#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uwx s SER 106 N 0.00 7.15 -0.02 7.28 0.01 -1.26 -4.24 113.70 122.61 2uwx s SER 106 Ca 0.00 1.82 0.04 0.00 1.31 0.00 0.00 55.95 59.12 2uwx s SER 106 Cb 0.00 -2.57 -0.01 0.00 0.21 0.00 0.00 66.02 63.65 2uwx s SER 106 CO 0.00 -0.21 -0.14 -1.61 0.41 0.00 0.00 173.24 171.69 2uwx s GLU 107 N -2.45 1.24 -0.17 12.44 2.02 0.38 -0.54 118.70 131.62 2uwx s GLU 107 Ca 0.55 -0.50 -0.08 0.00 0.02 0.00 0.00 54.97 54.96 2uwx s GLU 107 Cb -0.16 -1.17 -0.04 0.00 0.10 0.00 0.00 34.13 32.86 2uwx s GLU 107 CO 0.21 0.27 0.08 0.42 0.02 0.00 0.00 175.26 176.27 2uwx s ILE 108 N -0.21 4.99 0.15 -1.63 1.01 -0.68 -0.04 121.20 124.79 2uwx s ILE 108 Ca 0.03 0.03 0.09 0.00 0.00 0.00 0.00 60.65 60.80 2uwx s ILE 108 Cb -0.07 -3.24 -0.04 0.00 0.01 0.00 0.00 42.46 39.12 2uwx s ILE 108 CO -0.00 0.48 -0.20 0.42 0.00 0.00 0.00 174.94 175.64 2uwx s THR 109 N 0.14 1.89 1.11 2.92 -4.23 0.87 0.11 115.64 118.45 2uwx s THR 109 Ca 0.06 -1.81 -0.12 0.00 -1.18 0.00 0.00 61.69 58.64 2uwx s THR 109 Cb -0.12 -1.81 0.25 0.00 1.34 0.00 0.00 72.50 72.17 2uwx s THR 109 CO 0.00 -0.19 1.05 -0.31 -0.54 0.00 0.00 174.62 174.64 2uwx s TYR 110 N -1.67 1.44 0.09 3.99 2.02 0.10 -1.36 117.35 121.95 2uwx s TYR 110 Ca 0.14 1.31 -0.06 0.00 -0.37 0.00 0.00 57.07 58.09 2uwx s TYR 110 Cb -0.08 -3.15 0.10 0.00 -0.40 0.00 0.00 41.96 38.43 2uwx s TYR 110 CO 0.06 -3.62 0.56 0.43 -1.57 0.00 0.00 175.55 171.42 2uwx n SER 111 N -4.75 -0.22 -0.45 2.29 7.64 0.78 -1.72 113.62 117.19 2uwx n SER 111 Ca 0.05 0.63 0.14 0.00 1.01 0.00 0.00 58.87 60.70 2uwx n SER 111 Cb 0.54 -0.15 0.53 0.00 -1.01 0.00 0.00 64.21 64.12 2uwx n SER 111 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2uwx n ASP 112 N -4.54 1.41 0.00 6.43 5.68 -1.26 -4.89 116.55 119.37 2uwx n ASP 112 Ca 0.04 -1.44 0.00 0.00 -0.50 0.00 0.00 54.79 52.89 2uwx n ASP 112 Cb 0.15 0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.14 2uwx n ASP 112 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2uwx n GLY 113 N 1.18 0.20 3.77 6.12 0.00 -0.70 -5.06 105.19 110.69 2uwx n GLY 113 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 2uwx n GLY 113 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2uwx s THR 114 N -2.00 2.34 -0.06 2.61 2.01 -1.26 -4.74 115.64 114.53 2uwx s THR 114 Ca 0.00 0.33 -0.29 0.00 0.31 0.00 0.00 61.69 62.04 2uwx s THR 114 Cb 0.00 -3.21 -0.02 0.00 0.01 0.00 0.00 72.50 69.28 2uwx s THR 114 CO 0.00 0.08 0.98 -0.69 -0.69 0.00 0.00 174.62 174.30 2uwx s VAL 115 N -1.15 4.83 -0.08 3.82 1.01 -1.26 0.03 120.40 127.61 2uwx s VAL 115 Ca 0.52 2.02 -0.05 0.00 0.00 0.00 0.00 61.98 64.47 2uwx s VAL 115 Cb -0.43 -4.30 -0.03 0.00 0.00 0.00 0.00 36.38 31.62 2uwx s VAL 115 CO 0.58 0.08 0.21 0.40 0.00 0.00 0.00 175.10 176.36 2uwx h ILE 116 N 4.97 0.00 -3.54 2.22 2.04 0.46 -3.46 117.51 120.21 2uwx h ILE 116 Ca -0.35 -0.86 -0.04 0.00 1.00 0.00 0.00 64.86 64.60 2uwx h ILE 116 Cb 1.18 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 37.16 2uwx h ILE 116 CO 0.81 0.00 -0.08 0.00 0.00 0.00 0.00 178.15 178.88 2uwx s ALA 117 N -3.01 -0.49 0.33 1.87 0.00 -1.08 -5.01 121.76 114.36 2uwx s ALA 117 Ca -0.03 -0.63 -0.11 0.00 0.00 0.00 0.00 51.96 51.19 2uwx s ALA 117 Cb 0.00 0.95 -0.07 0.00 0.00 0.00 0.00 23.12 24.00 2uwx s ALA 117 CO 0.08 -0.82 0.68 -1.12 0.00 0.00 0.00 175.76 174.59 2uwx s SER 118 N -2.96 6.61 -0.19 0.00 0.01 -1.26 -1.69 113.70 114.22 2uwx s SER 118 Ca 0.17 1.07 0.01 0.00 1.31 0.00 0.00 55.95 58.50 2uwx s SER 118 Cb -0.00 -2.29 0.04 0.00 0.21 0.00 0.00 66.02 63.97 2uwx s SER 118 CO 0.04 -0.24 -0.10 -0.63 0.41 0.00 0.00 173.24 172.71 2uwx s ILE 119 N -2.10 1.56 0.00 1.44 1.01 0.30 -4.93 121.20 118.48 2uwx s ILE 119 Ca 0.50 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 60.23 2uwx s ILE 119 Cb -0.10 -1.64 0.00 0.00 0.01 0.00 0.00 42.46 40.73 2uwx s ILE 119 CO 0.25 0.19 0.15 0.47 0.00 0.00 0.00 174.94 176.00 2uwx n ASP 337 N 4.72 0.00 -0.04 3.58 8.00 -1.26 -4.78 116.55 126.76 2uwx n ASP 337 Ca -0.14 -0.77 0.03 0.00 0.71 0.00 0.00 54.79 54.62 2uwx n ASP 337 Cb 0.47 0.00 0.37 0.00 -0.02 0.00 0.00 41.12 41.94 2uwx n ASP 337 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 2uwx h TYR 338 N 0.00 0.61 -0.35 1.24 0.05 -1.99 -2.40 116.97 114.13 2uwx h TYR 338 Ca 0.00 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.71 2uwx h TYR 338 Cb 0.77 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 38.29 2uwx h TYR 338 CO -0.09 0.41 -0.06 1.25 -1.05 0.00 0.00 178.16 178.63 2uwx h LEU 339 N 0.64 0.66 0.37 3.88 5.85 -1.99 -1.50 115.31 123.22 2uwx h LEU 339 Ca 0.17 -0.35 -0.02 0.00 0.84 0.00 0.00 57.88 58.52 2uwx h LEU 339 Cb -0.01 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.84 2uwx h LEU 339 CO -0.03 0.85 -0.18 0.22 -0.34 0.00 0.00 178.44 178.96 2uwx h TYR 340 N 0.45 -0.46 -0.16 1.25 5.03 -1.96 -2.44 116.97 118.68 2uwx h TYR 340 Ca 0.09 -0.01 -0.07 0.00 2.58 0.00 0.00 58.73 61.32 2uwx h TYR 340 Cb 0.55 0.15 -0.01 0.00 1.55 0.00 0.00 36.73 38.97 2uwx h TYR 340 CO 0.05 -0.17 -0.23 0.74 -1.32 0.00 0.00 178.16 177.22 2uwx h PHE 341 N -0.71 0.30 0.08 -3.82 0.04 -1.48 -0.23 116.94 111.13 2uwx h PHE 341 Ca -0.05 -0.05 -0.00 0.00 2.80 0.00 0.00 57.97 60.66 2uwx h PHE 341 Cb 0.50 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.57 2uwx h PHE 341 CO -0.00 0.50 -0.04 1.15 -0.60 0.00 0.00 178.31 179.32 2uwx h THR 342 N 0.25 1.19 -0.65 -1.55 2.02 -1.22 -1.79 112.91 111.15 2uwx h THR 342 Ca 0.04 -1.24 -0.05 0.00 0.77 0.00 0.00 66.41 65.94 2uwx h THR 342 Cb 0.56 1.96 -0.03 0.00 -1.74 0.00 0.00 68.15 68.89 2uwx h THR 342 CO 0.04 0.29 0.21 0.71 0.37 0.00 0.00 175.52 177.14 2uwx h THR 343 N -0.70 1.24 0.08 3.16 1.35 -1.45 -1.94 112.91 114.65 2uwx h THR 343 Ca -0.01 -0.81 -0.00 0.00 -0.55 0.00 0.00 66.41 65.03 2uwx h THR 343 Cb 0.56 0.51 0.00 0.00 -1.73 0.00 0.00 68.15 67.49 2uwx h THR 343 CO 0.02 0.32 -0.04 0.25 -0.25 0.00 0.00 175.52 175.81 2uwx h LEU 344 N 0.96 -0.10 -0.87 3.87 5.85 -1.08 0.25 115.31 124.20 2uwx h LEU 344 Ca 0.22 -0.17 0.08 0.00 0.84 0.00 0.00 57.88 58.85 2uwx h LEU 344 Cb 0.26 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.24 2uwx h LEU 344 CO -0.01 0.12 0.52 0.00 -0.34 0.00 0.00 178.44 178.73 2uwx h ALA 345 N 0.59 1.23 -0.12 1.25 0.00 -1.25 -0.01 119.26 120.95 2uwx h ALA 345 Ca -0.01 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 2uwx h ALA 345 Cb 0.26 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2uwx h ALA 345 CO 0.02 0.21 -0.28 1.49 0.00 0.00 0.00 179.25 180.69 2uwx h GLU 346 N 0.91 0.40 -0.94 0.00 4.57 -1.27 -2.60 114.58 115.65 2uwx h GLU 346 Ca 0.40 -0.27 0.17 0.00 -1.18 0.00 0.00 59.36 58.49 2uwx h GLU 346 Cb 0.29 0.04 -0.10 0.00 -0.16 0.00 0.00 28.75 28.81 2uwx h GLU 346 CO -0.21 0.88 0.54 0.00 -1.18 0.00 0.00 179.01 179.03 2uwx h ALA 347 N 0.52 1.51 -0.44 2.92 0.00 -0.38 -1.95 119.26 121.44 2uwx h ALA 347 Ca -0.00 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 2uwx h ALA 347 Cb 0.88 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2uwx h ALA 347 CO 0.06 -0.07 -0.02 1.96 0.00 0.00 0.00 179.25 181.18 2uwx h GLN 348 N 0.70 0.73 -0.44 0.00 4.20 -0.92 0.12 115.11 119.49 2uwx h GLN 348 Ca 0.54 -0.19 -0.11 0.00 0.06 0.00 0.00 58.65 58.94 2uwx h GLN 348 Cb 0.81 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.49 2uwx h GLN 348 CO -0.38 0.75 -0.16 0.93 -0.67 0.00 0.00 178.83 179.30 2uwx h GLU 349 N 0.68 0.89 -0.57 1.46 5.08 -1.04 0.21 114.58 121.28 2uwx h GLU 349 Ca 0.13 -0.36 -0.02 0.00 -1.00 0.00 0.00 59.36 58.11 2uwx h GLU 349 Cb 0.45 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 2uwx h GLU 349 CO 0.02 1.01 0.30 0.00 -1.00 0.00 0.00 179.01 179.34 2uwx h ARG 350 N 0.72 0.81 -0.70 2.33 2.47 -0.75 -2.76 114.38 116.49 2uwx h ARG 350 Ca 0.10 -0.11 0.01 0.00 -1.26 0.00 0.00 59.98 58.72 2uwx h ARG 350 Cb 0.72 -0.15 -0.03 0.00 -1.65 0.00 0.00 29.97 28.85 2uwx h ARG 350 CO 0.05 0.64 0.46 1.98 0.56 0.00 0.00 179.97 183.66 2uwx h MET 351 N 0.77 0.92 -0.30 0.04 4.05 -0.59 -2.18 114.93 117.65 2uwx h MET 351 Ca 0.20 -0.06 0.06 0.00 -0.28 0.00 0.00 59.70 59.62 2uwx h MET 351 Cb 0.08 -0.21 -0.06 0.00 -0.80 0.00 0.00 31.60 30.61 2uwx h MET 351 CO -0.03 0.62 -0.09 -0.92 0.23 0.00 0.00 176.91 176.72 2uwx h TYR 352 N 0.95 -0.21 -0.49 1.39 5.03 -0.45 -0.21 116.97 122.98 2uwx h TYR 352 Ca 0.25 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.58 2uwx h TYR 352 Cb -0.10 0.14 -0.02 0.00 1.55 0.00 0.00 36.73 38.30 2uwx h TYR 352 CO -0.02 -0.15 0.24 -0.44 -1.32 0.00 0.00 178.16 176.47 2uwx h ASP 353 N -0.03 0.64 -0.22 -2.11 3.32 -1.20 -2.07 116.42 114.76 2uwx h ASP 353 Ca 0.15 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 2uwx h ASP 353 Cb 0.25 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 2uwx h ASP 353 CO -0.33 0.59 0.08 0.22 -1.72 0.00 0.00 179.24 178.08 2uwx h TYR 354 N 0.65 0.33 -0.42 4.55 5.03 -1.10 -2.64 116.97 123.37 2uwx h TYR 354 Ca 0.17 -0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.45 2uwx h TYR 354 Cb 0.11 -0.10 -0.02 0.00 1.55 0.00 0.00 36.73 38.27 2uwx h TYR 354 CO -0.01 0.37 0.25 -0.07 -1.32 0.00 0.00 178.16 177.39 2uwx h LEU 355 N 0.20 0.52 -0.43 2.82 3.38 -0.96 0.94 115.31 121.76 2uwx h LEU 355 Ca 0.07 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2uwx h LEU 355 Cb 0.18 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2uwx h LEU 355 CO -0.01 0.43 0.15 0.00 0.09 0.00 0.00 178.44 179.10 2uwx h ALA 356 N 1.11 0.57 -0.32 1.53 0.00 -1.43 -1.14 119.26 119.57 2uwx h ALA 356 Ca 0.15 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2uwx h ALA 356 Cb 0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2uwx h ALA 356 CO -0.03 0.20 0.10 0.37 0.00 0.00 0.00 179.25 179.89 2uwx h GLN 357 N 0.56 0.50 -0.38 0.00 4.15 -1.44 0.46 115.11 118.96 2uwx h GLN 357 Ca 0.14 -0.11 0.06 0.00 0.77 0.00 0.00 58.65 59.51 2uwx h GLN 357 Cb 0.24 -0.07 -0.05 0.00 0.21 0.00 0.00 27.48 27.80 2uwx h GLN 357 CO -0.01 0.55 0.04 -0.09 -1.93 0.00 0.00 178.83 177.39 2uwx h ARG 358 N 0.36 0.15 0.00 1.69 2.43 -0.57 -0.95 114.38 117.49 2uwx h ARG 358 Ca 0.10 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2uwx h ARG 358 Cb 0.26 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 2uwx h ARG 358 CO -0.00 0.10 0.00 -0.25 -1.51 0.00 0.00 179.97 178.31 2uwx n ASP 359 N -5.13 0.00 -2.90 -3.80 9.92 -0.45 -4.89 116.55 109.30 2uwx n ASP 359 Ca 0.02 -0.99 -0.22 0.00 -0.53 0.00 0.00 54.79 53.08 2uwx n ASP 359 Cb 0.18 0.00 0.03 0.00 -0.64 0.00 0.00 41.12 40.69 2uwx n ASP 359 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2uwx n ASN 360 N -0.87 -6.04 -4.66 -2.24 4.13 -0.36 -4.97 115.26 100.25 2uwx n ASN 360 Ca 0.14 -0.26 -0.43 0.00 1.68 0.00 0.00 54.58 55.71 2uwx n ASN 360 Cb 0.06 -4.87 -0.02 0.00 -1.54 0.00 0.00 39.78 33.41 2uwx n ASN 360 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2uwx s VAL 361 N -3.16 4.04 0.81 2.41 1.01 0.10 -5.03 120.40 120.59 2uwx s VAL 361 Ca 0.27 1.25 -0.11 0.00 0.00 0.00 0.00 61.98 63.40 2uwx s VAL 361 Cb -0.12 -3.83 0.08 0.00 0.00 0.00 0.00 36.38 32.51 2uwx s VAL 361 CO 0.34 -0.13 1.09 -0.94 0.00 0.00 0.00 175.10 175.46 2uwx s SER 362 N 2.51 4.17 0.21 3.32 1.04 -1.26 -4.63 113.70 119.07 2uwx s SER 362 Ca 0.61 1.66 -0.10 0.00 0.48 0.00 0.00 55.95 58.61 2uwx s SER 362 Cb -0.25 -2.37 0.31 0.00 0.10 0.00 0.00 66.02 63.81 2uwx s SER 362 CO 0.20 -2.22 1.69 0.00 0.98 0.00 0.00 173.24 173.89 2uwx h ALA 363 N -1.26 0.71 0.47 5.32 0.00 -1.98 0.17 119.26 122.70 2uwx h ALA 363 Ca -0.46 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 2uwx h ALA 363 Cb 1.25 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 2uwx h ALA 363 CO 0.53 -0.33 -0.32 1.57 0.00 0.00 0.00 179.25 180.70 2uwx h LYS 364 N 0.22 -0.74 -0.75 0.00 -0.00 -2.01 -2.48 116.57 110.81 2uwx h LYS 364 Ca 0.33 0.05 0.07 0.00 -0.00 0.00 0.00 60.65 61.10 2uwx h LYS 364 Cb 0.51 0.17 -0.05 0.00 -0.00 0.00 0.00 32.23 32.86 2uwx h LYS 364 CO -0.44 -0.50 0.49 0.93 -0.00 0.00 0.00 179.45 179.94 2uwx h GLU 365 N -0.77 0.75 -0.03 0.07 5.08 -1.88 -0.48 114.58 117.32 2uwx h GLU 365 Ca -0.05 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2uwx h GLU 365 Cb 0.65 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 2uwx h GLU 365 CO 0.03 0.49 0.03 -0.07 -1.00 0.00 0.00 179.01 178.49 2uwx h LEU 366 N 0.77 0.00 -2.00 1.33 3.38 -0.32 -2.65 115.31 115.82 2uwx h LEU 366 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 2uwx h LEU 366 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2uwx h LEU 366 CO -0.11 0.00 0.00 0.11 0.09 0.00 0.00 178.44 178.53 2uwx h LYS 367 N 0.00 0.00 -6.31 1.13 1.57 -0.63 -3.40 116.57 108.92 2uwx h LYS 367 Ca 0.01 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.24 2uwx h LYS 367 Cb 0.07 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 2uwx h LYS 367 CO -0.00 0.00 0.79 1.21 -0.57 0.00 0.00 179.45 180.88 2uwx s ASN 368 N -4.94 6.94 0.25 0.86 2.47 -1.00 -4.94 114.94 114.59 2uwx s ASN 368 Ca -0.02 1.93 -0.06 0.00 0.42 0.00 0.00 52.86 55.14 2uwx s ASN 368 Cb 0.10 -2.56 0.26 0.00 -1.45 0.00 0.00 41.25 37.60 2uwx s ASN 368 CO 0.40 -0.67 1.90 -0.33 -3.72 0.00 0.00 177.10 174.67 2uwx h GLU 369 N 7.78 1.27 -0.37 0.43 3.07 -1.89 -1.10 114.58 123.77 2uwx h GLU 369 Ca -0.35 -0.11 -0.05 0.00 -0.50 0.00 0.00 59.36 58.35 2uwx h GLU 369 Cb 1.16 -0.27 -0.01 0.00 -0.84 0.00 0.00 28.75 28.79 2uwx h GLU 369 CO 0.90 0.88 0.03 0.00 -1.40 0.00 0.00 179.01 179.43 2uwx h ALA 370 N 1.34 0.50 -0.48 3.43 0.00 -1.96 -1.44 119.26 120.65 2uwx h ALA 370 Ca 0.34 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2uwx h ALA 370 Cb -0.07 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2uwx h ALA 370 CO -0.06 0.24 0.31 1.15 0.00 0.00 0.00 179.25 180.88 2uwx h THR 371 N 0.47 1.13 -0.91 0.00 2.02 -1.84 -1.24 112.91 112.54 2uwx h THR 371 Ca 0.11 -0.26 0.01 0.00 0.77 0.00 0.00 66.41 67.04 2uwx h THR 371 Cb 0.42 0.45 -0.05 0.00 -1.74 0.00 0.00 68.15 67.23 2uwx h THR 371 CO 0.01 0.13 0.60 1.56 0.37 0.00 0.00 175.52 178.19 2uwx h GLN 372 N 0.64 1.20 -0.34 6.66 4.20 -1.09 -1.55 115.11 124.83 2uwx h GLN 372 Ca 0.17 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.78 2uwx h GLN 372 Cb -0.05 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.44 2uwx h GLN 372 CO -0.04 0.79 0.09 -0.22 -0.67 0.00 0.00 178.83 178.79 2uwx h LYS 373 N 1.23 0.54 -0.36 1.46 3.64 -0.95 -0.38 116.57 121.76 2uwx h LYS 373 Ca 0.33 -0.13 0.03 0.00 -1.27 0.00 0.00 60.65 59.61 2uwx h LYS 373 Cb -0.14 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.57 2uwx h LYS 373 CO -0.07 0.59 0.18 0.35 -2.27 0.00 0.00 179.45 178.22 2uwx h PHE 374 N 0.40 0.32 -0.50 1.91 3.57 -1.12 -1.29 116.94 120.23 2uwx h PHE 374 Ca 0.11 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 2uwx h PHE 374 Cb 0.28 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 2uwx h PHE 374 CO 0.01 0.17 0.17 1.88 -2.23 0.00 0.00 178.31 178.31 