.00 0.00 176.35 176.07 2gjk s VAL 899 N 2.53 1.86 -0.10 1.68 -7.23 -1.07 -0.42 120.40 117.64 2gjk s VAL 899 Ca 0.39 -1.58 -0.30 0.00 -1.81 0.00 0.00 61.98 58.68 2gjk s VAL 899 Cb -0.03 -2.44 0.08 0.00 0.56 0.00 0.00 36.38 34.56 2gjk s VAL 899 CO -0.05 0.00 0.77 -1.83 -0.31 0.00 0.00 175.10 173.68 2gjk s GLU 900 N -4.13 0.92 0.07 4.82 -1.05 -1.02 -1.80 118.70 116.51 2gjk s GLU 900 Ca 0.34 0.31 0.00 0.00 -0.15 0.00 0.00 54.97 55.46 2gjk s GLU 900 Cb -0.00 0.44 0.00 0.00 -0.44 0.00 0.00 34.13 34.12 2gjk s GLU 900 CO 0.20 -0.27 0.00 0.41 0.95 0.00 0.00 175.26 176.55 2gjk n GLY 901 N 1.06 -3.80 3.57 -3.83 0.00 -1.26 -3.60 105.19 97.32 2gjk n GLY 901 Ca -0.16 -0.79 -0.45 0.00 0.00 0.00 0.00 46.02 44.61 2gjk n GLY 901 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2gjk n PRO 902 N -0.07 1.18 -3.04 1.61 -0.02 -1.26 -2.80 135.00 130.60 2gjk n PRO 902 Ca 0.00 0.41 -0.05 0.00 -2.02 0.00 0.00 63.50 61.84 2gjk n PRO 902 Cb 0.00 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 2gjk n PRO 902 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2gjk n LEU 903 N 1.39 -6.79 -5.00 2.45 4.32 -1.26 -4.98 117.00 107.13 2gjk n LEU 903 Ca 0.11 0.09 -0.20 0.00 -0.02 0.00 0.00 56.01 55.99 2gjk n LEU 903 Cb 0.30 -3.20 0.04 0.00 -1.62 0.00 0.00 43.42 38.95 2gjk n LEU 903 CO 0.60 -1.43 0.31 0.54 -1.22 0.00 0.00 177.39 176.19 2gjk s ASN 904 N -2.81 5.23 0.15 -1.43 4.22 -1.12 -5.08 114.94 114.09 2gjk s ASN 904 Ca 0.10 -0.42 -0.14 0.00 -2.14 0.00 0.00 52.86 50.26 2gjk s ASN 904 Cb -0.03 -0.38 0.02 0.00 1.28 0.00 0.00 41.25 42.15 2gjk s ASN 904 CO 0.77 -1.17 0.40 0.21 -2.04 0.00 0.00 177.10 175.27 2gjk s ASN 905 N -4.51 -0.15 0.94 3.54 3.84 -1.24 -4.94 114.94 112.42 2gjk s ASN 905 Ca 0.59 -0.52 -0.16 0.00 0.21 0.00 0.00 52.86 52.99 2gjk s ASN 905 Cb -0.08 0.49 -0.08 0.00 -0.55 0.00 0.00 41.25 41.02 2gjk s ASN 905 CO 0.38 -0.92 -0.28 0.18 -2.79 0.00 0.00 177.10 173.67 2gjk n LEU 906 N -0.24 -3.55 -3.99 3.21 4.77 -1.26 -2.42 117.00 113.50 2gjk n LEU 906 Ca -0.12 0.28 -0.12 0.00 -0.03 0.00 0.00 56.01 56.02 2gjk n LEU 906 Cb 0.63 -0.94 -0.12 0.00 -2.33 0.00 0.00 43.42 40.66 2gjk n LEU 906 CO 0.19 -5.00 -0.38 -0.60 -1.33 0.00 0.00 177.39 170.27 2gjk s ARG 907 N -2.52 0.37 0.00 3.23 6.06 0.44 -4.70 118.95 121.82 2gjk s ARG 907 Ca 0.48 -0.53 0.27 0.00 -2.50 0.00 0.00 55.73 53.46 2gjk s ARG 907 Cb -0.22 -0.14 0.88 0.00 0.06 0.00 0.00 34.95 35.53 2gjk s ARG 907 CO 0.75 0.02 1.65 0.39 -2.50 0.00 0.00 175.30 175.61