2uwx h TYR 375 N 0.36 0.74 0.17 0.41 0.05 -1.05 0.32 116.97 117.97 2uwx h TYR 375 Ca 0.15 -0.05 -0.01 0.00 0.05 0.00 0.00 58.73 58.88 2uwx h TYR 375 Cb 0.07 -0.23 0.00 0.00 1.01 0.00 0.00 36.73 37.58 2uwx h TYR 375 CO -0.10 0.60 -0.08 0.00 -1.05 0.00 0.00 178.16 177.52 2uwx h ARG 376 N 0.72 -0.22 -0.74 4.88 3.08 -0.88 -0.31 114.38 120.91 2uwx h ARG 376 Ca 0.17 0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.18 2uwx h ARG 376 Cb 0.20 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.27 2uwx h ARG 376 CO -0.01 -0.10 0.26 0.22 -1.07 0.00 0.00 179.97 179.26 2uwx h ASP 377 N -0.29 1.04 -0.84 7.04 1.82 -0.97 -1.70 116.42 122.52 2uwx h ASP 377 Ca -0.02 -0.18 0.01 0.00 -0.39 0.00 0.00 57.03 56.45 2uwx h ASP 377 Cb 0.22 -0.27 -0.04 0.00 0.68 0.00 0.00 39.33 39.92 2uwx h ASP 377 CO 0.04 0.95 0.56 0.25 -1.61 0.00 0.00 179.24 179.42 2uwx h LEU 378 N 1.09 0.96 -0.34 2.28 5.85 -0.22 -0.86 115.31 124.07 2uwx h LEU 378 Ca 0.24 -0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.84 2uwx h LEU 378 Cb 0.26 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 2uwx h LEU 378 CO -0.01 0.69 -0.16 0.00 -0.34 0.00 0.00 178.44 178.62 2uwx h ALA 379 N 1.31 0.47 -0.48 1.25 0.00 -0.71 0.91 119.26 122.01 2uwx h ALA 379 Ca 0.31 -0.34 0.05 0.00 0.00 0.00 0.00 54.91 54.93 2uwx h ALA 379 Cb -0.12 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.51 2uwx h ALA 379 CO -0.07 0.39 0.22 0.00 0.00 0.00 0.00 179.25 179.79 2uwx h ALA 380 N 0.78 0.60 -0.10 0.00 0.00 -0.94 -2.61 119.26 116.98 2uwx h ALA 380 Ca 0.07 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 2uwx h ALA 380 Cb 0.70 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2uwx h ALA 380 CO 0.05 -0.14 -0.45 0.87 0.00 0.00 0.00 179.25 179.57 2uwx h LYS 381 N 0.43 0.25 -0.80 0.00 6.56 -0.91 -1.78 116.57 120.33 2uwx h LYS 381 Ca 0.22 -0.13 -0.01 0.00 -1.06 0.00 0.00 60.65 59.67 2uwx h LYS 381 Cb 0.15 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.78 2uwx h LYS 381 CO -0.17 0.66 0.46 0.93 -2.06 0.00 0.00 179.45 179.27 2uwx h GLU 382 N 0.20 1.09 -0.11 3.15 4.39 -0.46 -1.55 114.58 121.30 2uwx h GLU 382 Ca 0.01 -0.11 -0.05 0.00 0.34 0.00 0.00 59.36 59.56 2uwx h GLU 382 Cb 0.89 -0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 29.31 2uwx h GLU 382 CO 0.07 0.78 -0.12 0.82 -1.16 0.00 0.00 179.01 179.41 2uwx h ILE 383 N 1.09 1.36 -0.92 3.13 2.04 -1.32 -1.75 117.51 121.14 2uwx h ILE 383 Ca 0.28 -1.29 0.16 0.00 1.00 0.00 0.00 64.86 65.01 2uwx h ILE 383 Cb -0.01 1.97 -0.08 0.00 -0.74 0.00 0.00 36.82 37.96 2uwx h ILE 383 CO -0.05 0.37 0.59 -0.33 0.00 0.00 0.00 178.15 178.73 2uwx h GLU 384 N -0.14 0.66 -0.00 2.37 5.08 -0.97 -3.23 114.58 118.35 2uwx h GLU 384 Ca 0.02 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2uwx h GLU 384 Cb 0.65 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2uwx h GLU 384 CO 0.03 0.43 -0.04 0.09 -1.00 0.00 0.00 179.01 178.53 2uwx n ASN 385 N -4.59 1.19 -0.48 1.42 5.03 -0.61 -4.69 115.26 112.53 2uwx n ASN 385 Ca 0.19 -1.09 0.07 0.00 0.87 0.00 0.00 54.58 54.61 2uwx n ASN 385 Cb 0.51 0.18 0.04 0.00 -1.02 0.00 0.00 39.78 39.49 2uwx n ASN 385 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2uwx n GLY 386 N 0.42 -0.05 3.88 7.41 0.00 -0.66 -4.82 105.19 111.36 2uwx n GLY 386 Ca 0.02 -0.40 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 2uwx n GLY 386 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2uwx n GLY 387 N 0.86 -0.50 3.84 -0.02 0.00 -1.26 -4.63 105.19 103.48 2uwx n GLY 387 Ca 0.07 0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.97 2uwx n GLY 387 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2uwx s TYR 388 N -3.28 3.35 -0.27 1.61 2.02 -1.26 -2.79 117.35 116.72 2uwx s TYR 388 Ca 0.66 1.41 -0.02 0.00 -0.37 0.00 0.00 57.07 58.75 2uwx s TYR 388 Cb -0.33 -2.83 0.03 0.00 -0.40 0.00 0.00 41.96 38.44 2uwx s TYR 388 CO 0.81 -0.79 -0.02 0.21 -1.57 0.00 0.00 175.55 174.18 2uwx s LYS 389 N -4.62 2.68 -0.40 -0.62 2.20 0.35 -0.47 119.74 118.86 2uwx s LYS 389 Ca 0.58 -1.09 -0.15 0.00 -0.36 0.00 0.00 55.97 54.95 2uwx s LYS 389 Cb -0.12 -3.10 0.01 0.00 -1.51 0.00 0.00 37.83 33.11 2uwx s LYS 389 CO 0.44 -0.50 0.33 0.42 -0.36 0.00 0.00 175.35 175.68 2uwx s ILE 390 N 1.31 5.22 -0.38 5.43 1.01 0.95 -1.45 121.20 133.29 2uwx s ILE 390 Ca -0.02 -0.48 -0.20 0.00 0.00 0.00 0.00 60.65 59.95 2uwx s ILE 390 Cb -0.18 -3.92 0.01 0.00 0.01 0.00 0.00 42.46 38.38 2uwx s ILE 390 CO -0.02 -0.28 0.61 -0.89 0.00 0.00 0.00 174.94 174.36 2uwx s THR 391 N 1.81 4.90 0.57 2.92 2.01 -0.41 -0.09 115.64 127.35 2uwx s THR 391 Ca 0.07 0.41 -0.02 0.00 0.31 0.00 0.00 61.69 62.46 2uwx s THR 391 Cb -0.18 -4.09 0.02 0.00 0.01 0.00 0.00 72.50 68.26 2uwx s THR 391 CO 0.11 -0.37 0.83 0.42 -0.69 0.00 0.00 174.62 174.92 2uwx s THR 392 N 2.68 3.13 -2.28 -0.82 -4.23 -0.47 0.15 115.64 113.81 2uwx s THR 392 Ca 0.23 -0.38 0.28 0.00 -1.18 0.00 0.00 61.69 60.63 2uwx s THR 392 Cb -0.15 -3.22 0.64 0.00 1.34 0.00 0.00 72.50 71.12 2uwx s THR 392 CO 0.16 -0.19 1.86 0.35 -0.54 0.00 0.00 174.62 176.26 2uwx n THR 393 N -2.46 0.03 -2.40 3.99 -2.24 -0.15 -2.83 114.28 108.22 2uwx n THR 393 Ca 0.06 -0.17 -0.41 0.00 -2.27 0.00 0.00 64.05 61.25 2uwx n THR 393 Cb 0.59 0.12 -0.03 0.00 -2.10 0.00 0.00 70.33 68.91 2uwx n THR 393 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2uwx s ILE 394 N -1.97 3.74 -0.35 2.28 -1.09 -1.24 -4.29 121.20 118.28 2uwx s ILE 394 Ca 0.39 1.39 -0.18 0.00 -2.23 0.00 0.00 60.65 60.03 2uwx s ILE 394 Cb 0.20 -3.89 -0.00 0.00 -1.58 0.00 0.00 42.46 37.19 2uwx s ILE 394 CO 0.33 0.18 0.48 -0.62 -1.23 0.00 0.00 174.94 174.08 2uwx s ASP 395 N 0.43 6.29 0.12 3.58 -1.08 -0.09 -0.16 116.67 125.76 2uwx s ASP 395 Ca 0.55 -0.09 -0.24 0.00 -0.52 0.00 0.00 52.55 52.25 2uwx s ASP 395 Cb -0.31 -2.25 -0.06 0.00 -1.46 0.00 0.00 42.92 38.83 2uwx s ASP 395 CO 0.34 -0.46 1.67 -0.61 0.52 0.00 0.00 175.17 176.63 2uwx h GLN 396 N 8.47 -0.24 -0.42 4.34 -0.00 -1.95 -0.11 115.11 125.20 2uwx h GLN 396 Ca -0.28 0.02 -0.02 0.00 -0.00 0.00 0.00 58.65 58.37 2uwx h GLN 396 Cb 1.13 0.06 -0.02 0.00 0.00 0.00 0.00 27.48 28.64 2uwx h GLN 396 CO 0.76 -0.16 0.19 0.87 0.00 0.00 0.00 178.83 180.48 2uwx h LYS 397 N -0.25 0.61 -0.30 1.69 1.57 -1.95 -0.51 116.57 117.43 2uwx h LYS 397 Ca 0.06 -0.10 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 2uwx h LYS 397 Cb 0.33 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 2uwx h LYS 397 CO -0.16 0.55 -0.03 0.82 -0.57 0.00 0.00 179.45 180.06 2uwx h ILE 398 N 0.54 1.27 -0.23 1.86 2.04 -1.84 -0.82 117.51 120.32 2uwx h ILE 398 Ca 0.14 -1.00 -0.14 0.00 1.00 0.00 0.00 64.86 64.86 2uwx h ILE 398 Cb 0.15 1.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 2uwx h ILE 398 CO -0.02 0.32 -0.39 -0.74 0.00 0.00 0.00 178.15 177.32 2uwx h HIS 399 N 0.32 0.83 -0.28 1.37 2.76 -0.86 -0.49 115.15 118.81 2uwx h HIS 399 Ca 0.08 -0.29 0.05 0.00 -2.20 0.00 0.00 60.37 58.01 2uwx h HIS 399 Cb 0.48 -0.16 -0.05 0.00 1.55 0.00 0.00 27.41 29.23 2uwx h HIS 399 CO 0.04 1.06 -0.06 0.77 -1.30 0.00 0.00 177.93 178.43 2uwx h SER 400 N 0.37 -0.24 -0.86 3.26 0.02 -1.15 -0.74 113.55 114.20 2uwx h SER 400 Ca 0.01 0.08 0.11 0.00 -0.84 0.00 0.00 61.79 61.15 2uwx h SER 400 Cb 0.99 0.17 -0.06 0.00 0.14 0.00 0.00 62.40 63.63 2uwx h SER 400 CO 0.09 -0.09 0.56 0.00 -1.14 0.00 0.00 176.83 176.25 2uwx h ALA 401 N 1.27 1.72 -0.06 3.77 0.00 -0.89 -1.02 119.26 124.05 2uwx h ALA 401 Ca 0.13 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 2uwx h ALA 401 Cb 0.20 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2uwx h ALA 401 CO -0.28 0.09 -0.50 0.52 0.00 0.00 0.00 179.25 179.08 2uwx h MET 402 N 0.79 0.16 -0.31 0.00 2.86 -0.39 -2.18 114.93 115.86 2uwx h MET 402 Ca 0.41 -0.09 -0.10 0.00 -2.06 0.00 0.00 59.70 57.86 2uwx h MET 402 Cb 0.49 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 2uwx h MET 402 CO -0.17 0.63 -0.20 1.96 1.06 0.00 0.00 176.91 180.19 2uwx h GLN 403 N 0.13 0.68 -0.58 1.72 1.08 0.08 -2.80 115.11 115.41 2uwx h GLN 403 Ca 0.00 -0.32 -0.04 0.00 -1.45 0.00 0.00 58.65 56.85 2uwx h GLN 403 Cb 0.93 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 28.32 2uwx h GLN 403 CO 0.07 0.92 0.21 0.77 -0.95 0.00 0.00 178.83 179.85 2uwx h SER 404 N 0.44 0.79 -0.50 1.46 0.02 -1.28 -1.18 113.55 113.30 2uwx h SER 404 Ca 0.06 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 2uwx h SER 404 Cb 0.74 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 2uwx h SER 404 CO 0.05 0.73 0.25 0.00 -1.14 0.00 0.00 176.83 176.73 2uwx h ALA 405 N 1.39 0.64 -0.05 3.77 0.00 -1.33 0.21 119.26 123.89 2uwx h ALA 405 Ca 0.20 -0.11 -0.19 0.00 0.00 0.00 0.00 54.91 54.81 2uwx h ALA 405 Cb 0.20 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2uwx h ALA 405 CO -0.01 0.19 -0.78 -0.24 0.00 0.00 0.00 179.25 178.40 2uwx h VAL 406 N 0.66 1.40 0.09 0.00 3.04 -1.41 0.13 116.25 120.17 2uwx h VAL 406 Ca 0.17 -2.25 -0.00 0.00 -1.01 0.00 0.00 66.70 63.61 2uwx h VAL 406 Cb 0.09 2.21 0.00 0.00 -2.01 0.00 0.00 31.29 31.58 2uwx h VAL 406 CO -0.02 0.67 -0.05 0.00 -1.01 0.00 0.00 177.57 177.16 2uwx h ALA 407 N 0.91 -0.13 0.05 3.17 0.00 -0.99 -1.23 119.26 121.04 2uwx h ALA 407 Ca -0.04 -0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.61 2uwx h ALA 407 Cb 1.37 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 2uwx h ALA 407 CO 0.13 -0.57 -1.08 -0.44 0.00 0.00 0.00 179.25 177.29 2uwx h ASP 408 N -0.13 0.17 -0.00 0.00 3.32 -0.48 -3.39 116.42 115.91 2uwx h ASP 408 Ca -0.01 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.86 2uwx h ASP 408 Cb 0.10 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.59 2uwx h ASP 408 CO 0.02 1.13 -0.01 -1.22 -1.72 0.00 0.00 179.24 177.44 2uwx n TYR 409 N -3.43 0.00 -0.11 4.55 4.01 0.46 -4.67 117.16 117.96 2uwx n TYR 409 Ca -0.03 0.00 0.20 0.00 -0.16 0.00 0.00 57.90 57.91 2uwx n TYR 409 Cb 0.96 0.00 0.62 0.00 -0.31 0.00 0.00 39.34 40.61 2uwx n TYR 409 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2uwx h GLY 410 N 0.08 0.32 2.00 2.72 0.00 -1.28 -1.15 103.07 105.77 2uwx h GLY 410 Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 2uwx h GLY 410 CO 0.00 0.02 -0.07 0.10 0.00 0.00 0.00 176.54 176.59 2uwx h TYR 411 N 0.18 0.00 0.00 5.60 -0.00 -1.83 -0.86 116.97 120.06 2uwx h TYR 411 Ca 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.07 2uwx h TYR 411 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.83 2uwx h TYR 411 CO -0.00 0.07 0.00 -0.07 -0.00 0.00 0.00 178.16 178.16 2uwx h LEU 412 N 0.00 0.00 -0.42 0.10 3.38 -1.55 -0.71 115.31 116.11 2uwx h LEU 412 Ca -0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 2uwx h LEU 412 Cb 0.17 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2uwx h LEU 412 CO 0.01 0.00 -0.65 -0.07 0.09 0.00 0.00 178.44 177.82 2uwx h LEU 413 N 0.00 0.00 -9.03 1.67 3.38 -1.30 -3.45 115.31 106.59 2uwx h LEU 413 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 2uwx h LEU 413 Cb 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2uwx h LEU 413 CO 0.00 0.65 1.33 -1.81 0.09 0.00 0.00 178.44 178.70 2uwx s ASP 414 N -6.63 5.90 -0.08 -0.43 1.01 -0.27 -4.74 116.67 111.42 2uwx s ASP 414 Ca 0.01 1.83 0.13 0.00 0.71 0.00 0.00 52.55 55.22 2uwx s ASP 414 Cb 0.10 -2.52 0.39 0.00 1.01 0.00 0.00 42.92 41.90 2uwx s ASP 414 CO 0.76 -1.62 1.32 -0.90 0.21 0.00 0.00 175.17 174.93 2uwx n ASP 415 N 10.07 3.29 0.00 0.27 5.75 -1.26 -4.96 116.55 129.71 2uwx n ASP 415 Ca 0.24 -2.45 0.00 0.00 -0.01 0.00 0.00 54.79 52.58 2uwx n ASP 415 Cb 0.45 -0.36 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 2uwx n ASP 415 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2uwx n GLY 416 N 0.02 0.76 1.22 6.12 0.00 -1.26 -4.77 105.19 107.28 2uwx n GLY 416 Ca 0.15 -0.03 -0.05 0.00 0.00 0.00 0.00 46.02 46.10 2uwx n GLY 416 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2uwx n THR 417 N -2.48 2.59 0.00 2.61 -2.24 -1.26 -5.04 114.28 108.45 2uwx n THR 417 Ca 0.00 -2.67 0.00 0.00 -2.27 0.00 0.00 64.05 59.11 2uwx n THR 417 Cb 0.00 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 67.90 2uwx n THR 417 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2uwx n GLY 418 N -1.10 -0.71 3.69 3.38 0.00 -1.26 -4.89 105.19 104.29 2uwx n GLY 418 Ca 0.35 -1.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.21 2uwx n GLY 418 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2uwx n ARG 419 N -0.71 2.79 -3.32 1.61 0.63 -1.26 -4.45 116.66 111.95 2uwx n ARG 419 Ca 0.00 1.01 -0.39 0.00 -0.92 0.00 0.00 57.85 57.56 2uwx n ARG 419 Cb 0.00 -2.91 -0.08 0.00 0.45 0.00 0.00 32.46 29.92 2uwx n ARG 419 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 2uwx s VAL 420 N 2.85 5.15 0.65 5.15 1.01 -1.26 -4.88 120.40 129.07 2uwx s VAL 420 Ca 0.83 0.79 -0.08 0.00 0.00 0.00 0.00 61.98 63.51 2uwx s VAL 420 Cb -0.48 -3.77 0.02 0.00 0.00 0.00 0.00 36.38 32.15 2uwx s VAL 420 CO 0.38 0.19 0.99 -1.61 0.00 0.00 0.00 175.10 175.05 2uwx s GLU 421 N 1.69 2.74 -0.21 2.72 0.41 -0.46 -4.84 118.70 120.74 2uwx s GLU 421 Ca 0.20 0.10 -0.21 0.00 -0.41 0.00 0.00 54.97 54.65 2uwx s GLU 421 Cb -0.15 -2.16 0.06 0.00 -1.78 0.00 0.00 34.13 30.09 2uwx s GLU 421 CO 0.09 -0.93 0.59 0.54 -0.49 0.00 0.00 175.26 175.06 2uwx s VAL 422 N -3.17 0.00 0.02 2.63 0.11 -1.26 -2.28 120.40 116.45 2uwx s VAL 422 Ca 0.57 -0.01 0.01 0.00 -2.93 0.00 0.00 61.98 59.61 2uwx s VAL 422 Cb -0.11 -0.84 -0.02 0.00 -1.53 0.00 0.00 36.38 33.89 2uwx s VAL 422 CO 0.47 -0.01 -0.05 -0.83 -3.33 0.00 0.00 175.10 171.36 2uwx s GLY 423 N 0.17 0.32 -0.01 6.54 0.00 -0.34 -3.04 107.32 110.97 2uwx s GLY 423 Ca -0.01 -0.51 -0.04 0.00 0.00 0.00 0.00 44.72 44.16 2uwx s GLY 423 CO 0.02 -0.55 0.07 -1.31 0.00 0.00 0.00 173.10 171.33 2uwx s ASN 424 N -1.06 0.04 -0.03 1.64 0.01 -0.33 -1.72 114.94 113.49 2uwx s ASN 424 Ca -0.08 -0.15 0.02 0.00 -0.71 0.00 0.00 52.86 51.94 2uwx s ASN 424 Cb -0.07 0.17 0.01 0.00 0.41 0.00 0.00 41.25 41.77 2uwx s ASN 424 CO -0.00 -0.22 -0.06 -0.69 -1.51 0.00 0.00 177.10 174.61 2uwx s VAL 425 N -0.88 0.58 -0.20 1.60 1.01 -1.01 -0.43 120.40 121.07 2uwx s VAL 425 Ca -0.10 -0.22 -0.03 0.00 0.00 0.00 0.00 61.98 61.64 2uwx s VAL 425 Cb -0.06 -0.55 -0.01 0.00 0.00 0.00 0.00 36.38 35.76 2uwx s VAL 425 CO 0.00 0.20 -0.06 -0.22 0.00 0.00 0.00 175.10 175.03 2uwx s LEU 426 N 0.44 2.86 -0.02 3.92 2.96 -0.29 -1.40 118.68 127.16 2uwx s LEU 426 Ca -0.06 -0.37 0.06 0.00 -0.22 0.00 0.00 54.13 53.54 2uwx s LEU 426 Cb -0.10 -1.71 -0.02 0.00 0.50 0.00 0.00 46.19 44.86 2uwx s LEU 426 CO 0.00 0.02 -0.21 -0.32 -1.32 0.00 0.00 176.35 174.53 2uwx s MET 427 N 1.23 1.71 -0.14 1.98 -2.45 0.55 -0.52 119.30 121.65 2uwx s MET 427 Ca 0.03 -0.74 -0.29 0.00 -1.25 0.00 0.00 55.69 53.43 2uwx s MET 427 Cb -0.14 -1.64 -0.02 0.00 1.25 0.00 0.00 34.83 34.28 2uwx s MET 427 CO -0.02 0.44 1.21 0.34 1.05 0.00 0.00 175.02 178.04 2uwx s ASP 428 N -0.46 7.00 0.49 1.11 -1.08 0.29 -1.41 116.67 122.60 2uwx s ASP 428 Ca 0.07 1.69 0.27 0.00 -0.52 0.00 0.00 52.55 54.05 2uwx s ASP 428 Cb -0.08 -2.54 1.20 0.00 -1.46 0.00 0.00 42.92 40.03 2uwx s ASP 428 CO -0.01 -0.69 1.94 0.78 0.52 0.00 0.00 175.17 177.71 2uwx h ASN 429 N 7.89 0.00 0.22 -0.34 2.35 -1.26 -0.40 115.58 124.04 2uwx h ASN 429 Ca -0.28 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.47 2uwx h ASN 429 Cb 1.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.49 2uwx h ASN 429 CO 0.94 0.16 -0.76 0.00 -1.65 0.00 0.00 177.43 176.12 2uwx n GLN 430 N -3.44 0.03 0.00 0.81 3.00 -1.26 -4.43 117.38 112.09 2uwx n GLN 430 Ca -0.01 -0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 2uwx n GLN 430 Cb 0.34 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.08 2uwx n GLN 430 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 2uwx n THR 431 N -1.46 0.00 -0.67 5.09 -2.24 -1.15 -5.00 114.28 108.85 2uwx n THR 431 Ca 0.05 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 2uwx n THR 431 Cb 0.33 0.75 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 2uwx n THR 431 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2uwx n GLY 432 N 1.27 0.87 3.77 3.38 0.00 -0.17 -4.64 105.19 109.66 2uwx n GLY 432 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2uwx n GLY 432 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2uwx s ALA 433 N -2.80 3.46 -0.40 4.61 0.00 -1.26 -2.35 121.76 123.02 2uwx s ALA 433 Ca 0.00 1.17 -0.19 0.00 0.00 0.00 0.00 51.96 52.95 2uwx s ALA 433 Cb 0.00 -3.44 0.01 0.00 0.00 0.00 0.00 23.12 19.69 2uwx s ALA 433 CO 0.00 -0.54 0.52 0.42 0.00 0.00 0.00 175.76 176.16 2uwx s ILE 434 N -1.16 4.99 -0.22 0.00 1.01 -0.30 -0.55 121.20 124.97 2uwx s ILE 434 Ca 0.48 0.04 0.17 0.00 0.00 0.00 0.00 60.65 61.35 2uwx s ILE 434 Cb -0.38 -4.06 0.11 0.00 0.01 0.00 0.00 42.46 38.15 2uwx s ILE 434 CO 0.50 -0.39 1.45 -0.07 0.00 0.00 0.00 174.94 176.42 2uwx h LEU 435 N 9.25 0.00 -7.04 2.97 3.38 -0.99 -3.29 115.31 119.59 2uwx h LEU 435 Ca -0.27 0.00 0.36 0.00 0.09 0.00 0.00 57.88 58.07 2uwx h LEU 435 Cb 1.11 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.70 2uwx h LEU 435 CO 0.81 0.39 0.96 -0.83 0.09 0.00 0.00 178.44 179.86 2uwx s GLY 436 N -4.42 -0.40 0.24 0.83 0.00 -1.23 -0.91 107.32 101.43 2uwx s GLY 436 Ca 0.04 1.22 -0.20 0.00 0.00 0.00 0.00 44.72 45.78 2uwx s GLY 436 CO 0.73 0.31 0.64 -0.11 0.00 0.00 0.00 173.10 174.67 2uwx s PHE 437 N -2.10 -0.16 -0.19 1.90 -0.12 -1.26 -1.13 117.98 114.91 2uwx s PHE 437 Ca 0.14 -0.24 0.01 0.00 -0.05 0.00 0.00 56.93 56.79 2uwx s PHE 437 Cb 0.05 0.57 0.04 0.00 -0.63 0.00 0.00 43.02 43.04 2uwx s PHE 437 CO -0.05 -1.10 -0.14 0.08 -0.05 0.00 0.00 175.22 173.97 2uwx s VAL 438 N -3.90 1.80 -0.53 -2.49 1.01 0.43 -4.79 120.40 111.92 2uwx s VAL 438 Ca 0.11 -1.00 0.24 0.00 0.00 0.00 0.00 61.98 61.33 2uwx s VAL 438 Cb -0.04 -1.78 0.16 0.00 0.00 0.00 0.00 36.38 34.73 2uwx s VAL 438 CO 0.03 0.29 1.44 1.23 0.00 0.00 0.00 175.10 178.09 2uwx h GLY 439 N 7.95 0.00 0.00 4.51 0.00 -1.83 -0.88 103.07 112.82 2uwx h GLY 439 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.00 2uwx h GLY 439 CO 0.52 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.67 2uwx n GLY 440 N 1.24 0.48 0.35 4.60 0.00 -1.17 -0.39 105.19 110.30 2uwx n GLY 440 Ca 0.03 -1.21 0.11 0.00 0.00 0.00 0.00 46.02 44.95 2uwx n GLY 440 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2uwx h ARG 441 N 0.00 0.75 -0.09 1.61 2.47 -1.89 -3.43 114.38 113.80 2uwx h ARG 441 Ca 0.00 -0.05 0.26 0.00 -1.26 0.00 0.00 59.98 58.94 2uwx h ARG 441 Cb 0.00 -0.17 -0.19 0.00 -1.65 0.00 0.00 29.97 27.96 2uwx h ARG 441 CO 0.00 0.50 0.11 1.21 0.56 0.00 0.00 179.97 182.35 2uwx s ASN 442 N -5.46 -0.15 0.34 7.04 3.04 -1.26 -4.68 114.94 113.81 2uwx s ASN 442 Ca -0.12 0.03 0.11 0.00 0.04 0.00 0.00 52.86 52.93 2uwx s ASN 442 Cb 0.24 1.10 1.04 0.00 -1.54 0.00 0.00 41.25 42.09 2uwx s ASN 442 CO 0.80 -0.03 1.59 0.22 -3.04 0.00 0.00 177.10 176.64 2uwx h TYR 443 N 7.30 0.45 0.00 0.43 5.03 -1.83 -1.81 116.97 126.53 2uwx h TYR 443 Ca -0.11 0.05 -0.05 0.00 2.58 0.00 0.00 58.73 61.21 2uwx h TYR 443 Cb 1.17 -0.03 -0.01 0.00 1.55 0.00 0.00 36.73 39.41 2uwx h TYR 443 CO -0.16 -0.42 -0.24 1.96 -1.32 0.00 0.00 178.16 177.99 2uwx h GLN 444 N 0.05 0.00 0.00 1.82 7.50 -1.99 -2.85 115.11 119.63 2uwx h GLN 444 Ca 0.72 0.00 -0.24 0.00 0.50 0.00 0.00 58.65 59.63 2uwx h GLN 444 Cb 1.71 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 29.19 2uwx h GLN 444 CO -0.81 0.24 -1.69 0.39 -1.50 0.00 0.00 178.83 175.46 2uwx n GLU 445 N -4.09 0.64 -3.65 1.46 -0.58 -0.75 -4.91 120.64 108.76 2uwx n GLU 445 Ca -0.02 0.21 -0.03 0.00 -0.42 0.00 0.00 57.16 56.90 2uwx n GLU 445 Cb 0.30 -1.75 -0.05 0.00 -0.57 0.00 0.00 31.44 29.37 2uwx n GLU 445 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 2uwx s ASN 446 N -5.82 -0.97 0.00 1.62 2.47 -0.80 -5.04 114.94 106.40 2uwx s ASN 446 Ca -0.05 1.46 0.23 0.00 0.42 0.00 0.00 52.86 54.92 2uwx s ASN 446 Cb 0.08 2.10 0.08 0.00 -1.45 0.00 0.00 41.25 42.06 2uwx s ASN 446 CO 0.82 -0.22 1.11 0.00 -3.72 0.00 0.00 177.10 175.10 2uwx n GLN 447 N 5.40 0.01 -1.65 0.43 3.00 -1.22 -3.58 117.38 119.77 2uwx n GLN 447 Ca -0.12 -0.00 -0.47 0.00 -0.01 0.00 0.00 57.00 56.40 2uwx n GLN 447 Cb 0.49 -1.50 -0.04 0.00 0.00 0.00 0.00 30.24 29.19 2uwx n GLN 447 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2uwx n ASN 448 N -1.51 2.54 -4.48 1.08 3.02 -1.26 -4.91 115.26 109.74 2uwx n ASN 448 Ca 0.05 1.11 -0.43 0.00 -0.03 0.00 0.00 54.58 55.28 2uwx n ASN 448 Cb 0.33 -1.36 -0.06 0.00 -0.61 0.00 0.00 39.78 38.08 2uwx n ASN 448 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2uwx s ASN 449 N 0.53 6.27 0.00 6.41 3.84 -1.26 -4.64 114.94 126.09 2uwx s ASN 449 Ca 0.76 -0.65 0.26 0.00 0.21 0.00 0.00 52.86 53.44 2uwx s ASN 449 Cb -0.74 -2.34 0.77 0.00 -0.55 0.00 0.00 41.25 38.40 2uwx s ASN 449 CO 0.45 -0.98 1.58 1.41 -2.79 0.00 0.00 177.10 176.77 2uwx n HIS 450 N 6.58 0.00 -0.00 0.43 8.25 0.48 -1.06 115.22 129.90 2uwx n HIS 450 Ca -0.03 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.23 2uwx n HIS 450 Cb 0.46 -0.18 -0.14 0.00 1.12 0.00 0.00 29.99 31.25 2uwx n HIS 450 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2uwx n ALA 451 N -0.97 1.00 -0.02 -1.41 0.00 -1.26 -4.32 120.51 113.53 2uwx n ALA 451 Ca 0.10 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.91 2uwx n ALA 451 Cb 0.33 -0.68 -0.05 0.00 0.00 0.00 0.00 19.45 19.05 2uwx n ALA 451 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2uwx n PHE 452 N -3.41 0.00 -0.06 0.00 3.72 -1.24 -1.18 117.46 115.29 2uwx n PHE 452 Ca -0.30 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.02 2uwx n PHE 452 Cb 1.05 -0.24 -0.06 0.00 -0.94 0.00 0.00 39.48 39.29 2uwx n PHE 452 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2uwx n ASP 453 N -1.99 3.00 -4.73 4.37 8.00 -0.22 -4.93 116.55 120.04 2uwx n ASP 453 Ca -0.06 -0.06 -0.41 0.00 0.71 0.00 0.00 54.79 54.97 2uwx n ASP 453 Cb 0.44 -0.08 -0.05 0.00 -0.02 0.00 0.00 41.12 41.42 2uwx n ASP 453 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2uwx s THR 454 N -2.24 4.43 -0.17 -3.53 -4.23 -0.81 -4.94 115.64 104.15 2uwx s THR 454 Ca -0.15 2.07 -0.02 0.00 -1.18 0.00 0.00 61.69 62.41 2uwx s THR 454 Cb 0.04 -4.32 -0.01 0.00 1.34 0.00 0.00 72.50 69.55 2uwx s THR 454 CO 0.30 0.35 -0.10 -0.54 -0.54 0.00 0.00 174.62 174.09 2uwx s LYS 455 N -0.20 3.36 0.02 3.99 1.02 -1.26 -4.05 119.74 122.63 2uwx s LYS 455 Ca 0.46 -0.66 -0.04 0.00 0.02 0.00 0.00 55.97 55.74 2uwx s LYS 455 Cb -0.24 -2.80 -0.01 0.00 -0.52 0.00 0.00 37.83 34.27 2uwx s LYS 455 CO 0.30 0.01 0.06 1.03 -0.92 0.00 0.00 175.35 175.83 2uwx s ARG 456 N 0.90 0.47 0.17 1.68 1.81 -0.53 -4.67 118.95 118.79 2uwx s ARG 456 Ca -0.02 -0.61 -0.33 0.00 -1.72 0.00 0.00 55.73 53.05 2uwx s ARG 456 Cb -0.15 0.18 -0.13 0.00 -0.45 0.00 0.00 34.95 34.41 2uwx s ARG 456 CO 0.00 -0.10 1.68 0.45 -0.68 0.00 0.00 175.30 176.64 2uwx n SER 457 N 1.23 3.60 0.00 0.23 2.88 -1.25 -1.56 113.62 118.74 2uwx n SER 457 Ca -0.22 1.06 0.13 0.00 -1.33 0.00 0.00 58.87 58.52 2uwx n SER 457 Cb 0.56 -1.50 0.73 0.00 -0.75 0.00 0.00 64.21 63.25 2uwx n SER 457 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2uwx n PRO 458 N 3.97 0.64 0.00 -1.46 -0.04 -1.26 -4.89 135.00 131.96 2uwx n PRO 458 Ca 0.17 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 2uwx n PRO 458 Cb 0.32 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 2uwx n PRO 458 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2uwx n ALA 459 N -1.12 0.00 0.00 0.55 0.00 -1.26 -4.05 120.51 114.63 2uwx n ALA 459 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2uwx n ALA 459 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.59 2uwx n ALA 459 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2uwx n THR 461 N 0.00 0.00 0.21 0.00 -2.24 -1.20 -2.98 114.28 108.07 2uwx n THR 461 Ca 0.00 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.83 2uwx n THR 461 Cb 0.00 0.00 0.45 0.00 -2.10 0.00 0.00 70.33 68.68 2uwx n THR 461 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2uwx h THR 462 N 0.00 1.13 -0.33 4.28 2.02 -1.73 -3.37 112.91 114.91 2uwx h THR 462 Ca 0.00 -0.99 0.05 0.00 0.77 0.00 0.00 66.41 66.24 2uwx h THR 462 Cb 0.00 1.54 -0.04 0.00 -1.74 0.00 0.00 68.15 67.91 2uwx h THR 462 CO 0.00 0.28 0.06 0.11 0.37 0.00 0.00 175.52 176.34 2uwx h LYS 463 N 0.00 0.18 -0.68 6.66 1.57 -1.69 -1.02 116.57 121.59 2uwx h LYS 463 Ca -0.00 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2uwx h LYS 463 Cb 0.52 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 2uwx h LYS 463 CO 0.04 0.12 0.39 -1.35 -0.57 0.00 0.00 179.45 178.07 2uwx h PRO 464 N 0.18 0.92 0.02 3.15 0.11 -1.91 -1.44 132.00 133.03 2uwx h PRO 464 Ca 0.15 -0.09 -0.00 0.00 0.11 0.00 0.00 66.00 66.17 2uwx h PRO 464 Cb 0.17 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.09 2uwx h PRO 464 CO -0.20 0.67 -0.01 -0.07 -0.21 0.00 0.00 178.00 178.18 2uwx h LEU 465 N 0.94 -0.02 0.00 2.35 3.38 -1.72 0.18 115.31 120.42 2uwx h LEU 465 Ca 0.24 -0.77 -0.12 0.00 0.09 0.00 0.00 57.88 57.32 2uwx h LEU 465 Cb -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2uwx h LEU 465 CO -0.04 0.81 -1.61 -0.11 0.09 0.00 0.00 178.44 177.58 2uwx n LEU 466 N -4.70 0.52 0.00 1.67 0.00 -0.41 -3.95 117.00 110.14 2uwx n LEU 466 Ca -0.09 0.22 0.00 0.00 0.00 0.00 0.00 56.01 56.14 2uwx n LEU 466 Cb 0.38 0.09 0.00 0.00 0.00 0.00 0.00 43.42 43.89 2uwx n LEU 466 CO 0.30 0.09 0.00 0.00 0.00 0.00 0.00 177.39 177.78 2uwx n ALA 467 N -2.37 1.26 -0.20 1.96 0.00 -0.63 -4.61 120.51 115.92 2uwx n ALA 467 Ca -0.10 -0.06 -0.09 0.00 0.00 0.00 0.00 53.44 53.19 2uwx n ALA 467 Cb 0.76 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.23 2uwx n ALA 467 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 2uwx h TYR 468 N 0.00 1.10 -0.67 0.00 0.05 -1.48 -1.97 116.97 114.00 2uwx h TYR 468 Ca 0.00 -0.18 -0.03 0.00 0.05 0.00 0.00 58.73 58.57 2uwx h TYR 468 Cb 0.00 -0.29 -0.03 0.00 1.01 0.00 0.00 36.73 37.42 2uwx h TYR 468 CO 0.00 0.98 0.31 0.78 -1.05 0.00 0.00 178.16 179.17 2uwx h GLY 469 N 0.91 1.04 0.77 3.88 0.00 -0.82 -1.52 103.07 107.34 2uwx h GLY 469 Ca 0.17 -0.53 -0.06 0.00 0.00 0.00 0.00 47.33 46.91 2uwx h GLY 469 CO 0.03 0.51 -0.11 -2.22 0.00 0.00 0.00 176.54 174.74 2uwx h ILE 470 N 0.93 1.32 -0.97 2.60 2.04 -1.65 -1.41 117.51 120.38 2uwx h ILE 470 Ca 0.23 -1.20 0.08 0.00 1.00 0.00 0.00 64.86 64.96 2uwx h ILE 470 Cb 0.15 1.74 -0.07 0.00 -0.74 0.00 0.00 36.82 37.90 2uwx h ILE 470 CO -0.03 0.36 0.61 0.00 0.00 0.00 0.00 178.15 179.10 2uwx h ALA 471 N 0.66 1.36 -0.03 1.87 0.00 -1.22 0.34 119.26 122.24 2uwx h ALA 471 Ca 0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2uwx h ALA 471 Cb 0.61 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2uwx h ALA 471 CO 0.03 0.35 -0.06 0.82 0.00 0.00 0.00 179.25 180.39 2uwx h ILE 472 N 1.08 1.44 -0.58 0.00 2.04 -1.26 0.19 117.51 120.43 2uwx h ILE 472 Ca 0.43 -1.40 0.17 0.00 1.00 0.00 0.00 64.86 65.07 2uwx h ILE 472 Cb 0.24 2.30 -0.02 0.00 -0.74 0.00 0.00 36.82 38.59 2uwx h ILE 472 CO -0.19 0.38 0.42 -0.78 0.00 0.00 0.00 178.15 177.97 2uwx h ASP 473 N -0.44 0.00 0.48 1.72 3.58 -0.69 -0.89 116.42 120.19 2uwx h ASP 473 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2uwx h ASP 473 Cb 0.64 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.69 2uwx h ASP 473 CO 0.01 0.00 -0.32 0.00 -2.88 0.00 0.00 179.24 176.06 2uwx n GLN 474 N -4.36 0.31 -1.71 0.28 1.13 0.06 -4.91 117.38 108.17 2uwx n GLN 474 Ca 0.11 -0.15 0.00 0.00 -1.94 0.00 0.00 57.00 55.02 2uwx n GLN 474 Cb 0.66 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.51 2uwx n GLN 474 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2uwx n GLY 475 N 1.43 0.42 0.01 1.08 0.00 -0.34 -4.94 105.19 102.85 2uwx n GLY 475 Ca 0.09 -0.90 0.11 0.00 0.00 0.00 0.00 46.02 45.31 2uwx n GLY 475 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2uwx n LEU 476 N 0.00 0.77 -3.56 0.99 4.77 0.65 -4.98 117.00 115.63 2uwx n LEU 476 Ca 0.00 -0.29 -0.11 0.00 -0.03 0.00 0.00 56.01 55.59 2uwx n LEU 476 Cb 0.37 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.37 2uwx n LEU 476 CO 0.00 0.17 0.37 0.00 -1.33 0.00 0.00 177.39 176.60 2uwx s MET 477 N -3.07 1.36 0.40 3.23 0.23 -1.09 -4.93 119.30 115.44 2uwx s MET 477 Ca 0.07 -0.64 0.04 0.00 -1.03 0.00 0.00 55.69 54.12 2uwx s MET 477 Cb 0.16 0.57 -0.03 0.00 -1.53 0.00 0.00 34.83 34.00 2uwx s MET 477 CO 0.83 -0.60 0.12 0.20 -2.03 0.00 0.00 175.02 173.54 2uwx s GLY 478 N -2.80 2.56 0.53 3.16 0.00 -1.26 -4.41 107.32 105.11 2uwx s GLY 478 Ca 0.04 -1.29 0.22 0.00 0.00 0.00 0.00 44.72 43.69 2uwx s GLY 478 CO -0.08 -1.84 2.08 1.48 0.00 0.00 0.00 173.10 174.74 2uwx h SER 479 N 1.81 0.00 -0.15 1.64 4.64 -1.08 -2.71 113.55 117.70 2uwx h SER 479 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 2uwx h SER 479 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2uwx h SER 479 CO 0.58 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.92 2uwx n GLU 480 N -4.38 2.58 -1.66 4.77 -0.58 -1.26 -4.14 120.64 115.98 2uwx n GLU 480 Ca 0.03 -2.17 -0.40 0.00 -0.42 0.00 0.00 57.16 54.20 2uwx n GLU 480 Cb 0.34 -1.36 0.03 0.00 -0.57 0.00 0.00 31.44 29.88 2uwx n GLU 480 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2uwx n THR 481 N -0.42 3.10 -3.66 2.62 -1.04 -1.02 -4.31 114.28 109.55 2uwx n THR 481 Ca 0.11 -0.50 -0.37 0.00 -2.04 0.00 0.00 64.05 61.25 2uwx n THR 481 Cb 0.52 -1.35 -0.06 0.00 -1.82 0.00 0.00 70.33 67.62 2uwx n THR 481 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2uwx s ILE 482 N -1.33 5.21 0.13 12.58 -1.09 -1.26 -1.72 121.20 133.72 2uwx s ILE 482 Ca 0.68 0.51 0.07 0.00 -2.23 0.00 0.00 60.65 59.68 2uwx s ILE 482 Cb -0.48 -3.59 -0.04 0.00 -1.58 0.00 0.00 42.46 36.77 2uwx s ILE 482 CO 0.53 0.52 -0.17 -0.76 -1.23 0.00 0.00 174.94 173.82 2uwx s LEU 483 N -1.28 2.38 -0.11 2.97 1.02 0.64 -0.79 118.68 123.50 2uwx s LEU 483 Ca 0.23 -0.78 -0.29 0.00 0.02 0.00 0.00 54.13 53.31 2uwx s LEU 483 Cb -0.14 -0.73 -0.01 0.00 0.02 0.00 0.00 46.19 45.32 2uwx s LEU 483 CO 0.12 -0.05 1.00 -0.55 0.02 0.00 0.00 176.35 176.89 2uwx s SER 484 N -2.32 7.23 -0.19 2.29 0.15 0.15 -1.15 113.70 119.87 2uwx s SER 484 Ca 0.10 1.51 0.16 0.00 0.70 0.00 0.00 55.95 58.42 2uwx s SER 484 Cb -0.07 -2.55 0.61 0.00 -1.71 0.00 0.00 66.02 62.30 2uwx s SER 484 CO 0.05 -0.44 1.52 -3.20 1.20 0.00 0.00 173.24 172.36 2uwx n ASN 485 N 5.01 4.40 -4.73 5.45 4.05 0.42 -3.31 115.26 126.56 2uwx n ASN 485 Ca 0.08 -2.94 -0.35 0.00 0.45 0.00 0.00 54.58 51.82 2uwx n ASN 485 Cb 0.49 -0.57 0.08 0.00 1.23 0.00 0.00 39.78 41.00 2uwx n ASN 485 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 177.26 173.90 2uwx s TYR 486 N -2.72 2.12 0.33 1.20 1.51 -1.21 -0.10 117.35 118.48 2uwx s TYR 486 Ca 0.45 1.56 -0.27 0.00 -1.01 0.00 0.00 57.07 57.81 2uwx s TYR 486 Cb 0.35 -3.51 -0.13 0.00 -0.11 0.00 0.00 41.96 38.57 2uwx s TYR 486 CO 0.12 -2.59 1.04 -2.30 -1.11 0.00 0.00 175.55 170.71 2uwx n PRO 487 N -2.39 1.45 -3.46 -1.71 -0.02 -1.20 -4.78 135.00 122.89 2uwx n PRO 487 Ca 0.14 0.51 -0.12 0.00 -2.02 0.00 0.00 63.50 62.01 2uwx n PRO 487 Cb 0.50 -1.95 -0.03 0.00 -0.02 0.00 0.00 33.50 32.00 2uwx n PRO 487 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 2uwx s THR 488 N -1.12 0.00 0.17 3.45 -1.32 -1.26 -4.98 115.64 110.58 2uwx s THR 488 Ca 0.59 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 61.15 2uwx s THR 488 Cb -0.65 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.30 2uwx s THR 488 CO 0.60 0.00 -0.07 0.20 -2.21 0.00 0.00 174.62 173.13 2uwx s ASN 489 N -2.43 4.39 0.92 8.08 0.01 -1.26 -1.16 114.94 123.48 2uwx s ASN 489 Ca 0.00 -0.51 -0.11 0.00 -0.71 0.00 0.00 52.86 51.53 2uwx s ASN 489 Cb -0.01 -0.80 0.14 0.00 0.41 0.00 0.00 41.25 40.99 2uwx s ASN 489 CO -0.09 0.11 1.10 -0.36 -1.51 0.00 0.00 177.10 176.36 2uwx s PHE 490 N -1.65 1.94 0.34 2.20 0.08 0.29 -4.85 117.98 116.32 2uwx s PHE 490 Ca 0.25 1.53 0.13 0.00 0.12 0.00 0.00 56.93 58.96 2uwx s PHE 490 Cb -0.09 -3.20 1.01 0.00 -0.57 0.00 0.00 43.02 40.17 2uwx s PHE 490 CO 0.16 -2.66 1.70 0.00 -0.10 0.00 0.00 175.22 174.32 2uwx h ALA 491 N -1.75 1.92 -0.09 5.36 0.00 -2.01 -0.56 119.26 122.13 2uwx h ALA 491 Ca -0.47 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2uwx h ALA 491 Cb 1.27 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2uwx h ALA 491 CO 0.48 -0.46 0.00 0.27 0.00 0.00 0.00 179.25 179.54 2uwx n ASN 492 N -4.94 0.51 0.00 0.00 0.23 -1.26 -4.89 115.26 104.91 2uwx n ASN 492 Ca 0.29 -1.98 0.00 0.00 -0.53 0.00 0.00 54.58 52.37 2uwx n ASN 492 Cb 0.88 -0.06 0.00 0.00 -2.08 0.00 0.00 39.78 38.52 2uwx n ASN 492 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2uwx n GLY 493 N 0.66 3.31 3.77 4.83 0.00 -0.22 -5.06 105.19 112.48 2uwx n GLY 493 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 2uwx n GLY 493 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2uwx s ASN 494 N -0.71 6.84 0.40 1.61 0.02 -1.26 -4.68 114.94 117.16 2uwx s ASN 494 Ca 0.00 2.62 -0.25 0.00 -1.02 0.00 0.00 52.86 54.21 2uwx s ASN 494 Cb 0.00 -2.64 -0.09 0.00 0.02 0.00 0.00 41.25 38.54 2uwx s ASN 494 CO 0.00 -0.49 1.15 -2.16 0.02 0.00 0.00 177.10 175.62 2uwx s PRO 495 N -1.60 4.08 -0.25 -0.60 0.04 -1.26 0.10 135.00 135.51 2uwx s PRO 495 Ca 0.49 1.80 -0.29 0.00 0.04 0.00 0.00 61.00 63.04 2uwx s PRO 495 Cb -0.39 -2.68 -0.01 0.00 0.04 0.00 0.00 34.50 31.47 2uwx s PRO 495 CO 0.50 -0.28 1.33 0.42 0.04 0.00 0.00 177.00 179.01 2uwx s ILE 496 N -1.43 4.13 0.21 0.56 1.01 -0.31 -4.74 121.20 120.62 2uwx s ILE 496 Ca 0.57 1.30 -0.01 0.00 0.00 0.00 0.00 60.65 62.51 2uwx s ILE 496 Cb -0.30 -4.06 -0.04 0.00 0.01 0.00 0.00 42.46 38.07 2uwx s ILE 496 CO 0.37 -0.36 0.40 -0.04 0.00 0.00 0.00 174.94 175.31 2uwx s MET 497 N 4.05 3.53 -0.34 2.79 -1.94 -1.26 -4.63 119.30 121.49 2uwx s MET 497 Ca 0.58 -0.32 -0.00 0.00 -1.71 0.00 0.00 55.69 54.23 2uwx s MET 497 Cb -0.19 -2.83 0.11 0.00 2.01 0.00 0.00 34.83 33.93 2uwx s MET 497 CO 0.22 0.39 0.14 -0.47 -0.01 0.00 0.00 175.02 175.28 2uwx s TYR 498 N -1.88 1.73 0.00 -0.03 5.04 -0.67 -4.64 117.35 116.89 2uwx s TYR 498 Ca 0.39 -1.90 0.00 0.00 -2.44 0.00 0.00 57.07 53.12 2uwx s TYR 498 Cb -0.11 -1.72 0.00 0.00 0.35 0.00 0.00 41.96 40.48 2uwx s TYR 498 CO 0.29 -0.85 0.00 0.00 -1.34 0.00 0.00 175.55 173.65 2uwx n ALA 499 N 4.50 0.00 0.69 3.97 0.00 -1.26 -1.15 120.51 127.26 2uwx n ALA 499 Ca 0.01 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.53 2uwx n ALA 499 Cb 0.40 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.89 2uwx n ALA 499 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2uwx n ASN 500 N 8.45 2.11 -4.75 0.00 3.02 -1.26 -4.96 115.26 117.86 2uwx n ASN 500 Ca 0.00 -1.56 -0.40 0.00 -0.03 0.00 0.00 54.58 52.59 2uwx n ASN 500 Cb 0.00 0.16 -0.06 0.00 -0.61 0.00 0.00 39.78 39.28 2uwx n ASN 500 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2uwx s SER 501 N -1.55 7.54 0.00 6.41 0.15 -0.30 -4.94 113.70 121.01 2uwx s SER 501 Ca 0.17 2.04 0.22 0.00 0.70 0.00 0.00 55.95 59.08 2uwx s SER 501 Cb 0.13 -2.61 0.57 0.00 -1.71 0.00 0.00 66.02 62.40 2uwx s SER 501 CO 0.27 0.08 1.48 0.29 1.20 0.00 0.00 173.24 176.56 2uwx n LYS 502 N 1.40 2.55 0.00 5.44 5.02 -1.26 -1.67 118.16 129.63 2uwx n LYS 502 Ca -0.02 -2.38 0.00 0.00 -2.02 0.00 0.00 58.31 53.89 2uwx n LYS 502 Cb 0.46 -1.53 0.00 0.00 -0.02 0.00 0.00 35.03 33.95 2uwx n LYS 502 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2uwx n GLY 503 N 1.56 -0.26 0.00 0.72 0.00 -1.26 -3.24 105.19 102.71 2uwx n GLY 503 Ca 0.22 -2.27 0.00 0.00 0.00 0.00 0.00 46.02 43.97 2uwx n GLY 503 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2uwx n THR 504 N -0.45 0.00 -0.81 2.61 -2.24 0.85 -4.79 114.28 109.45 2uwx n THR 504 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2uwx n THR 504 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2uwx n THR 504 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2uwx n GLY 505 N 0.00 5.45 3.79 3.38 0.00 -1.26 -3.90 105.19 112.65 2uwx n GLY 505 Ca 0.00 -1.23 -0.35 0.00 0.00 0.00 0.00 46.02 44.44 2uwx n GLY 505 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2uwx s MET 506 N 3.78 4.09 0.12 1.61 -1.94 -1.26 -0.44 119.30 125.26 2uwx s MET 506 Ca 0.00 1.38 -0.13 0.00 -1.71 0.00 0.00 55.69 55.23 2uwx s MET 506 Cb 0.00 -2.35 0.02 0.00 2.01 0.00 0.00 34.83 34.51 2uwx s MET 506 CO 0.00 -0.19 0.32 0.00 -0.01 0.00 0.00 175.02 175.14 2uwx s MET 507 N -2.83 1.02 0.79 2.03 0.23 -0.30 -4.88 119.30 115.36 2uwx s MET 507 Ca 0.61 -0.87 -0.11 0.00 -1.03 0.00 0.00 55.69 54.29 2uwx s MET 507 Cb -0.17 0.42 0.06 0.00 -1.53 0.00 0.00 34.83 33.61 2uwx s MET 507 CO 0.22 -0.38 1.09 0.95 -2.03 0.00 0.00 175.02 174.87 2uwx s THR 508 N -3.85 3.30 0.26 3.16 -4.23 -1.26 -0.26 115.64 112.76 2uwx s THR 508 Ca 0.06 0.42 -0.03 0.00 -1.18 0.00 0.00 61.69 60.96 2uwx s THR 508 Cb 0.03 -3.00 0.27 0.00 1.34 0.00 0.00 72.50 71.13 2uwx s THR 508 CO -0.09 -0.55 1.89 0.25 -0.54 0.00 0.00 174.62 175.57 2uwx h LEU 509 N -1.12 1.06 -0.25 4.79 5.85 -1.52 -1.71 115.31 122.41 2uwx h LEU 509 Ca -0.45 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.29 2uwx h LEU 509 Cb 1.24 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 2uwx h LEU 509 CO 0.54 0.69 0.12 1.23 -0.34 0.00 0.00 178.44 180.68 2uwx h GLY 510 N 1.21 0.33 0.98 3.75 0.00 -1.88 0.28 103.07 107.73 2uwx h GLY 510 Ca 0.43 -0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.65 2uwx h GLY 510 CO -0.16 0.07 0.25 -2.09 0.00 0.00 0.00 176.54 174.61 2uwx h GLU 511 N 0.26 0.73 -0.79 4.80 4.81 -1.85 0.56 114.58 123.10 2uwx h GLU 511 Ca 0.10 -0.10 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 2uwx h GLU 511 Cb 0.03 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.24 2uwx h GLU 511 CO -0.07 0.60 0.34 0.00 -0.73 0.00 0.00 179.01 179.15 2uwx h ALA 512 N 1.09 1.12 -0.16 2.92 0.00 -1.07 -2.42 119.26 120.74 2uwx h ALA 512 Ca 0.18 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2uwx h ALA 512 Cb 0.10 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 2uwx h ALA 512 CO -0.02 0.65 -0.14 -0.07 0.00 0.00 0.00 179.25 179.66 2uwx h LEU 513 N 1.13 0.40 -1.24 0.00 3.38 -0.76 0.28 115.31 118.51 2uwx h LEU 513 Ca 0.27 -0.47 0.04 0.00 0.09 0.00 0.00 57.88 57.81 2uwx h LEU 513 Cb 0.17 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 2uwx h LEU 513 CO -0.03 0.79 0.53 0.78 0.09 0.00 0.00 178.44 180.60 2uwx h ASN 514 N 0.02 0.84 0.48 -0.43 -0.26 -0.74 -2.67 115.58 112.83 2uwx h ASN 514 Ca 0.03 -0.01 -0.12 0.00 -0.56 0.00 0.00 56.30 55.64 2uwx h ASN 514 Cb 0.67 -0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 37.72 2uwx h ASN 514 CO 0.04 0.57 -1.62 -1.22 -1.06 0.00 0.00 177.43 174.14 2uwx n TYR 515 N -4.46 0.59 -3.20 1.19 4.01 -0.92 -4.18 117.16 110.19 2uwx n TYR 515 Ca 0.11 0.19 -0.18 0.00 -0.16 0.00 0.00 57.90 57.86 2uwx n TYR 515 Cb 0.14 -0.90 0.05 0.00 -0.31 0.00 0.00 39.34 38.32 2uwx n TYR 515 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2uwx n SER 516 N -2.67 -5.28 -4.68 7.72 2.88 0.90 -4.92 113.62 107.57 2uwx n SER 516 Ca -0.10 -0.36 -0.43 0.00 -1.33 0.00 0.00 58.87 56.65 2uwx n SER 516 Cb 0.76 -3.94 -0.01 0.00 -0.75 0.00 0.00 64.21 60.26 2uwx n SER 516 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 2uwx n TRP 517 N -4.36 2.20 0.03 0.66 7.02 -0.70 -4.94 117.44 117.35 2uwx n TRP 517 Ca -0.02 0.51 -0.17 0.00 -1.02 0.00 0.00 57.50 56.80 2uwx n TRP 517 Cb 0.56 -2.43 -0.14 0.00 -2.42 0.00 0.00 31.31 26.88 2uwx n TRP 517 CO 0.00 0.00 0.00 -0.91 -2.02 0.00 0.00 177.69 174.76 2uwx h ASN 518 N 3.12 0.34 -0.57 -0.99 2.35 -1.90 -3.38 115.58 114.55 2uwx h ASN 518 Ca -0.45 -0.61 -0.02 0.00 -0.55 0.00 0.00 56.30 54.66 2uwx h ASN 518 Cb 1.28 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 39.52 2uwx h ASN 518 CO 0.67 1.53 0.27 0.40 -1.65 0.00 0.00 177.43 178.65 2uwx h ILE 519 N 0.06 1.21 -0.11 2.81 2.04 -1.88 -1.11 117.51 120.53 2uwx h ILE 519 Ca -0.32 -0.59 0.03 0.00 1.00 0.00 0.00 64.86 64.97 2uwx h ILE 519 Cb 2.03 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 38.65 2uwx h ILE 519 CO 0.12 0.24 0.08 -0.65 0.00 0.00 0.00 178.15 177.94 2uwx h PRO 520 N 0.77 0.00 -0.03 2.37 0.11 -1.73 -1.40 132.00 132.09 2uwx h PRO 520 Ca 0.20 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 66.10 2uwx h PRO 520 Cb 0.13 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.25 2uwx h PRO 520 CO -0.02 0.00 -0.77 0.00 -0.21 0.00 0.00 178.00 177.00 2uwx h ALA 521 N 1.94 0.13 -0.15 -0.75 0.00 -1.48 -2.25 119.26 116.71 2uwx h ALA 521 Ca 0.05 -0.61 0.04 0.00 0.00 0.00 0.00 54.91 54.39 2uwx h ALA 521 Cb 0.21 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 2uwx h ALA 521 CO -0.00 0.51 -0.16 -0.92 0.00 0.00 0.00 179.25 178.68 2uwx h TYR 522 N 0.17 -0.41 -0.97 0.00 3.20 -0.75 -2.07 116.97 116.13 2uwx h TYR 522 Ca -0.09 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.84 2uwx h TYR 522 Cb 1.44 0.21 -0.06 0.00 1.54 0.00 0.00 36.73 39.86 2uwx h TYR 522 CO 0.12 -0.23 0.64 -1.49 -1.64 0.00 0.00 178.16 175.56 2uwx h TRP 523 N -0.19 1.19 -0.39 -3.82 -0.00 -1.31 -1.78 115.95 109.65 2uwx h TRP 523 Ca 0.10 0.03 -0.04 0.00 -0.00 0.00 0.00 58.89 58.98 2uwx h TRP 523 Cb 0.34 -0.40 -0.02 0.00 -0.00 0.00 0.00 29.16 29.09 2uwx h TRP 523 CO -0.28 0.69 0.10 1.15 -0.00 0.00 0.00 178.44 180.09 2uwx h THR 524 N 1.23 1.23 -0.16 1.49 2.02 -1.20 -0.36 112.91 117.16 2uwx h THR 524 Ca 0.39 -0.78 -0.10 0.00 0.77 0.00 0.00 66.41 66.70 2uwx h THR 524 Cb 0.01 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 2uwx h THR 524 CO -0.12 0.27 -0.32 0.22 0.37 0.00 0.00 175.52 175.94 2uwx h TYR 525 N 0.49 0.35 -0.27 3.16 3.20 -1.10 -1.96 116.97 120.84 2uwx h TYR 525 Ca 0.12 -0.08 -0.15 0.00 3.14 0.00 0.00 58.73 61.76 2uwx h TYR 525 Cb 0.31 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.49 2uwx h TYR 525 CO 0.02 0.60 -0.42 -0.09 -1.64 0.00 0.00 178.16 176.64 2uwx h ARG 526 N 0.27 0.75 -0.92 1.82 2.43 -1.07 -1.26 114.38 116.40 2uwx h ARG 526 Ca 0.04 -0.45 0.02 0.00 -0.81 0.00 0.00 59.98 58.77 2uwx h ARG 526 Cb 0.71 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.25 2uwx h ARG 526 CO 0.05 1.08 0.60 1.98 -1.51 0.00 0.00 179.97 182.17 2uwx h MET 527 N 0.50 1.16 -0.92 0.20 4.05 -0.94 0.14 114.93 119.12 2uwx h MET 527 Ca 0.02 -0.07 0.04 0.00 -0.28 0.00 0.00 59.70 59.41 2uwx h MET 527 Cb 1.01 -0.26 -0.06 0.00 -0.80 0.00 0.00 31.60 31.50 2uwx h MET 527 CO 0.10 0.77 0.60 -0.07 0.23 0.00 0.00 176.91 178.53 2uwx h LEU 528 N 1.20 0.99 -0.17 3.39 3.38 -0.79 -1.46 115.31 121.84 2uwx h LEU 528 Ca 0.35 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.22 2uwx h LEU 528 Cb -0.07 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.46 2uwx h LEU 528 CO -0.10 0.67 -0.27 0.03 0.09 0.00 0.00 178.44 178.86 2uwx h ARG 529 N 1.15 0.48 -0.94 1.13 3.08 -0.05 -0.71 114.38 118.53 2uwx h ARG 529 Ca 0.37 -0.29 0.09 0.00 0.07 0.00 0.00 59.98 60.22 2uwx h ARG 529 Cb 0.03 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.03 2uwx h ARG 529 CO -0.13 0.89 0.58 0.93 -1.07 0.00 0.00 179.97 181.17 2uwx h GLU 530 N 0.12 0.95 -0.02 0.04 5.08 -0.72 -1.14 114.58 118.89 2uwx h GLU 530 Ca 0.01 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2uwx h GLU 530 Cb 0.85 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.88 2uwx h GLU 530 CO 0.06 0.63 0.00 0.09 -1.00 0.00 0.00 179.01 178.79 2uwx n ASN 531 N -4.63 0.43 -2.21 1.42 4.13 -0.56 -4.92 115.26 108.93 2uwx n ASN 531 Ca 0.16 -1.27 -0.18 0.00 1.68 0.00 0.00 54.58 54.96 2uwx n ASN 531 Cb 0.27 -0.01 0.00 0.00 -1.54 0.00 0.00 39.78 38.50 2uwx n ASN 531 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2uwx n GLY 532 N 0.99 -0.38 3.75 7.41 0.00 -0.43 -4.95 105.19 111.58 2uwx n GLY 532 Ca 0.20 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 2uwx n GLY 532 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2uwx s VAL 533 N -2.95 3.02 -1.27 1.61 1.01 -0.32 -4.89 120.40 116.59 2uwx s VAL 533 Ca 0.07 0.89 -0.17 0.00 0.00 0.00 0.00 61.98 62.77 2uwx s VAL 533 Cb -0.03 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.77 2uwx s VAL 533 CO 0.08 0.16 2.10 -0.67 0.00 0.00 0.00 175.10 176.77 2uwx n ASP 534 N 2.02 3.63 -0.31 3.32 2.03 -1.26 -4.70 116.55 121.28 2uwx n ASP 534 Ca 0.04 -2.80 -0.05 0.00 0.52 0.00 0.00 54.79 52.50 2uwx n ASP 534 Cb 0.42 -1.54 0.09 0.00 -0.72 0.00 0.00 41.12 39.37 2uwx n ASP 534 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 2uwx h VAL 535 N 4.35 1.26 -0.81 5.18 2.07 -1.95 -2.40 116.25 123.95 2uwx h VAL 535 Ca 0.51 -0.73 0.10 0.00 0.82 0.00 0.00 66.70 67.40 2uwx h VAL 535 Cb 0.68 0.17 -0.06 0.00 -1.52 0.00 0.00 31.29 30.57 2uwx h VAL 535 CO 1.84 0.31 0.53 0.50 0.02 0.00 0.00 177.57 180.77 2uwx h LYS 536 N 1.21 0.73 -0.47 1.57 3.64 -2.00 -1.77 116.57 119.48 2uwx h LYS 536 Ca 0.29 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.64 2uwx h LYS 536 Cb 0.12 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 2uwx h LYS 536 CO -0.04 0.48 0.30 0.78 -2.27 0.00 0.00 179.45 178.70 2uwx h GLY 537 N 0.75 0.66 0.84 5.01 0.00 -1.83 -0.48 103.07 108.02 2uwx h GLY 537 Ca 0.37 -0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.45 2uwx h GLY 537 CO -0.15 0.22 -0.31 -0.97 0.00 0.00 0.00 176.54 175.34 2uwx h TYR 538 N 0.61 -0.81 -0.71 5.60 0.05 -1.37 -2.83 116.97 117.50 2uwx h TYR 538 Ca 0.18 -0.01 -0.05 0.00 0.05 0.00 0.00 58.73 58.90 2uwx h TYR 538 Cb -0.04 0.29 -0.03 0.00 1.01 0.00 0.00 36.73 37.96 2uwx h TYR 538 CO -0.05 -0.47 0.25 0.52 -1.05 0.00 0.00 178.16 177.36 2uwx h MET 539 N -0.75 1.08 -0.01 4.88 2.86 -1.21 -2.87 114.93 118.92 2uwx h MET 539 Ca -0.05 -0.22 -0.12 0.00 -2.06 0.00 0.00 59.70 57.25 2uwx h MET 539 Cb 0.62 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.10 2uwx h MET 539 CO 0.04 0.92 -0.58 0.93 1.06 0.00 0.00 176.91 179.28 2uwx h GLU 540 N 1.03 0.02 -0.01 1.72 5.08 -1.16 -2.18 114.58 119.08 2uwx h GLU 540 Ca 0.23 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 2uwx h GLU 540 Cb 0.26 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 2uwx h GLU 540 CO -0.01 0.60 0.01 0.87 -1.00 0.00 0.00 179.01 179.47 2uwx h LYS 541 N 0.02 0.00 -0.27 2.33 1.57 -1.27 -2.02 116.57 116.93 2uwx h LYS 541 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2uwx h LYS 541 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.35 2uwx h LYS 541 CO 0.08 0.00 0.00 -1.33 -0.57 0.00 0.00 179.45 177.63 2uwx n MET 542 N -3.71 2.26 -0.80 3.15 2.81 -0.89 -4.98 117.12 114.96 2uwx n MET 542 Ca -0.03 -1.89 0.00 0.00 -1.81 0.00 0.00 57.70 53.97 2uwx n MET 542 Cb 0.09 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.12 2uwx n MET 542 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2uwx n GLY 543 N 1.38 0.70 3.75 3.03 0.00 -0.76 -4.70 105.19 108.59 2uwx n GLY 543 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2uwx n GLY 543 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2uwx s TYR 544 N -2.50 3.36 -0.38 1.61 1.51 -0.87 -4.99 117.35 115.09 2uwx s TYR 544 Ca 0.00 1.46 -0.03 0.00 -1.01 0.00 0.00 57.07 57.49 2uwx s TYR 544 Cb 0.00 -3.47 0.09 0.00 -0.11 0.00 0.00 41.96 38.47 2uwx s TYR 544 CO 0.00 -1.28 0.15 -1.21 -1.11 0.00 0.00 175.55 172.10 2uwx s GLU 545 N -0.86 2.14 -0.17 -0.62 2.02 -1.26 -4.19 118.70 115.76 2uwx s GLU 545 Ca 0.50 -1.64 0.01 0.00 0.02 0.00 0.00 54.97 53.86 2uwx s GLU 545 Cb -0.35 -3.48 0.02 0.00 0.10 0.00 0.00 34.13 30.43 2uwx s GLU 545 CO 0.41 -0.94 -0.19 0.42 0.02 0.00 0.00 175.26 174.99 2uwx s ILE 546 N 1.18 1.97 0.18 -1.63 1.01 -1.26 -4.79 121.20 117.87 2uwx s ILE 546 Ca 0.04 -0.89 0.08 0.00 0.00 0.00 0.00 60.65 59.89 2uwx s ILE 546 Cb -0.22 -1.79 -0.14 0.00 0.01 0.00 0.00 42.46 40.33 2uwx s ILE 546 CO -0.03 0.53 1.42 1.55 0.00 0.00 0.00 174.94 178.40 2uwx h PRO 547 N 7.92 0.00 -3.18 2.79 0.13 -1.99 -3.43 132.00 134.23 2uwx h PRO 547 Ca -0.44 -0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.27 2uwx h PRO 547 Cb 1.14 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.87 2uwx h PRO 547 CO 0.61 0.84 -0.75 -2.00 -0.23 0.00 0.00 178.00 176.48 2uwx s GLU 548 N -3.08 0.01 0.00 0.86 2.56 -1.26 -5.01 118.70 112.78 2uwx s GLU 548 Ca 0.00 0.12 0.26 0.00 0.00 0.00 0.00 54.97 55.35 2uwx s GLU 548 Cb 0.11 -1.24 0.77 0.00 2.00 0.00 0.00 34.13 35.77 2uwx s GLU 548 CO 0.80 -0.52 1.58 0.66 -0.56 0.00 0.00 175.26 177.22 2uwx n TYR 549 N 5.28 0.00 0.92 5.30 4.02 -1.26 -3.84 117.16 127.58 2uwx n TYR 549 Ca -0.05 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 57.97 2uwx n TYR 549 Cb 0.49 -0.14 0.53 0.00 -0.02 0.00 0.00 39.34 40.20 2uwx n TYR 549 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2uwx n GLY 550 N 1.35 -1.50 3.70 2.72 0.00 -1.26 -4.89 105.19 105.30 2uwx n GLY 550 Ca 0.12 -0.12 -0.53 0.00 0.00 0.00 0.00 46.02 45.49 2uwx n GLY 550 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2uwx n ILE 551 N -1.65 0.45 0.27 -0.61 2.08 -1.25 -4.88 119.36 113.76 2uwx n ILE 551 Ca 0.06 -0.08 0.13 0.00 0.56 0.00 0.00 62.75 63.42 2uwx n ILE 551 Cb 0.36 -1.56 0.74 0.00 -0.75 0.00 0.00 39.64 38.43 2uwx n ILE 551 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 2uwx h GLU 552 N 8.30 0.00 -0.45 0.38 5.08 -1.94 -2.89 114.58 123.05 2uwx h GLU 552 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2uwx h GLU 552 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 2uwx h GLU 552 CO 0.96 0.11 0.00 -1.13 -1.00 0.00 0.00 179.01 177.95 2uwx n SER 553 N -3.67 3.45 -0.33 1.42 3.41 -1.26 -4.57 113.62 112.07 2uwx n SER 553 Ca -0.02 -1.96 0.04 0.00 -0.26 0.00 0.00 58.87 56.66 2uwx n SER 553 Cb 0.22 -0.30 0.11 0.00 -0.26 0.00 0.00 64.21 63.99 2uwx n SER 553 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2uwx h LEU 554 N 3.99 -0.91 -2.20 1.04 5.85 -1.59 0.12 115.31 121.61 2uwx h LEU 554 Ca 0.00 0.28 0.04 0.00 0.84 0.00 0.00 57.88 59.04 2uwx h LEU 554 Cb 0.93 0.58 -0.01 0.00 0.37 0.00 0.00 40.66 42.53 2uwx h LEU 554 CO 0.00 -0.30 0.13 -0.65 -0.34 0.00 0.00 178.44 177.28 2uwx h PRO 555 N -0.01 0.00 -0.44 5.25 0.11 -1.86 0.19 132.00 135.25 2uwx h PRO 555 Ca 0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.53 2uwx h PRO 555 Cb 0.66 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.77 2uwx h PRO 555 CO -0.94 0.00 0.00 -1.33 -0.21 0.00 0.00 178.00 175.52 2uwx n MET 556 N -4.07 2.18 -0.70 1.05 2.81 0.31 -2.29 117.12 116.39 2uwx n MET 556 Ca 0.00 -1.81 0.00 0.00 -1.81 0.00 0.00 57.70 54.08 2uwx n MET 556 Cb 0.25 -1.42 0.00 0.00 -0.71 0.00 0.00 33.22 31.33 2uwx n MET 556 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2uwx n GLY 557 N 1.33 0.63 3.75 3.03 0.00 0.67 -4.07 105.19 110.53 2uwx n GLY 557 Ca 0.18 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 2uwx n GLY 557 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2uwx s GLY 558 N -2.19 2.36 -0.72 -0.02 0.00 -0.52 -3.38 107.32 102.85 2uwx s GLY 558 Ca 0.00 1.37 0.00 0.00 0.00 0.00 0.00 44.72 46.09 2uwx s GLY 558 CO 0.00 2.30 0.00 0.61 0.00 0.00 0.00 173.10 176.01 2uwx n GLY 559 N 2.04 0.90 2.86 0.20 0.00 -1.26 -3.71 105.19 106.22 2uwx n GLY 559 Ca 0.06 -0.72 -0.14 0.00 0.00 0.00 0.00 46.02 45.22 2uwx n GLY 559 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2uwx s ILE 560 N -2.25 -0.04 -0.02 -0.61 2.07 -1.22 -4.45 121.20 114.69 2uwx s ILE 560 Ca 0.00 0.14 0.00 0.00 -1.41 0.00 0.00 60.65 59.38 2uwx s ILE 560 Cb 0.00 -0.12 0.02 0.00 0.13 0.00 0.00 42.46 42.49 2uwx s ILE 560 CO 0.00 0.06 0.00 -1.61 -1.91 0.00 0.00 174.94 171.48 2uwx s GLU 561 N 0.76 0.20 0.04 3.50 2.02 -1.26 -3.87 118.70 120.09 2uwx s GLU 561 Ca -0.06 0.06 -0.02 0.00 0.02 0.00 0.00 54.97 54.97 2uwx s GLU 561 Cb -0.09 -0.35 -0.03 0.00 0.10 0.00 0.00 34.13 33.77 2uwx s GLU 561 CO -0.03 -0.09 0.00 0.14 0.02 0.00 0.00 175.26 175.30 2uwx s VAL 562 N 0.74 0.16 0.69 2.63 -7.23 -0.60 -4.69 120.40 112.09 2uwx s VAL 562 Ca -0.07 -1.32 -0.10 0.00 -1.81 0.00 0.00 61.98 58.68 2uwx s VAL 562 Cb -0.10 -0.94 0.02 0.00 0.56 0.00 0.00 36.38 35.92 2uwx s VAL 562 CO -0.02 -0.73 1.06 0.42 -0.31 0.00 0.00 175.10 175.52 2uwx s THR 563 N -2.77 3.38 0.18 5.32 -4.23 -1.26 -1.45 115.64 114.82 2uwx s THR 563 Ca -0.04 0.32 -0.09 0.00 -1.18 0.00 0.00 61.69 60.71 2uwx s THR 563 Cb -0.00 -3.42 0.05 0.00 1.34 0.00 0.00 72.50 70.46 2uwx s THR 563 CO -0.06 -0.53 1.62 0.58 -0.54 0.00 0.00 174.62 175.69 2uwx h VAL 564 N -0.58 1.27 -0.08 2.29 2.07 -1.73 -1.54 116.25 117.95 2uwx h VAL 564 Ca -0.45 -1.23 0.02 0.00 0.82 0.00 0.00 66.70 65.86 2uwx h VAL 564 Cb 1.26 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 2uwx h VAL 564 CO 0.63 0.44 -0.02 0.00 0.02 0.00 0.00 177.57 178.64 2uwx h ALA 565 N 0.97 0.05 -0.47 1.67 0.00 -1.50 -0.01 119.26 119.97 2uwx h ALA 565 Ca 0.15 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2uwx h ALA 565 Cb 0.63 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2uwx h ALA 565 CO 0.04 -0.49 0.26 0.37 0.00 0.00 0.00 179.25 179.43 2uwx h GLN 566 N -0.01 0.65 -0.18 0.00 5.75 -1.84 -2.59 115.11 116.88 2uwx h GLN 566 Ca 0.04 -0.07 -0.09 0.00 -0.15 0.00 0.00 58.65 58.37 2uwx h GLN 566 Cb 0.07 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.48 2uwx h GLN 566 CO -0.09 0.51 -0.29 1.25 -2.65 0.00 0.00 178.83 177.56 2uwx h HIS 567 N 0.61 0.40 -0.97 3.99 2.76 -1.02 -1.39 115.15 119.53 2uwx h HIS 567 Ca 0.16 -0.09 0.03 0.00 -2.20 0.00 0.00 60.37 58.28 2uwx h HIS 567 Cb 0.05 -0.10 -0.05 0.00 1.55 0.00 0.00 27.41 28.86 2uwx h HIS 567 CO -0.02 0.62 0.64 1.15 -1.30 0.00 0.00 177.93 179.02 2uwx h THR 568 N 0.31 1.19 -0.80 6.26 2.02 -0.85 -2.71 112.91 118.32 2uwx h THR 568 Ca 0.04 -0.43 0.02 0.00 0.77 0.00 0.00 66.41 66.81 2uwx h THR 568 Cb 0.68 -0.17 -0.04 0.00 -1.74 0.00 0.00 68.15 66.88 2uwx h THR 568 CO 0.05 0.23 0.53 -1.13 0.37 0.00 0.00 175.52 175.57 2uwx h ASN 569 N 1.25 0.89 -0.47 4.18 -0.73 -0.86 0.16 115.58 120.00 2uwx h ASN 569 Ca 0.38 -0.02 -0.01 0.00 1.87 0.00 0.00 56.30 58.52 2uwx h ASN 569 Cb -0.03 -0.22 -0.02 0.00 0.27 0.00 0.00 38.32 38.32 2uwx h ASN 569 CO -0.11 0.63 0.27 1.23 -0.37 0.00 0.00 177.43 179.08 2uwx h GLY 570 N 1.04 0.69 1.78 1.57 0.00 -1.25 -2.49 103.07 104.43 2uwx h GLY 570 Ca 0.31 -0.31 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 2uwx h GLY 570 CO -0.08 0.29 -0.56 -0.97 0.00 0.00 0.00 176.54 175.23 2uwx h TYR 571 N 0.62 0.29 -0.73 5.60 -1.99 -1.06 -2.69 116.97 117.02 2uwx h TYR 571 Ca 0.17 -0.10 0.12 0.00 2.00 0.00 0.00 58.73 60.91 2uwx h TYR 571 Cb 0.03 -0.05 -0.09 0.00 2.00 0.00 0.00 36.73 38.62 2uwx h TYR 571 CO -0.02 0.74 0.31 0.37 -0.00 0.00 0.00 178.16 179.56 2uwx h GLN 572 N 0.18 0.48 -0.01 4.88 -0.00 -0.63 -0.59 115.11 119.41 2uwx h GLN 572 Ca -0.00 -0.03 -0.00 0.00 -0.00 0.00 0.00 58.65 58.62 2uwx h GLN 572 Cb 1.04 -0.11 -0.00 0.00 0.00 0.00 0.00 27.48 28.41 2uwx h GLN 572 CO 0.09 0.32 0.01 1.15 0.00 0.00 0.00 178.83 180.39 2uwx h THR 573 N 0.49 1.04 -0.09 2.39 2.02 -1.12 0.56 112.91 118.20 2uwx h THR 573 Ca 0.39 -0.10 -0.00 0.00 0.77 0.00 0.00 66.41 67.46 2uwx h THR 573 Cb 0.52 1.09 -0.00 0.00 -1.74 0.00 0.00 68.15 68.02 2uwx h THR 573 CO -0.35 0.03 0.05 -0.07 0.37 0.00 0.00 175.52 175.55 2uwx h LEU 574 N -0.03 0.11 -0.38 2.58 3.38 -1.25 -0.20 115.31 119.52 2uwx h LEU 574 Ca 0.00 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 57.95 2uwx h LEU 574 Cb 0.04 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 2uwx h LEU 574 CO -0.00 0.16 0.10 0.00 0.09 0.00 0.00 178.44 178.78 2uwx h ALA 575 N 0.96 0.42 0.00 1.53 0.00 -0.99 -2.89 119.26 118.30 2uwx h ALA 575 Ca 0.03 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2uwx h ALA 575 Cb 0.07 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2uwx h ALA 575 CO -0.01 -0.30 0.00 -1.71 0.00 0.00 0.00 179.25 177.23 2uwx n ASN 576 N -5.06 3.96 -2.53 0.00 5.15 0.20 -4.78 115.26 112.20 2uwx n ASN 576 Ca 0.02 -2.04 -0.15 0.00 -0.60 0.00 0.00 54.58 51.81 2uwx n ASN 576 Cb 0.16 -0.82 -0.00 0.00 -0.53 0.00 0.00 39.78 38.59 2uwx n ASN 576 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2uwx n ASN 577 N 1.43 -4.26 0.00 1.20 5.03 -1.09 -1.62 115.26 115.95 2uwx n ASN 577 Ca 0.00 0.10 0.00 0.00 0.87 0.00 0.00 54.58 55.55 2uwx n ASN 577 Cb 0.40 -3.59 0.00 0.00 -1.02 0.00 0.00 39.78 35.57 2uwx n ASN 577 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2uwx n GLY 578 N -0.89 0.20 3.45 7.41 0.00 -0.09 -4.00 105.19 111.28 2uwx n GLY 578 Ca -0.15 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.44 2uwx n GLY 578 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2uwx s VAL 579 N -2.00 5.03 0.29 1.61 1.01 -0.64 -0.32 120.40 125.39 2uwx s VAL 579 Ca 0.00 -0.51 -0.29 0.00 0.00 0.00 0.00 61.98 61.18 2uwx s VAL 579 Cb 0.00 -4.16 -0.10 0.00 0.00 0.00 0.00 36.38 32.12 2uwx s VAL 579 CO 0.00 -0.60 1.30 -0.47 0.00 0.00 0.00 175.10 175.34 2uwx s TYR 580 N 2.26 3.13 -0.09 5.22 5.04 0.28 -4.55 117.35 128.64 2uwx s TYR 580 Ca 0.12 1.36 0.00 0.00 -2.44 0.00 0.00 57.07 56.12 2uwx s TYR 580 Cb -0.19 -3.64 0.02 0.00 0.35 0.00 0.00 41.96 38.50 2uwx s TYR 580 CO 0.12 -1.83 -0.08 -1.01 -1.34 0.00 0.00 175.55 171.42 2uwx s HIS 581 N -0.79 1.33 0.08 4.97 3.76 -1.26 -2.40 115.29 120.99 2uwx s HIS 581 Ca 0.51 -0.59 -0.32 0.00 -0.15 0.00 0.00 55.06 54.51 2uwx s HIS 581 Cb -0.39 -1.10 -0.11 0.00 1.11 0.00 0.00 32.58 32.09 2uwx s HIS 581 CO 0.48 -0.41 1.81 0.94 -0.85 0.00 0.00 174.74 176.71 2uwx n GLN 582 N 4.62 2.58 -1.58 1.40 7.27 -1.26 -4.25 117.38 126.15 2uwx n GLN 582 Ca -0.16 0.94 -0.44 0.00 0.07 0.00 0.00 57.00 57.41 2uwx n GLN 582 Cb 0.50 -2.81 -0.01 0.00 2.41 0.00 0.00 30.24 30.33 2uwx n GLN 582 CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49 2uwx n LYS 583 N 5.58 1.26 -3.51 3.69 2.85 -1.25 -4.59 118.16 122.20 2uwx n LYS 583 Ca 0.19 0.44 -0.17 0.00 -1.05 0.00 0.00 58.31 57.73 2uwx n LYS 583 Cb 0.35 -1.82 -0.05 0.00 -0.65 0.00 0.00 35.03 32.86 2uwx n LYS 583 CO 0.00 0.00 0.00 -3.38 -0.05 0.00 0.00 177.40 173.97 2uwx s HIS 584 N -1.10 -0.63 -0.03 5.58 -3.43 -0.99 -4.99 115.29 109.69 2uwx s HIS 584 Ca 0.59 0.97 0.05 0.00 -0.80 0.00 0.00 55.06 55.87 2uwx s HIS 584 Cb -0.69 0.44 -0.07 0.00 -1.43 0.00 0.00 32.58 30.83 2uwx s HIS 584 CO 0.59 -0.64 0.12 1.55 -2.00 0.00 0.00 174.74 174.37 2uwx n VAL 585 N 0.68 0.00 -3.79 -5.38 3.14 -1.26 -1.15 118.33 110.57 2uwx n VAL 585 Ca -0.18 -0.15 -0.36 0.00 -2.96 0.00 0.00 64.34 60.69 2uwx n VAL 585 Cb 0.58 0.47 -0.11 0.00 -1.06 0.00 0.00 33.84 33.72 2uwx n VAL 585 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 2uwx s ILE 586 N -2.23 4.75 -0.12 1.55 -1.09 -1.26 -0.97 121.20 121.82 2uwx s ILE 586 Ca -0.01 -0.03 0.19 0.00 -2.23 0.00 0.00 60.65 58.57 2uwx s ILE 586 Cb 0.03 -3.20 -0.23 0.00 -1.58 0.00 0.00 42.46 37.48 2uwx s ILE 586 CO 0.20 0.36 0.49 -1.54 -1.23 0.00 0.00 174.94 173.23 2uwx n SER 587 N 4.48 0.30 -3.63 3.58 3.41 0.12 -4.60 113.62 117.28 2uwx n SER 587 Ca -0.16 0.13 -0.11 0.00 -0.26 0.00 0.00 58.87 58.47 2uwx n SER 587 Cb 0.52 1.08 -0.07 0.00 -0.26 0.00 0.00 64.21 65.48 2uwx n SER 587 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2uwx s LYS 588 N -3.04 0.65 -0.10 4.33 2.20 -1.11 -0.89 119.74 121.79 2uwx s LYS 588 Ca -0.07 0.72 0.03 0.00 -0.36 0.00 0.00 55.97 56.29 2uwx s LYS 588 Cb 0.10 0.32 0.01 0.00 -1.51 0.00 0.00 37.83 36.75 2uwx s LYS 588 CO 0.85 -0.09 -0.18 0.42 -0.36 0.00 0.00 175.35 175.99 2uwx s ILE 589 N 0.17 1.63 0.07 5.43 1.01 0.94 -1.29 121.20 129.16 2uwx s ILE 589 Ca 0.01 -0.74 0.09 0.00 0.00 0.00 0.00 60.65 60.01 2uwx s ILE 589 Cb -0.05 -1.45 -0.03 0.00 0.01 0.00 0.00 42.46 40.94 2uwx s ILE 589 CO -0.03 0.46 -0.26 -1.61 0.00 0.00 0.00 174.94 173.51 2uwx s GLU 590 N 0.71 1.73 0.73 2.79 2.02 -0.52 -0.55 118.70 125.60 2uwx s GLU 590 Ca -0.12 -1.16 -0.13 0.00 0.02 0.00 0.00 54.97 53.58 2uwx s GLU 590 Cb -0.16 -1.98 0.04 0.00 0.10 0.00 0.00 34.13 32.12 2uwx s GLU 590 CO 0.03 0.50 1.11 0.00 0.02 0.00 0.00 175.26 176.92 2uwx s ALA 591 N -0.88 2.29 0.31 5.21 0.00 -0.09 -0.49 121.76 128.11 2uwx s ALA 591 Ca 0.13 0.46 0.08 0.00 0.00 0.00 0.00 51.96 52.62 2uwx s ALA 591 Cb -0.10 -3.32 0.89 0.00 0.00 0.00 0.00 23.12 20.59 2uwx s ALA 591 CO 0.03 -1.61 1.65 0.00 0.00 0.00 0.00 175.76 175.83 2uwx h ALA 592 N -0.59 1.60 0.00 0.00 0.00 -1.78 -0.28 119.26 118.20 2uwx h ALA 592 Ca -0.45 0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2uwx h ALA 592 Cb 1.24 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.29 2uwx h ALA 592 CO 0.52 -0.52 0.00 -0.40 0.00 0.00 0.00 179.25 178.85 2uwx n ASP 593 N -5.15 0.00 0.00 0.00 5.68 -1.26 -4.88 116.55 110.94 2uwx n ASP 593 Ca 0.26 -0.67 0.00 0.00 -0.50 0.00 0.00 54.79 53.89 2uwx n ASP 593 Cb 0.83 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 40.71 2uwx n ASP 593 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2uwx n GLY 594 N 1.05 1.76 3.73 6.12 0.00 -0.12 -5.07 105.19 112.67 2uwx n GLY 594 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 2uwx n GLY 594 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2uwx n ARG 595 N -1.01 2.36 -2.94 1.61 1.74 -1.26 -4.69 116.66 112.47 2uwx n ARG 595 Ca 0.00 0.83 -0.43 0.00 -0.77 0.00 0.00 57.85 57.48 2uwx n ARG 595 Cb 0.00 -2.49 -0.05 0.00 -1.02 0.00 0.00 32.46 28.90 2uwx n ARG 595 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2uwx s VAL 596 N -0.94 4.59 0.04 1.55 1.01 -1.26 -0.91 120.40 124.47 2uwx s VAL 596 Ca 0.56 0.32 -0.16 0.00 0.00 0.00 0.00 61.98 62.70 2uwx s VAL 596 Cb -0.54 -4.38 -0.30 0.00 0.00 0.00 0.00 36.38 31.16 2uwx s VAL 596 CO 0.61 -0.84 1.08 0.58 0.00 0.00 0.00 175.10 176.52 2uwx h VAL 597 N 5.99 1.30 -2.45 2.92 2.07 -1.18 -3.47 116.25 121.42 2uwx h VAL 597 Ca -0.25 -2.48 -0.09 0.00 0.82 0.00 0.00 66.70 64.70 2uwx h VAL 597 Cb 1.08 2.77 -0.22 0.00 -1.52 0.00 0.00 31.29 33.40 2uwx h VAL 597 CO 1.00 0.75 -0.07 -0.47 0.02 0.00 0.00 177.57 178.80 2uwx s TYR 598 N -2.91 -0.54 -0.13 1.57 6.14 -1.03 -4.84 117.35 115.61 2uwx s TYR 598 Ca -0.10 1.22 -0.11 0.00 0.64 0.00 0.00 57.07 58.73 2uwx s TYR 598 Cb 0.05 0.22 0.04 0.00 0.42 0.00 0.00 41.96 42.69 2uwx s TYR 598 CO 0.93 -0.35 0.35 -2.00 0.64 0.00 0.00 175.55 175.11 2uwx s GLU 599 N -0.18 0.38 0.15 4.97 2.12 -1.26 -0.04 118.70 124.83 2uwx s GLU 599 Ca -0.04 0.54 -0.31 0.00 0.36 0.00 0.00 54.97 55.53 2uwx s GLU 599 Cb -0.03 0.12 -0.09 0.00 0.26 0.00 0.00 34.13 34.39 2uwx s GLU 599 CO 0.03 -0.08 1.44 -0.47 -0.54 0.00 0.00 175.26 175.63 2uwx s TYR 600 N 0.54 3.17 -0.19 5.30 5.04 -0.07 -4.98 117.35 126.16 2uwx s TYR 600 Ca -0.03 0.89 -0.03 0.00 -2.44 0.00 0.00 57.07 55.47 2uwx s TYR 600 Cb -0.04 -3.76 -0.01 0.00 0.35 0.00 0.00 41.96 38.49 2uwx s TYR 600 CO -0.03 -2.67 -0.07 -1.14 -1.34 0.00 0.00 175.55 170.30 2uwx s GLN 601 N 0.83 3.42 0.09 4.97 0.74 -1.26 -5.03 119.66 123.42 2uwx s GLN 601 Ca 0.65 -0.63 -0.31 0.00 0.05 0.00 0.00 55.36 55.12 2uwx s GLN 601 Cb -0.39 -2.88 -0.06 0.00 1.10 0.00 0.00 33.01 30.77 2uwx s GLN 601 CO 0.33 -0.02 1.24 0.34 -0.55 0.00 0.00 175.29 176.62 2uwx s ASP 602 N 1.00 7.03 -0.53 6.67 2.15 -1.26 -5.00 116.67 126.73 2uwx s ASP 602 Ca -0.00 2.10 0.04 0.00 0.43 0.00 0.00 52.55 55.12 2uwx s ASP 602 Cb -0.15 -2.58 0.16 0.00 -0.30 0.00 0.00 42.92 40.05 2uwx s ASP 602 CO -0.00 -0.50 0.37 -0.54 -0.17 0.00 0.00 175.17 174.33 2uwx s LYS 603 N 0.93 1.60 0.41 4.34 1.02 -1.26 -5.12 119.74 121.65 2uwx s LYS 603 Ca 0.59 -2.55 -0.26 0.00 0.02 0.00 0.00 55.97 53.78 2uwx s LYS 603 Cb -0.31 -2.43 -0.08 0.00 -0.52 0.00 0.00 37.83 34.48 2uwx s LYS 603 CO 0.30 -1.29 1.27 -1.25 -0.92 0.00 0.00 175.35 173.47 2uwx s PRO 604 N -0.43 3.95 -0.06 -1.68 0.04 -1.26 -4.71 135.00 130.84 2uwx s PRO 604 Ca 0.26 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.38 2uwx s PRO 604 Cb -0.07 -2.71 0.02 0.00 0.04 0.00 0.00 34.50 31.78 2uwx s PRO 604 CO -0.13 -0.48 -0.04 0.08 0.04 0.00 0.00 177.00 176.46 2uwx s VAL 605 N -1.30 0.62 -0.96 -0.36 1.01 -1.01 -4.98 120.40 113.41 2uwx s VAL 605 Ca 0.58 -0.11 -0.24 0.00 0.00 0.00 0.00 61.98 62.21 2uwx s VAL 605 Cb -0.36 -0.67 0.02 0.00 0.00 0.00 0.00 36.38 35.37 2uwx s VAL 605 CO 0.46 0.27 1.59 -1.58 0.00 0.00 0.00 175.10 175.84 2uwx s GLN 606 N 1.30 3.25 -0.04 2.72 2.00 -1.26 -0.55 119.66 127.07 2uwx s GLN 606 Ca -0.05 -0.79 -0.24 0.00 -2.00 0.00 0.00 55.36 52.28 2uwx s GLN 606 Cb -0.14 -5.19 -0.23 0.00 0.80 0.00 0.00 33.01 28.26 2uwx s GLN 606 CO -0.02 -2.56 1.06 0.28 -0.50 0.00 0.00 175.29 173.55 2uwx h VAL 607 N 6.89 1.52 -2.87 1.34 2.07 -1.05 -3.45 116.25 120.70 2uwx h VAL 607 Ca 0.13 -1.87 -0.62 0.00 0.82 0.00 0.00 66.70 65.17 2uwx h VAL 607 Cb 1.01 2.67 -0.14 0.00 -1.52 0.00 0.00 31.29 33.32 2uwx h VAL 607 CO 1.35 0.51 -0.73 -0.31 0.02 0.00 0.00 177.57 178.42 2uwx s TYR 608 N -3.26 2.58 0.83 1.57 1.51 -1.16 -4.98 117.35 114.44 2uwx s TYR 608 Ca -0.16 -0.24 -0.11 0.00 -1.01 0.00 0.00 57.07 55.55 2uwx s TYR 608 Cb 0.01 -1.24 0.09 0.00 -0.11 0.00 0.00 41.96 40.71 2uwx s TYR 608 CO 0.74 0.54 1.10 -1.54 -1.11 0.00 0.00 175.55 175.28 2uwx s SER 609 N -2.96 3.94 0.39 2.29 1.04 -1.26 -4.52 113.70 112.62 2uwx s SER 609 Ca 0.26 1.86 0.06 0.00 0.48 0.00 0.00 55.95 58.60 2uwx s SER 609 Cb -0.08 -2.49 0.79 0.00 0.10 0.00 0.00 66.02 64.34 2uwx s SER 609 CO 0.15 -2.40 2.03 0.11 0.98 0.00 0.00 173.24 174.11 2uwx h LYS 610 N -1.38 0.64 -0.34 4.02 1.57 -1.96 -2.53 116.57 116.59 2uwx h LYS 610 Ca -0.44 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.34 2uwx h LYS 610 Cb 1.25 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 33.37 2uwx h LYS 610 CO 0.49 0.42 0.10 0.00 -0.57 0.00 0.00 179.45 179.90 2uwx h ALA 611 N 1.69 0.38 -0.22 3.86 0.00 -1.91 -2.03 119.26 121.03 2uwx h ALA 611 Ca 0.20 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 2uwx h ALA 611 Cb -0.01 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2uwx h ALA 611 CO -0.05 -0.29 -0.03 1.15 0.00 0.00 0.00 179.25 180.03 2uwx h THR 612 N 0.24 1.27 -0.24 0.00 2.02 -1.83 -1.75 112.91 112.62 2uwx h THR 612 Ca 0.16 -0.98 -0.01 0.00 0.77 0.00 0.00 66.41 66.35 2uwx h THR 612 Cb 0.14 1.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.01 2uwx h THR 612 CO -0.17 0.30 0.11 0.00 0.37 0.00 0.00 175.52 176.13 2uwx h ALA 613 N 0.77 0.31 -0.15 6.16 0.00 -1.45 -0.65 119.26 124.25 2uwx h ALA 613 Ca 0.06 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 2uwx h ALA 613 Cb 0.46 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2uwx h ALA 613 CO 0.02 -0.12 -0.42 1.79 0.00 0.00 0.00 179.25 180.51 2uwx h THR 614 N 0.25 1.31 -0.39 0.00 1.35 -1.38 0.30 112.91 114.35 2uwx h THR 614 Ca 0.08 -1.56 -0.02 0.00 -0.55 0.00 0.00 66.41 64.36 2uwx h THR 614 Cb 0.13 1.66 -0.02 0.00 -1.73 0.00 0.00 68.15 68.19 2uwx h THR 614 CO -0.01 0.47 0.18 0.40 -0.25 0.00 0.00 175.52 176.31 2uwx h ILE 615 N 0.28 1.18 -0.68 6.82 2.04 -1.16 -2.75 117.51 123.24 2uwx h ILE 615 Ca 0.02 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.35 2uwx h ILE 615 Cb 0.86 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.71 2uwx h ILE 615 CO 0.07 0.19 0.39 -0.03 0.00 0.00 0.00 178.15 178.77 2uwx h MET 616 N 0.49 0.94 -0.77 2.37 4.05 -0.08 -2.42 114.93 119.51 2uwx h MET 616 Ca 0.13 -0.10 0.16 0.00 -0.28 0.00 0.00 59.70 59.62 2uwx h MET 616 Cb 0.14 -0.19 -0.11 0.00 -0.80 0.00 0.00 31.60 30.64 2uwx h MET 616 CO -0.01 0.69 0.26 1.96 0.23 0.00 0.00 176.91 180.04 2uwx h GLN 617 N 0.93 0.34 -0.21 0.39 4.20 -0.33 -0.31 115.11 120.13 2uwx h GLN 617 Ca 0.24 -0.02 -0.11 0.00 0.06 0.00 0.00 58.65 58.82 2uwx h GLN 617 Cb 0.01 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 2uwx h GLN 617 CO -0.04 0.23 -0.36 0.78 -0.67 0.00 0.00 178.83 178.77 2uwx h GLY 618 N 0.36 0.50 0.81 3.46 0.00 -1.15 -0.56 103.07 106.49 2uwx h GLY 618 Ca 0.44 -0.47 -0.04 0.00 0.00 0.00 0.00 47.33 47.27 2uwx h GLY 618 CO -0.47 0.42 -0.02 1.41 0.00 0.00 0.00 176.54 177.88 2uwx h LEU 619 N 0.39 0.35 -1.12 3.11 3.38 -0.92 -3.24 115.31 117.26 2uwx h LEU 619 Ca 0.04 -0.33 -0.06 0.00 0.09 0.00 0.00 57.88 57.62 2uwx h LEU 619 Cb 0.81 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 2uwx h LEU 619 CO 0.07 0.60 -0.30 -0.07 0.09 0.00 0.00 178.44 178.83 2uwx h LEU 620 N 0.10 0.00 -0.58 1.67 3.38 -0.79 -2.19 115.31 116.89 2uwx h LEU 620 Ca 0.05 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.05 2uwx h LEU 620 Cb 0.43 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 2uwx h LEU 620 CO 0.01 0.30 0.34 -0.09 0.09 0.00 0.00 178.44 179.10 2uwx h ARG 621 N 0.00 0.65 0.00 1.13 2.43 -1.13 -2.54 114.38 114.92 2uwx h ARG 621 Ca -0.00 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 2uwx h ARG 621 Cb 0.77 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.17 2uwx h ARG 621 CO 0.04 0.43 -0.10 0.93 -1.51 0.00 0.00 179.97 179.76 2uwx h GLU 622 N 0.67 0.00 -0.45 0.20 4.39 -1.45 -2.50 114.58 115.44 2uwx h GLU 622 Ca 0.24 0.00 0.07 0.00 0.34 0.00 0.00 59.36 60.01 2uwx h GLU 622 Cb 0.05 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.63 2uwx h GLU 622 CO -0.11 0.10 0.08 0.28 -1.16 0.00 0.00 179.01 178.20 2uwx h VAL 623 N 0.00 0.75 0.06 3.13 2.07 -1.19 0.72 116.25 121.78 2uwx h VAL 623 Ca -0.00 -0.07 -0.28 0.00 0.82 0.00 0.00 66.70 67.17 2uwx h VAL 623 Cb 0.91 0.51 0.02 0.00 -1.52 0.00 0.00 31.29 31.22 2uwx h VAL 623 CO 0.01 0.04 -1.14 -0.07 0.02 0.00 0.00 177.57 176.44 2uwx h LEU 624 N 0.22 0.86 -0.32 2.57 3.38 -1.49 -3.28 115.31 117.25 2uwx h LEU 624 Ca 0.22 -0.74 -0.01 0.00 0.09 0.00 0.00 57.88 57.44 2uwx h LEU 624 Cb 0.29 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 2uwx h LEU 624 CO -0.30 1.54 -0.05 0.77 0.09 0.00 0.00 178.44 180.50 2uwx h SER 625 N 0.32 0.00 1.37 -0.43 4.64 -1.30 -2.60 113.55 115.55 2uwx h SER 625 Ca -0.15 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.16 2uwx h SER 625 Cb 1.80 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.89 2uwx h SER 625 CO 0.22 0.05 -0.03 0.77 -0.87 0.00 0.00 176.83 176.97 2uwx h SER 626 N 0.00 0.00 -1.03 4.97 4.64 -0.93 -3.47 113.55 117.72 2uwx h SER 626 Ca -0.00 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.92 2uwx h SER 626 Cb 0.93 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 62.86 2uwx h SER 626 CO 0.01 0.03 -0.36 0.54 -0.87 0.00 0.00 176.83 176.17 2uwx n ARG 627 N -3.12 -1.45 -0.04 4.77 1.74 -0.98 -4.89 116.66 112.69 2uwx n ARG 627 Ca 0.02 1.17 -0.15 0.00 -0.77 0.00 0.00 57.85 58.11 2uwx n ARG 627 Cb 0.40 -5.54 -0.08 0.00 -1.02 0.00 0.00 32.46 26.23 2uwx n ARG 627 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2uwx h VAL 628 N 0.00 1.35 -0.12 1.55 2.07 -1.80 -3.35 116.25 115.95 2uwx h VAL 628 Ca -0.40 -1.75 0.00 0.00 0.82 0.00 0.00 66.70 65.37 2uwx h VAL 628 Cb 1.30 2.07 0.00 0.00 -1.52 0.00 0.00 31.29 33.13 2uwx h VAL 628 CO 0.59 0.53 0.00 0.35 0.02 0.00 0.00 177.57 179.06 2uwx n THR 629 N -4.24 0.31 -3.65 2.57 -2.24 -1.26 -4.95 114.28 100.82 2uwx n THR 629 Ca -0.07 -0.65 -0.11 0.00 -2.27 0.00 0.00 64.05 60.94 2uwx n THR 629 Cb 0.57 1.02 -0.08 0.00 -2.10 0.00 0.00 70.33 69.75 2uwx n THR 629 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2uwx s THR 630 N -0.99 -0.00 -2.08 4.28 -1.32 -1.26 -4.28 115.64 109.99 2uwx s THR 630 Ca 0.17 0.01 0.25 0.00 -1.21 0.00 0.00 61.69 60.91 2uwx s THR 630 Cb 0.11 -0.93 0.68 0.00 -1.51 0.00 0.00 72.50 70.85 2uwx s THR 630 CO 0.15 0.00 1.91 0.35 -2.21 0.00 0.00 174.62 174.83 2uwx n THR 631 N 3.33 0.02 -0.31 5.08 -2.24 -0.63 -4.35 114.28 115.18 2uwx n THR 631 Ca -0.16 -0.06 0.08 0.00 -2.27 0.00 0.00 64.05 61.63 2uwx n THR 631 Cb 0.57 -0.23 0.18 0.00 -2.10 0.00 0.00 70.33 68.75 2uwx n THR 631 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2uwx h PHE 632 N 0.46 -0.25 -0.60 4.78 3.04 -1.83 -1.88 116.94 120.66 2uwx h PHE 632 Ca 0.00 0.07 -0.03 0.00 3.98 0.00 0.00 57.97 61.99 2uwx h PHE 632 Cb 0.10 0.25 -0.03 0.00 2.56 0.00 0.00 35.95 38.84 2uwx h PHE 632 CO 0.01 -0.37 0.26 -0.22 -2.02 0.00 0.00 178.31 175.97 2uwx h LYS 633 N 0.03 0.89 -0.68 1.11 3.64 -1.82 -0.08 116.57 119.66 2uwx h LYS 633 Ca 0.48 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.70 2uwx h LYS 633 Cb 0.85 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.49 2uwx h LYS 633 CO -0.87 0.74 0.37 0.77 -2.27 0.00 0.00 179.45 178.19 2uwx h SER 634 N 0.83 0.84 0.20 4.20 0.02 -1.72 -0.86 113.55 117.06 2uwx h SER 634 Ca 0.20 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 2uwx h SER 634 Cb 0.18 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.50 2uwx h SER 634 CO -0.02 0.70 -0.10 0.78 -1.14 0.00 0.00 176.83 177.05 2uwx h ASN 635 N 0.93 -0.23 -0.50 3.07 2.35 -0.84 -2.53 115.58 117.83 2uwx h ASN 635 Ca 0.24 -0.09 -0.10 0.00 -0.55 0.00 0.00 56.30 55.80 2uwx h ASN 635 Cb 0.04 0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 2uwx h ASN 635 CO -0.04 -0.05 -0.07 0.25 -1.65 0.00 0.00 177.43 175.87 2uwx h LEU 636 N -0.40 0.96 -0.53 1.61 5.85 -1.02 -2.52 115.31 119.26 2uwx h LEU 636 Ca -0.03 -0.29 0.09 0.00 0.84 0.00 0.00 57.88 58.49 2uwx h LEU 636 Cb 0.31 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 41.00 2uwx h LEU 636 CO 0.05 1.06 0.12 0.74 -0.34 0.00 0.00 178.44 180.06 2uwx h THR 637 N 0.88 0.71 -0.38 1.05 2.02 -1.13 0.19 112.91 116.25 2uwx h THR 637 Ca 0.15 -0.09 -0.03 0.00 0.77 0.00 0.00 66.41 67.20 2uwx h THR 637 Cb 0.61 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 2uwx h THR 637 CO 0.04 0.05 0.10 0.28 0.37 0.00 0.00 175.52 176.36 2uwx h SER 638 N 0.26 0.56 -0.06 4.18 0.02 -1.26 -2.37 113.55 114.88 2uwx h SER 638 Ca 0.27 -0.22 -0.13 0.00 -0.84 0.00 0.00 61.79 60.87 2uwx h SER 638 Cb 0.37 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 2uwx h SER 638 CO -0.34 0.64 -0.40 -0.07 -1.14 0.00 0.00 176.83 175.52 2uwx h LEU 639 N 0.47 0.62 -5.00 5.07 3.38 -1.01 -3.42 115.31 115.41 2uwx h LEU 639 Ca 0.12 -0.27 -0.13 0.00 0.09 0.00 0.00 57.88 57.69 2uwx h LEU 639 Cb 0.28 -0.17 -0.15 0.00 0.09 0.00 0.00 40.66 40.71 2uwx h LEU 639 CO -0.00 0.94 -0.40 -3.20 0.09 0.00 0.00 178.44 175.88 2uwx n ASN 640 N -4.03 -2.85 -0.20 -0.43 4.05 0.64 -5.03 115.26 107.40 2uwx n ASN 640 Ca -0.02 -2.59 0.10 0.00 0.45 0.00 0.00 54.58 52.53 2uwx n ASN 640 Cb 0.51 1.53 0.39 0.00 1.23 0.00 0.00 39.78 43.44 2uwx n ASN 640 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 2uwx h PRO 641 N 4.51 0.65 -0.41 1.20 0.13 -1.55 0.06 132.00 136.60 2uwx h PRO 641 Ca -0.02 -0.04 -0.15 0.00 -0.87 0.00 0.00 66.00 64.92 2uwx h PRO 641 Cb 1.11 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.08 2uwx h PRO 641 CO 0.05 0.43 -0.34 1.15 -0.23 0.00 0.00 178.00 179.06 2uwx h THR 642 N 0.67 1.27 -0.37 1.56 2.02 -1.91 -2.00 112.91 114.15 2uwx h THR 642 Ca 0.36 -1.51 -0.09 0.00 0.77 0.00 0.00 66.41 65.95 2uwx h THR 642 Cb 0.50 1.31 -0.02 0.00 -1.74 0.00 0.00 68.15 68.20 2uwx h THR 642 CO -0.14 0.51 -0.13 0.25 0.37 0.00 0.00 175.52 176.39 2uwx h LEU 643 N 0.79 0.64 -2.36 2.58 5.85 -1.73 -2.93 115.31 118.16 2uwx h LEU 643 Ca 0.08 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 2uwx h LEU 643 Cb 0.93 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.78 2uwx h LEU 643 CO 0.09 0.80 -0.04 0.00 -0.34 0.00 0.00 178.44 178.95 2uwx h ALA 644 N 1.27 1.37 0.00 1.25 0.00 -0.70 -1.18 119.26 121.27 2uwx h ALA 644 Ca 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2uwx h ALA 644 Cb 0.56 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2uwx h ALA 644 CO 0.04 0.05 -0.02 0.09 0.00 0.00 0.00 179.25 179.40 2uwx n ASN 645 N -3.66 0.18 -4.32 0.00 3.02 -0.78 -4.83 115.26 104.87 2uwx n ASN 645 Ca -0.03 0.49 -0.32 0.00 -0.03 0.00 0.00 54.58 54.70 2uwx n ASN 645 Cb 0.13 -0.54 0.17 0.00 -0.61 0.00 0.00 39.78 38.93 2uwx n ASN 645 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2uwx n ALA 646 N -1.56 -3.78 -3.15 5.41 0.00 -0.45 -4.90 120.51 112.09 2uwx n ALA 646 Ca 0.07 -1.16 -0.45 0.00 0.00 0.00 0.00 53.44 51.90 2uwx n ALA 646 Cb 0.36 -1.61 -0.00 0.00 0.00 0.00 0.00 19.45 18.20 2uwx n ALA 646 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2uwx s ASP 647 N -1.91 7.13 0.07 0.00 2.15 -1.26 -4.99 116.67 117.85 2uwx s ASP 647 Ca 0.57 -3.17 -0.24 0.00 0.43 0.00 0.00 52.55 50.14 2uwx s ASP 647 Cb -0.14 -2.30 -0.06 0.00 -0.30 0.00 0.00 42.92 40.11 2uwx s ASP 647 CO 0.66 -0.55 0.74 0.26 -0.17 0.00 0.00 175.17 176.11 2uwx s TRP 648 N 0.29 3.78 0.13 -5.34 0.52 -1.26 -4.28 118.94 112.77 2uwx s TRP 648 Ca 0.35 1.47 0.05 0.00 0.02 0.00 0.00 56.10 58.00 2uwx s TRP 648 Cb -0.07 -2.77 -0.04 0.00 -1.15 0.00 0.00 33.47 29.45 2uwx s TRP 648 CO -0.05 0.36 -0.13 0.96 0.02 0.00 0.00 176.95 178.11 2uwx s ILE 649 N -0.40 1.26 0.01 2.03 -4.36 -0.17 -4.53 121.20 115.05 2uwx s ILE 649 Ca 0.37 -1.78 -0.28 0.00 -0.26 0.00 0.00 60.65 58.70 2uwx s ILE 649 Cb -0.21 -1.57 0.09 0.00 1.25 0.00 0.00 42.46 42.02 2uwx s ILE 649 CO 0.23 -0.50 1.25 -0.83 0.24 0.00 0.00 174.94 175.33 2uwx s GLY 650 N -2.60 -0.09 -0.11 6.27 0.00 -0.98 -0.98 107.32 108.82 2uwx s GLY 650 Ca 0.10 -0.01 -0.21 0.00 0.00 0.00 0.00 44.72 44.60 2uwx s GLY 650 CO 0.02 5.02 0.52 1.25 0.00 0.00 0.00 173.10 179.92 2uwx s LYS 651 N -2.05 0.77 0.25 2.90 2.47 -0.73 -4.53 119.74 118.81 2uwx s LYS 651 Ca 0.28 0.37 0.08 0.00 -1.56 0.00 0.00 55.97 55.14 2uwx s LYS 651 Cb -0.01 0.36 -0.04 0.00 -1.46 0.00 0.00 37.83 36.69 2uwx s LYS 651 CO 0.00 -0.18 0.10 0.95 0.16 0.00 0.00 175.35 176.38 2uwx s THR 652 N -0.56 3.99 -0.02 3.43 -4.23 -1.26 -1.07 115.64 115.92 2uwx s THR 652 Ca -0.07 -1.60 -0.15 0.00 -1.18 0.00 0.00 61.69 58.69 2uwx s THR 652 Cb -0.03 -3.13 0.03 0.00 1.34 0.00 0.00 72.50 70.71 2uwx s THR 652 CO 0.04 -0.33 0.32 -0.83 -0.54 0.00 0.00 174.62 173.29 2uwx s GLY 653 N -3.66 -0.17 -0.03 3.99 0.00 -0.73 -3.21 107.32 103.50 2uwx s GLY 653 Ca 0.32 0.40 0.00 0.00 0.00 0.00 0.00 44.72 45.44 2uwx s GLY 653 CO 0.22 0.19 0.01 -1.59 0.00 0.00 0.00 173.10 171.94 2uwx s THR 654 N -1.22 0.10 0.84 0.90 2.01 -1.26 -0.88 115.64 116.13 2uwx s THR 654 Ca -0.13 0.14 -0.12 0.00 0.31 0.00 0.00 61.69 61.90 2uwx s THR 654 Cb -0.05 -0.22 0.10 0.00 0.01 0.00 0.00 72.50 72.34 2uwx s THR 654 CO 0.04 0.13 1.17 0.42 -0.69 0.00 0.00 174.62 175.69 2uwx s THR 655 N 1.12 2.00 0.40 -0.82 -4.23 -0.54 -4.86 115.64 108.70 2uwx s THR 655 Ca -0.08 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 60.51 2uwx s THR 655 Cb -0.13 -2.92 0.20 0.00 1.34 0.00 0.00 72.50 70.99 2uwx s THR 655 CO -0.02 0.00 1.97 0.78 -0.54 0.00 0.00 174.62 176.81 2uwx h ASN 656 N -1.20 0.34 -0.68 3.99 2.35 -1.95 -1.61 115.58 116.81 2uwx h ASN 656 Ca -0.47 -0.04 -0.38 0.00 -0.55 0.00 0.00 56.30 54.86 2uwx h ASN 656 Cb 1.33 -0.09 -0.22 0.00 0.05 0.00 0.00 38.32 39.39 2uwx h ASN 656 CO 0.64 0.37 0.25 0.00 -1.65 0.00 0.00 177.43 177.04 2uwx n GLN 657 N -4.36 2.16 -2.10 0.81 1.13 -1.26 -4.91 117.38 108.85 2uwx n GLN 657 Ca 0.01 -3.19 -0.18 0.00 -1.94 0.00 0.00 57.00 51.70 2uwx n GLN 657 Cb 0.18 -2.03 -0.03 0.00 0.11 0.00 0.00 30.24 28.47 2uwx n GLN 657 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2uwx n ASP 658 N -1.10 -4.97 0.11 1.08 8.00 -0.60 -4.41 116.55 114.66 2uwx n ASP 658 Ca 0.47 0.20 -0.04 0.00 0.71 0.00 0.00 54.79 56.13 2uwx n ASP 658 Cb 1.25 -4.26 0.11 0.00 -0.02 0.00 0.00 41.12 38.19 2uwx n ASP 658 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2uwx h GLU 659 N 0.00 0.11 -3.48 -1.24 5.08 -1.84 -0.24 114.58 112.98 2uwx h GLU 659 Ca -0.40 -0.09 -0.24 0.00 -1.00 0.00 0.00 59.36 57.63 2uwx h GLU 659 Cb 1.25 0.02 -0.30 0.00 0.50 0.00 0.00 28.75 30.22 2uwx h GLU 659 CO 0.51 0.74 -0.65 -0.80 -1.00 0.00 0.00 179.01 177.80 2uwx s ASN 660 N -6.87 -0.04 0.04 1.42 0.01 -1.26 -4.10 114.94 104.14 2uwx s ASN 660 Ca -0.02 0.15 0.09 0.00 -0.71 0.00 0.00 52.86 52.37 2uwx s ASN 660 Cb 0.12 0.09 -0.03 0.00 0.41 0.00 0.00 41.25 41.84 2uwx s ASN 660 CO 0.79 -0.08 -0.26 -0.04 -1.51 0.00 0.00 177.10 175.99 2uwx s MET 661 N 0.60 1.84 -0.02 -0.60 -1.94 -0.54 -1.47 119.30 117.16 2uwx s MET 661 Ca -0.05 -1.09 0.05 0.00 -1.71 0.00 0.00 55.69 52.89 2uwx s MET 661 Cb -0.07 -1.99 -0.01 0.00 2.01 0.00 0.00 34.83 34.77 2uwx s MET 661 CO -0.02 0.52 -0.17 -1.58 -0.01 0.00 0.00 175.02 173.76 2uwx s TRP 662 N -0.79 1.57 -0.12 -0.03 0.52 -0.06 -1.29 118.94 118.75 2uwx s TRP 662 Ca 0.12 -0.35 -0.01 0.00 0.02 0.00 0.00 56.10 55.88 2uwx s TRP 662 Cb -0.10 -1.03 0.03 0.00 -1.15 0.00 0.00 33.47 31.22 2uwx s TRP 662 CO 0.02 -0.07 -0.05 -1.17 0.02 0.00 0.00 176.95 175.69 2uwx s LEU 663 N -0.24 1.12 -0.21 2.99 2.96 0.32 -1.77 118.68 123.85 2uwx s LEU 663 Ca 0.03 -0.33 -0.07 0.00 -0.22 0.00 0.00 54.13 53.54 2uwx s LEU 663 Cb -0.08 -0.76 -0.04 0.00 0.50 0.00 0.00 46.19 45.82 2uwx s LEU 663 CO 0.00 -0.15 0.06 -0.04 -1.32 0.00 0.00 176.35 174.90 2uwx s MET 664 N 1.76 3.82 -0.06 1.98 -1.94 -0.23 -1.23 119.30 123.40 2uwx s MET 664 Ca 0.04 -0.41 0.05 0.00 -1.71 0.00 0.00 55.69 53.66 2uwx s MET 664 Cb -0.13 -3.24 -0.00 0.00 2.01 0.00 0.00 34.83 33.47 2uwx s MET 664 CO -0.07 0.08 -0.20 -0.51 -0.01 0.00 0.00 175.02 174.31 2uwx s LEU 665 N 0.88 1.97 0.04 -0.03 1.43 -0.15 -1.77 118.68 121.05 2uwx s LEU 665 Ca 0.03 -0.43 0.05 0.00 -1.03 0.00 0.00 54.13 52.75 2uwx s LEU 665 Cb -0.14 -1.15 -0.02 0.00 0.03 0.00 0.00 46.19 44.91 2uwx s LEU 665 CO 0.02 0.17 -0.15 -0.44 0.23 0.00 0.00 176.35 176.19 2uwx s SER 666 N 0.07 1.74 0.44 2.29 0.01 -0.16 0.08 113.70 118.19 2uwx s SER 666 Ca -0.07 -0.46 0.07 0.00 1.31 0.00 0.00 55.95 56.80 2uwx s SER 666 Cb -0.14 -0.12 -0.01 0.00 0.21 0.00 0.00 66.02 65.97 2uwx s SER 666 CO 0.04 0.05 0.36 0.42 0.41 0.00 0.00 173.24 174.52 2uwx s THR 667 N -0.85 2.42 0.50 1.44 -4.23 0.07 -1.00 115.64 113.98 2uwx s THR 667 Ca 0.02 -1.41 0.27 0.00 -1.18 0.00 0.00 61.69 59.38 2uwx s THR 667 Cb -0.08 -2.83 0.45 0.00 1.34 0.00 0.00 72.50 71.38 2uwx s THR 667 CO 0.01 0.00 1.87 -0.65 -0.54 0.00 0.00 174.62 175.32 2uwx h PRO 668 N 1.02 0.13 0.12 3.99 0.11 -1.80 -3.11 132.00 132.46 2uwx h PRO 668 Ca -0.40 -0.01 -0.34 0.00 0.11 0.00 0.00 66.00 65.35 2uwx h PRO 668 Cb 1.27 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 2uwx h PRO 668 CO 0.59 0.09 -1.85 0.00 -0.21 0.00 0.00 178.00 176.62 2uwx h ARG 669 N 0.14 0.25 -5.56 1.05 3.08 -1.89 -3.45 114.38 108.00 2uwx h ARG 669 Ca 0.45 -0.43 -0.45 0.00 0.07 0.00 0.00 59.98 59.62 2uwx h ARG 669 Cb 1.53 0.16 -0.19 0.00 0.08 0.00 0.00 29.97 31.56 2uwx h ARG 669 CO -0.07 1.12 -0.77 -0.51 -1.07 0.00 0.00 179.97 178.67 2uwx s LEU 670 N -6.95 2.39 -0.06 3.04 1.43 -1.18 -0.78 118.68 116.58 2uwx s LEU 670 Ca -0.17 -0.80 0.04 0.00 -1.03 0.00 0.00 54.13 52.17 2uwx s LEU 670 Cb 0.07 -0.62 0.00 0.00 0.03 0.00 0.00 46.19 45.67 2uwx s LEU 670 CO 0.81 -0.10 -0.17 -0.89 0.23 0.00 0.00 176.35 176.22 2uwx s THR 671 N -1.99 1.47 -0.18 5.49 2.01 -0.50 -0.75 115.64 121.19 2uwx s THR 671 Ca 0.09 -0.71 0.00 0.00 0.31 0.00 0.00 61.69 61.39 2uwx s THR 671 Cb -0.06 -1.29 0.01 0.00 0.01 0.00 0.00 72.50 71.18 2uwx s THR 671 CO 0.04 0.43 -0.17 -0.22 -0.69 0.00 0.00 174.62 174.00 2uwx s LEU 672 N 0.29 2.28 0.06 4.42 2.96 0.11 -0.33 118.68 128.47 2uwx s LEU 672 Ca -0.10 -0.59 -0.03 0.00 -0.22 0.00 0.00 54.13 53.19 2uwx s LEU 672 Cb -0.14 -1.52 -0.05 0.00 0.50 0.00 0.00 46.19 44.98 2uwx s LEU 672 CO 0.04 0.01 0.26 -0.83 -1.32 0.00 0.00 176.35 174.51 2uwx s GLY 673 N 1.22 2.21 -0.07 7.98 0.00 -0.50 -0.97 107.32 117.19 2uwx s GLY 673 Ca 0.03 -0.71 -0.03 0.00 0.00 0.00 0.00 44.72 44.01 2uwx s GLY 673 CO -0.09 -0.63 0.15 -0.32 0.00 0.00 0.00 173.10 172.22 2uwx s GLY 674 N -2.24 -0.03 -0.01 0.20 0.00 -0.37 -2.41 107.32 102.47 2uwx s GLY 674 Ca 0.34 0.69 0.08 0.00 0.00 0.00 0.00 44.72 45.83 2uwx s GLY 674 CO 0.23 1.10 -0.26 0.86 0.00 0.00 0.00 173.10 175.04 2uwx s TRP 675 N 1.33 2.34 0.15 1.90 -0.00 -0.70 -0.52 118.94 123.43 2uwx s TRP 675 Ca -0.08 -0.43 0.06 0.00 -0.00 0.00 0.00 56.10 55.65 2uwx s TRP 675 Cb -0.12 -1.48 -0.04 0.00 -0.00 0.00 0.00 33.47 31.83 2uwx s TRP 675 CO -0.06 0.00 -0.13 0.96 -0.00 0.00 0.00 176.95 177.72 2uwx s ILE 676 N -0.65 1.35 -2.23 5.86 -4.36 -0.41 -1.19 121.20 119.57 2uwx s ILE 676 Ca 0.10 -1.93 0.00 0.00 -0.26 0.00 0.00 60.65 58.56 2uwx s ILE 676 Cb -0.10 -1.74 0.00 0.00 1.25 0.00 0.00 42.46 41.87 2uwx s ILE 676 CO -0.00 -0.57 0.00 0.61 0.24 0.00 0.00 174.94 175.22 2uwx n GLY 677 N 0.10 -1.73 3.49 6.27 0.00 -0.97 -1.47 105.19 110.88 2uwx n GLY 677 Ca -0.12 -1.10 -0.33 0.00 0.00 0.00 0.00 46.02 44.46 2uwx n GLY 677 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2uwx s HIS 678 N -2.30 2.78 0.37 1.61 3.76 -1.26 -1.36 115.29 118.89 2uwx s HIS 678 Ca 0.00 -0.19 0.14 0.00 -0.15 0.00 0.00 55.06 54.86 2uwx s HIS 678 Cb 0.00 -1.69 0.98 0.00 1.11 0.00 0.00 32.58 32.98 2uwx s HIS 678 CO 0.00 0.16 1.80 -0.44 -0.85 0.00 0.00 174.74 175.40 2uwx h ASP 679 N 5.56 0.55 -0.59 1.40 5.19 -1.95 -1.17 116.42 125.41 2uwx h ASP 679 Ca -0.44 0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.05 2uwx h ASP 679 Cb 1.17 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.66 2uwx h ASP 679 CO 0.52 0.17 0.00 -0.90 -3.12 0.00 0.00 179.24 175.91 2uwx n ASP 680 N -4.64 3.53 0.00 6.45 5.75 -1.26 -4.97 116.55 121.42 2uwx n ASP 680 Ca 0.23 -2.13 0.00 0.00 -0.01 0.00 0.00 54.79 52.88 2uwx n ASP 680 Cb 0.72 -0.45 0.00 0.00 -1.03 0.00 0.00 41.12 40.36 2uwx n ASP 680 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2uwx n ASN 681 N 1.16 -2.62 -4.74 -1.12 3.02 -0.44 -5.02 115.26 105.50 2uwx n ASN 681 Ca 0.21 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.45 2uwx n ASN 681 Cb 0.60 -1.31 0.11 0.00 -0.61 0.00 0.00 39.78 38.57 2uwx n ASN 681 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 2uwx s HIS 682 N -2.11 2.43 0.41 3.10 -3.43 -1.26 -4.83 115.29 109.60 2uwx s HIS 682 Ca 0.00 1.44 -0.26 0.00 -0.80 0.00 0.00 55.06 55.44 2uwx s HIS 682 Cb 0.00 -3.10 -0.09 0.00 -1.43 0.00 0.00 32.58 27.96 2uwx s HIS 682 CO 0.00 -2.09 1.36 -1.12 -2.00 0.00 0.00 174.74 170.88 2uwx s SER 683 N -3.37 6.22 0.68 7.38 0.01 -1.26 -4.47 113.70 118.89 2uwx s SER 683 Ca 0.62 2.78 -0.04 0.00 1.31 0.00 0.00 55.95 60.62 2uwx s SER 683 Cb -0.18 -2.65 0.07 0.00 0.21 0.00 0.00 66.02 63.48 2uwx s SER 683 CO 0.57 -0.93 0.97 -0.76 0.41 0.00 0.00 173.24 173.50 2uwx s LEU 684 N -2.44 2.94 0.88 2.44 1.43 -0.10 -4.89 118.68 118.95 2uwx s LEU 684 Ca 0.57 0.23 -0.10 0.00 -1.03 0.00 0.00 54.13 53.80 2uwx s LEU 684 Cb -0.41 -2.87 0.12 0.00 0.03 0.00 0.00 46.19 43.07 2uwx s LEU 684 CO 0.53 -1.58 1.12 -0.94 0.23 0.00 0.00 176.35 175.71 2uwx s SER 685 N -4.54 3.33 0.44 2.29 1.04 -1.26 -4.78 113.70 110.21 2uwx s SER 685 Ca 0.61 2.03 0.13 0.00 0.48 0.00 0.00 55.95 59.19 2uwx s SER 685 Cb -0.10 -2.53 0.97 0.00 0.10 0.00 0.00 66.02 64.46 2uwx s SER 685 CO 0.43 -2.82 2.00 1.56 0.98 0.00 0.00 173.24 175.39 2uwx h GLN 686 N -1.67 0.10 -0.01 4.02 4.20 -1.98 -2.83 115.11 116.95 2uwx h GLN 686 Ca -0.44 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.25 2uwx h GLN 686 Cb 1.26 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.02 2uwx h GLN 686 CO 0.45 0.22 -0.26 1.04 -0.67 0.00 0.00 178.83 179.61 2uwx n GLN 687 N -4.35 0.99 -0.35 1.46 6.02 -1.26 -4.58 117.38 115.30 2uwx n GLN 687 Ca -0.02 -0.63 0.10 0.00 -0.01 0.00 0.00 57.00 56.44 2uwx n GLN 687 Cb 0.22 -1.49 0.28 0.00 1.02 0.00 0.00 30.24 30.26 2uwx n GLN 687 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2uwx h ALA 688 N 3.79 1.56 0.01 -1.58 0.00 -1.87 -1.01 119.26 120.15 2uwx h ALA 688 Ca 0.00 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2uwx h ALA 688 Cb 0.55 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2uwx h ALA 688 CO 0.00 0.07 -0.00 0.78 0.00 0.00 0.00 179.25 180.09 2uwx h GLY 689 N 0.85 -0.01 0.40 0.00 0.00 -1.84 -0.04 103.07 102.43 2uwx h GLY 689 Ca 0.53 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.98 2uwx h GLY 689 CO -0.33 -0.00 0.42 -1.82 0.00 0.00 0.00 176.54 174.81 2uwx h TYR 690 N -0.97 0.75 0.00 5.60 3.20 -1.68 -3.11 116.97 120.77 2uwx h TYR 690 Ca -0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2uwx h TYR 690 Cb 0.76 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.81 2uwx h TYR 690 CO 0.21 0.25 -0.04 0.45 -1.64 0.00 0.00 178.16 177.39 2uwx n SER 691 N -4.83 0.18 -0.04 -2.11 2.88 -0.41 -1.61 113.62 107.68 2uwx n SER 691 Ca 0.14 0.03 -0.08 0.00 -1.33 0.00 0.00 58.87 57.62 2uwx n SER 691 Cb 0.33 -0.20 -0.03 0.00 -0.75 0.00 0.00 64.21 63.57 2uwx n SER 691 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 2uwx h ASN 692 N -0.04 -0.15 0.39 -3.46 4.21 -1.52 -1.72 115.58 113.29 2uwx h ASN 692 Ca 0.00 0.06 -0.13 0.00 1.21 0.00 0.00 56.30 57.43 2uwx h ASN 692 Cb 0.04 0.11 -0.01 0.00 -1.12 0.00 0.00 38.32 37.34 2uwx h ASN 692 CO 0.00 -0.05 -0.56 -1.13 -1.29 0.00 0.00 177.43 174.40 2uwx h ASN 693 N 0.02 0.19 -0.46 5.81 -1.24 -1.11 -1.18 115.58 117.62 2uwx h ASN 693 Ca 0.10 -0.10 -0.04 0.00 0.71 0.00 0.00 56.30 56.97 2uwx h ASN 693 Cb 0.14 -0.06 -0.02 0.00 0.73 0.00 0.00 38.32 39.12 2uwx h ASN 693 CO -0.20 0.71 0.14 0.28 -1.29 0.00 0.00 177.43 177.08 2uwx h SER 694 N 0.13 0.67 -0.13 1.15 0.02 -1.42 0.13 113.55 114.11 2uwx h SER 694 Ca -0.00 -0.21 -0.05 0.00 -0.84 0.00 0.00 61.79 60.69 2uwx h SER 694 Cb 1.03 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 63.39 2uwx h SER 694 CO 0.08 0.70 -0.10 -1.13 -1.14 0.00 0.00 176.83 175.25 2uwx h ASN 695 N 0.61 0.31 0.05 3.07 -0.00 -1.16 -0.35 115.58 118.11 2uwx h ASN 695 Ca 0.15 -0.45 0.00 0.00 -0.00 0.00 0.00 56.30 55.99 2uwx h ASN 695 Cb 0.27 -0.09 -0.00 0.00 -0.00 0.00 0.00 38.32 38.51 2uwx h ASN 695 CO -0.00 0.70 -0.04 0.22 -0.00 0.00 0.00 177.43 178.31 2uwx h TYR 696 N -0.08 -0.10 -0.92 0.67 3.20 -1.17 -1.33 116.97 117.24 2uwx h TYR 696 Ca 0.02 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.94 2uwx h TYR 696 Cb 0.60 0.04 -0.06 0.00 1.54 0.00 0.00 36.73 38.85 2uwx h TYR 696 CO 0.08 -0.06 0.60 0.52 -1.64 0.00 0.00 178.16 177.66 2uwx h MET 697 N -0.09 1.09 -0.42 1.82 2.86 -0.73 0.26 114.93 119.72 2uwx h MET 697 Ca -0.00 -0.07 0.08 0.00 -2.06 0.00 0.00 59.70 57.66 2uwx h MET 697 Cb 0.08 -0.25 -0.08 0.00 0.06 0.00 0.00 31.60 31.42 2uwx h MET 697 CO -0.00 0.72 -0.10 0.00 1.06 0.00 0.00 176.91 178.59 2uwx h ALA 698 N 1.48 0.28 -0.76 6.32 0.00 -0.64 0.96 119.26 126.89 2uwx h ALA 698 Ca 0.38 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.45 2uwx h ALA 698 Cb 0.08 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 2uwx h ALA 698 CO -0.13 -0.45 0.46 0.45 0.00 0.00 0.00 179.25 179.58 2uwx h HIS 699 N 0.01 1.01 -0.19 0.00 -0.00 -0.47 -1.77 115.15 113.73 2uwx h HIS 699 Ca 0.20 -0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.56 2uwx h HIS 699 Cb 0.31 -0.33 -0.01 0.00 -0.00 0.00 0.00 27.41 27.38 2uwx h HIS 699 CO -0.36 0.68 0.11 1.25 -0.00 0.00 0.00 177.93 179.61 2uwx h LEU 700 N 1.04 0.24 -0.84 2.43 5.85 -0.36 -0.26 115.31 123.41 2uwx h LEU 700 Ca 0.27 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 2uwx h LEU 700 Cb -0.03 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 2uwx h LEU 700 CO -0.05 0.23 0.39 0.58 -0.34 0.00 0.00 178.44 179.25 2uwx h VAL 701 N 0.22 1.26 -0.48 1.05 2.07 -0.70 -1.91 116.25 117.77 2uwx h VAL 701 Ca 0.07 -0.75 -0.08 0.00 0.82 0.00 0.00 66.70 66.76 2uwx h VAL 701 Cb 0.04 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 29.98 2uwx h VAL 701 CO -0.01 0.32 -0.01 -1.13 0.02 0.00 0.00 177.57 176.76 2uwx h ASN 702 N 1.21 0.83 -0.82 0.57 -1.24 -1.09 -1.98 115.58 113.06 2uwx h ASN 702 Ca 0.29 -0.31 0.03 0.00 0.71 0.00 0.00 56.30 57.01 2uwx h ASN 702 Cb 0.14 -0.22 -0.05 0.00 0.73 0.00 0.00 38.32 38.92 2uwx h ASN 702 CO -0.03 0.94 0.53 0.00 -1.29 0.00 0.00 177.43 177.57 2uwx h ALA 703 N 0.92 1.06 -0.24 1.57 0.00 -0.55 -1.49 119.26 120.54 2uwx h ALA 703 Ca 0.13 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2uwx h ALA 703 Cb 0.52 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2uwx h ALA 703 CO 0.03 0.37 0.11 0.82 0.00 0.00 0.00 179.25 180.58 2uwx h ILE 704 N 1.04 1.14 -0.54 0.00 2.04 -1.22 -2.01 117.51 117.97 2uwx h ILE 704 Ca 0.32 -0.41 0.01 0.00 1.00 0.00 0.00 64.86 65.77 2uwx h ILE 704 Cb -0.03 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 2uwx h ILE 704 CO -0.10 0.14 0.35 -0.61 0.00 0.00 0.00 178.15 177.93 2uwx h GLN 705 N 0.25 0.70 -0.97 2.37 -0.00 -1.14 -1.01 115.11 115.31 2uwx h GLN 705 Ca 0.08 -0.04 0.02 0.00 -0.00 0.00 0.00 58.65 58.71 2uwx h GLN 705 Cb 0.12 -0.16 -0.05 0.00 0.00 0.00 0.00 27.48 27.40 2uwx h GLN 705 CO -0.01 0.46 0.64 1.96 0.00 0.00 0.00 178.83 181.88 2uwx h GLN 706 N 0.72 1.24 -0.06 1.69 4.20 -1.17 -0.99 115.11 120.74 2uwx h GLN 706 Ca 0.20 -0.07 -0.18 0.00 0.06 0.00 0.00 58.65 58.65 2uwx h GLN 706 Cb -0.08 -0.28 -0.01 0.00 0.30 0.00 0.00 27.48 27.42 2uwx h GLN 706 CO -0.05 0.82 -0.75 0.00 -0.67 0.00 0.00 178.83 178.18 2uwx h ALA 707 N 1.41 0.60 -2.13 3.87 0.00 -1.06 -3.40 119.26 118.54 2uwx h ALA 707 Ca 0.37 -0.62 -0.48 0.00 0.00 0.00 0.00 54.91 54.17 2uwx h ALA 707 Cb -0.09 -0.06 -0.34 0.00 0.00 0.00 0.00 17.79 17.30 2uwx h ALA 707 CO -0.09 0.78 -0.82 0.45 0.00 0.00 0.00 179.25 179.57 2uwx s SER 708 N -6.97 1.29 0.37 0.00 0.15 -0.41 -4.77 113.70 103.37 2uwx s SER 708 Ca -0.05 -2.38 0.16 0.00 0.70 0.00 0.00 55.95 54.38 2uwx s SER 708 Cb 0.10 0.11 1.07 0.00 -1.71 0.00 0.00 66.02 65.59 2uwx s SER 708 CO 0.84 -0.20 1.72 -0.65 1.20 0.00 0.00 173.24 176.14 2uwx h PRO 709 N 6.16 0.39 -0.02 5.44 0.11 -1.43 -2.22 132.00 140.44 2uwx h PRO 709 Ca 0.15 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.24 2uwx h PRO 709 Cb 0.98 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.00 2uwx h PRO 709 CO 0.26 0.26 -0.19 0.43 -0.21 0.00 0.00 178.00 178.55 2uwx n SER 710 N -4.80 1.74 -0.22 -2.05 7.64 -1.26 -4.66 113.62 110.01 2uwx n SER 710 Ca 0.29 -1.40 -0.01 0.00 1.01 0.00 0.00 58.87 58.76 2uwx n SER 710 Cb 0.93 0.15 0.21 0.00 -1.01 0.00 0.00 64.21 64.49 2uwx n SER 710 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 2uwx h ILE 711 N 2.43 1.21 0.01 0.44 6.09 -1.74 -2.28 117.51 123.68 2uwx h ILE 711 Ca 0.00 -0.49 -0.21 0.00 -1.37 0.00 0.00 64.86 62.79 2uwx h ILE 711 Cb 0.65 0.19 -0.01 0.00 0.47 0.00 0.00 36.82 38.13 2uwx h ILE 711 CO 0.00 0.23 -0.91 -0.50 -3.07 0.00 0.00 178.15 173.89 2uwx h TRP 712 N 1.02 0.32 0.00 2.19 4.06 -1.83 -3.42 115.95 118.29 2uwx h TRP 712 Ca 0.26 -0.19 0.00 0.00 2.06 0.00 0.00 58.89 61.03 2uwx h TRP 712 Cb -0.01 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 28.11 2uwx h TRP 712 CO 0.01 1.01 0.00 0.41 -3.56 0.00 0.00 178.44 176.31 2uwx n GLY 713 N 0.95 -1.63 0.30 1.49 0.00 -0.86 -4.02 105.19 101.42 2uwx n GLY 713 Ca -0.04 -1.55 0.04 0.00 0.00 0.00 0.00 46.02 44.47 2uwx n GLY 713 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2uwx n ASN 714 N -1.93 2.52 -4.82 1.61 3.02 -1.26 -4.75 115.26 109.64 2uwx n ASN 714 Ca 0.00 -2.24 -0.32 0.00 -0.03 0.00 0.00 54.58 51.99 2uwx n ASN 714 Cb 0.00 -0.18 0.03 0.00 -0.61 0.00 0.00 39.78 39.02 2uwx n ASN 714 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2uwx s GLU 715 N -1.42 3.18 -0.02 3.52 8.01 -1.26 -4.89 118.70 125.81 2uwx s GLU 715 Ca 0.16 1.05 0.01 0.00 0.01 0.00 0.00 54.97 56.20 2uwx s GLU 715 Cb 0.11 -2.02 -0.03 0.00 -4.31 0.00 0.00 34.13 27.87 2uwx s GLU 715 CO 0.06 -0.91 -0.02 1.03 0.01 0.00 0.00 175.26 175.43 2uwx s ARG 716 N -4.58 2.77 0.32 1.61 1.81 -1.26 -4.27 118.95 115.34 2uwx s ARG 716 Ca 0.60 -0.59 -0.29 0.00 -1.72 0.00 0.00 55.73 53.73 2uwx s ARG 716 Cb -0.14 -2.65 -0.10 0.00 -0.45 0.00 0.00 34.95 31.61 2uwx s ARG 716 CO 0.46 0.64 1.34 -0.06 -0.68 0.00 0.00 175.30 177.00 2uwx s PHE 717 N -1.00 3.02 0.01 -0.53 0.08 -1.26 -4.94 117.98 113.35 2uwx s PHE 717 Ca 0.17 1.32 0.00 0.00 0.12 0.00 0.00 56.93 58.55 2uwx s PHE 717 Cb -0.11 -3.73 -0.01 0.00 -0.57 0.00 0.00 43.02 38.60 2uwx s PHE 717 CO 0.07 -2.08 -0.01 0.00 -0.10 0.00 0.00 175.22 173.10 2uwx s ALA 718 N -0.89 0.07 -0.08 5.36 0.00 -1.26 -5.03 121.76 119.93 2uwx s ALA 718 Ca 0.51 -0.25 -0.38 0.00 0.00 0.00 0.00 51.96 51.85 2uwx s ALA 718 Cb -0.40 0.06 -0.15 0.00 0.00 0.00 0.00 23.12 22.62 2uwx s ALA 718 CO 0.51 -0.06 1.59 1.28 0.00 0.00 0.00 175.76 179.09 2uwx n LEU 719 N 2.48 2.28 -4.74 0.00 4.32 -1.26 -4.81 117.00 115.26 2uwx n LEU 719 Ca -0.17 1.08 -0.38 0.00 -0.02 0.00 0.00 56.01 56.52 2uwx n LEU 719 Cb 0.58 -1.21 0.05 0.00 -1.62 0.00 0.00 43.42 41.22 2uwx n LEU 719 CO 0.24 -0.61 0.97 -0.67 -1.22 0.00 0.00 177.39 176.09 2uwx n ASP 720 N 4.25 2.58 0.28 -1.43 2.03 -1.26 -4.90 116.55 118.09 2uwx n ASP 720 Ca 0.22 0.95 0.19 0.00 0.52 0.00 0.00 54.79 56.66 2uwx n ASP 720 Cb 0.18 -1.58 0.90 0.00 -0.72 0.00 0.00 41.12 39.91 2uwx n ASP 720 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2uwx h PRO 721 N 1.24 0.00 0.00 -0.67 0.11 -1.96 -1.50 132.00 129.23 2uwx h PRO 721 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2uwx h PRO 721 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 2uwx h PRO 721 CO 0.56 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.22 2uwx n SER 722 N -2.92 0.19 -4.75 -2.05 3.41 -1.26 -4.77 113.62 101.48 2uwx n SER 722 Ca -0.01 0.55 -0.41 0.00 -0.26 0.00 0.00 58.87 58.74 2uwx n SER 722 Cb 0.17 -0.59 -0.03 0.00 -0.26 0.00 0.00 64.21 63.50 2uwx n SER 722 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2uwx s VAL 723 N -3.11 3.05 -0.24 -3.33 1.01 -0.57 -4.90 120.40 112.32 2uwx s VAL 723 Ca 0.05 0.90 -0.10 0.00 0.00 0.00 0.00 61.98 62.83 2uwx s VAL 723 Cb 0.08 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 32.84 2uwx s VAL 723 CO 0.26 0.15 0.15 -0.69 0.00 0.00 0.00 175.10 174.97 2uwx s VAL 724 N -0.19 5.24 -0.17 2.92 1.01 -0.83 -4.96 120.40 123.43 2uwx s VAL 724 Ca 0.55 0.14 -0.08 0.00 0.00 0.00 0.00 61.98 62.58 2uwx s VAL 724 Cb -0.38 -3.44 -0.05 0.00 0.00 0.00 0.00 36.38 32.52 2uwx s VAL 724 CO 0.42 0.35 0.13 -0.54 0.00 0.00 0.00 175.10 175.45 2uwx s LYS 725 N 1.07 3.86 0.04 2.72 1.02 -1.26 -0.17 119.74 127.01 2uwx s LYS 725 Ca 0.07 -0.20 0.06 0.00 0.02 0.00 0.00 55.97 55.92 2uwx s LYS 725 Cb -0.14 -3.30 -0.02 0.00 -0.52 0.00 0.00 37.83 33.85 2uwx s LYS 725 CO 0.04 0.49 -0.16 -1.12 -0.92 0.00 0.00 175.35 173.68 2uwx s SER 726 N -0.20 1.95 -0.43 2.83 0.01 -0.35 -4.96 113.70 112.55 2uwx s SER 726 Ca 0.10 -0.48 -0.19 0.00 1.31 0.00 0.00 55.95 56.69 2uwx s SER 726 Cb -0.11 -0.14 0.02 0.00 0.21 0.00 0.00 66.02 66.00 2uwx s SER 726 CO 0.01 0.08 0.52 -0.70 0.41 0.00 0.00 173.24 173.55 2uwx s GLU 727 N -1.17 3.16 0.23 12.44 2.56 -1.26 -0.29 118.70 134.38 2uwx s GLU 727 Ca 0.04 -0.62 0.07 0.00 0.00 0.00 0.00 54.97 54.45 2uwx s GLU 727 Cb -0.08 -3.97 -0.05 0.00 2.00 0.00 0.00 34.13 32.03 2uwx s GLU 727 CO 0.01 -0.93 -0.10 0.14 -0.56 0.00 0.00 175.26 173.83 2uwx s VAL 728 N 2.41 1.58 0.21 3.70 -7.23 -0.42 -4.46 120.40 116.18 2uwx s VAL 728 Ca 0.16 -2.15 -0.30 0.00 -1.81 0.00 0.00 61.98 57.88 2uwx s VAL 728 Cb -0.16 -2.19 -0.08 0.00 0.56 0.00 0.00 36.38 34.50 2uwx s VAL 728 CO 0.16 -0.48 1.21 -0.76 -0.31 0.00 0.00 175.10 174.91 2uwx s LEU 729 N -3.34 4.45 0.20 1.32 2.01 0.30 -1.12 118.68 122.49 2uwx s LEU 729 Ca 0.25 2.30 -0.11 0.00 0.01 0.00 0.00 54.13 56.57 2uwx s LEU 729 Cb 0.02 -3.61 0.22 0.00 0.01 0.00 0.00 46.19 42.82 2uwx s LEU 729 CO 0.08 -0.38 1.76 0.11 1.01 0.00 0.00 176.35 178.93 2uwx h LYS 730 N 4.98 0.43 -0.73 1.70 1.57 -1.43 0.40 116.57 123.48 2uwx h LYS 730 Ca -0.45 -0.03 0.08 0.00 -1.87 0.00 0.00 60.65 58.38 2uwx h LYS 730 Cb 1.21 -0.10 -0.06 0.00 0.08 0.00 0.00 32.23 33.36 2uwx h LYS 730 CO 0.73 0.28 0.40 0.66 -0.57 0.00 0.00 179.45 180.96 2uwx h SER 731 N 0.44 0.58 0.00 0.86 4.64 -1.92 -3.30 113.55 114.86 2uwx h SER 731 Ca 0.27 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 2uwx h SER 731 Cb 0.28 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 2uwx h SER 731 CO -0.25 0.35 -1.27 0.35 -0.87 0.00 0.00 176.83 175.14 2uwx n THR 732 N -4.78 0.00 -0.96 2.95 -2.24 -1.12 -4.96 114.28 103.17 2uwx n THR 732 Ca 0.11 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 2uwx n THR 732 Cb 0.22 0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 2uwx n THR 732 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2uwx n GLY 733 N 1.68 0.12 3.47 3.38 0.00 0.14 -4.33 105.19 109.66 2uwx n GLY 733 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 2uwx n GLY 733 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2uwx s GLN 734 N -1.48 1.69 0.65 1.61 -0.21 -1.26 -4.55 119.66 116.11 2uwx s GLN 734 Ca 0.00 -1.74 -0.18 0.00 0.02 0.00 0.00 55.36 53.46 2uwx s GLN 734 Cb 0.00 -1.79 -0.01 0.00 1.00 0.00 0.00 33.01 32.21 2uwx s GLN 734 CO 0.00 0.34 1.27 0.15 -2.12 0.00 0.00 175.29 174.92 2uwx s LYS 735 N -3.45 2.58 0.42 2.91 1.02 -0.59 -0.54 119.74 122.08 2uwx s LYS 735 Ca 0.29 1.98 -0.25 0.00 0.02 0.00 0.00 55.97 58.02 2uwx s LYS 735 Cb -0.05 -1.86 -0.08 0.00 -0.52 0.00 0.00 37.83 35.32 2uwx s LYS 735 CO 0.15 -1.55 1.24 -2.14 -0.92 0.00 0.00 175.35 172.12 2uwx s PRO 736 N -3.43 3.93 0.00 -1.68 0.02 -1.26 -1.54 135.00 131.04 2uwx s PRO 736 Ca 0.81 2.00 0.00 0.00 0.02 0.00 0.00 61.00 63.83 2uwx s PRO 736 Cb -0.35 -2.67 0.00 0.00 0.02 0.00 0.00 34.50 31.50 2uwx s PRO 736 CO 0.39 -0.47 0.00 0.41 -0.33 0.00 0.00 177.00 177.00 2uwx n GLY 737 N 0.64 -0.64 3.61 0.52 0.00 -1.17 -4.82 105.19 103.33 2uwx n GLY 737 Ca 0.05 -0.48 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 2uwx n GLY 737 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2uwx s LYS 738 N -0.02 3.33 -0.02 1.61 3.01 -1.26 0.04 119.74 126.43 2uwx s LYS 738 Ca 0.00 -0.44 0.03 0.00 -1.01 0.00 0.00 55.97 54.54 2uwx s LYS 738 Cb 0.00 -2.88 -0.00 0.00 -1.01 0.00 0.00 37.83 33.94 2uwx s LYS 738 CO 0.00 0.49 -0.10 0.08 0.51 0.00 0.00 175.35 176.33 2uwx s VAL 739 N -0.30 0.83 -0.46 3.17 1.01 -0.28 -4.97 120.40 119.39 2uwx s VAL 739 Ca 0.06 -0.42 -0.29 0.00 0.00 0.00 0.00 61.98 61.33 2uwx s VAL 739 Cb -0.12 -0.72 0.02 0.00 0.00 0.00 0.00 36.38 35.56 2uwx s VAL 739 CO 0.02 0.25 1.24 -0.94 0.00 0.00 0.00 175.10 175.67 2uwx s SER 740 N -0.04 6.51 -0.40 3.32 1.04 -1.26 -0.97 113.70 121.90 2uwx s SER 740 Ca 0.01 0.57 -0.03 0.00 0.48 0.00 0.00 55.95 56.97 2uwx s SER 740 Cb -0.06 -2.55 0.10 0.00 0.10 0.00 0.00 66.02 63.61 2uwx s SER 740 CO 0.00 -1.34 0.18 -0.69 0.98 0.00 0.00 173.24 172.38 2uwx s VAL 741 N 4.84 3.32 -0.97 5.02 1.01 -0.79 -4.77 120.40 128.06 2uwx s VAL 741 Ca 0.52 -1.93 -0.13 0.00 0.00 0.00 0.00 61.98 60.45 2uwx s VAL 741 Cb -0.09 -3.22 0.01 0.00 0.00 0.00 0.00 36.38 33.09 2uwx s VAL 741 CO 0.32 -0.61 0.65 -0.62 0.00 0.00 0.00 175.10 174.84 2uwx n GLU 742 N 4.62 -1.09 0.00 2.72 1.02 -1.26 -3.33 120.64 123.32 2uwx n GLU 742 Ca -0.04 0.56 0.00 0.00 -0.02 0.00 0.00 57.16 57.66 2uwx n GLU 742 Cb 0.42 -2.75 0.00 0.00 -0.02 0.00 0.00 31.44 29.09 2uwx n GLU 742 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2uwx n GLY 743 N -1.80 2.15 3.68 0.62 0.00 -1.26 -4.98 105.19 103.59 2uwx n GLY 743 Ca -0.21 -0.22 -0.47 0.00 0.00 0.00 0.00 46.02 45.11 2uwx n GLY 743 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2uwx n LYS 744 N 0.00 2.29 -2.20 1.61 2.85 -1.21 -4.89 118.16 116.60 2uwx n LYS 744 Ca 0.00 0.84 -0.43 0.00 -1.05 0.00 0.00 58.31 57.67 2uwx n LYS 744 Cb 0.00 -2.68 -0.02 0.00 -0.65 0.00 0.00 35.03 31.67 2uwx n LYS 744 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 2uwx s GLU 745 N 3.42 3.66 -0.13 -1.58 2.56 -1.26 -1.88 118.70 123.49 2uwx s GLU 745 Ca 0.89 1.35 -0.10 0.00 0.00 0.00 0.00 54.97 57.11 2uwx s GLU 745 Cb -0.65 -4.04 -0.05 0.00 2.00 0.00 0.00 34.13 31.40 2uwx s GLU 745 CO 0.47 -1.45 0.21 0.08 -0.56 0.00 0.00 175.26 174.00 2uwx s VAL 746 N 5.47 5.37 -0.35 3.70 1.01 -0.14 -4.94 120.40 130.53 2uwx s VAL 746 Ca 0.68 0.37 -0.24 0.00 0.00 0.00 0.00 61.98 62.79 2uwx s VAL 746 Cb -0.20 -3.51 0.01 0.00 0.00 0.00 0.00 36.38 32.68 2uwx s VAL 746 CO 0.30 0.53 0.82 -0.70 0.00 0.00 0.00 175.10 176.05 2uwx s GLU 747 N -0.42 3.83 -0.27 2.72 2.56 -1.26 -1.13 118.70 124.73 2uwx s GLU 747 Ca 0.15 0.46 -0.15 0.00 0.00 0.00 0.00 54.97 55.43 2uwx s GLU 747 Cb -0.13 -3.79 -0.04 0.00 2.00 0.00 0.00 34.13 32.18 2uwx s GLU 747 CO 0.04 -0.83 0.38 0.08 -0.56 0.00 0.00 175.26 174.37 2uwx s VAL 748 N 3.16 5.17 0.09 3.70 1.01 0.11 -5.01 120.40 128.63 2uwx s VAL 748 Ca 0.33 0.57 0.01 0.00 0.00 0.00 0.00 61.98 62.90 2uwx s VAL 748 Cb -0.13 -3.71 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 2uwx s VAL 748 CO 0.16 0.14 0.05 0.35 0.00 0.00 0.00 175.10 175.80 2uwx n THR 749 N 5.12 0.00 0.00 3.92 -2.24 -1.26 -3.03 114.28 116.80 2uwx n THR 749 Ca -0.08 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 2uwx n THR 749 Cb 0.51 0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 2uwx n THR 749 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2uwx n GLY 750 N 0.82 0.93 3.77 3.38 0.00 -1.26 -4.93 105.19 107.90 2uwx n GLY 750 Ca 0.00 -2.04 -0.41 0.00 0.00 0.00 0.00 46.02 43.57 2uwx n GLY 750 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2uwx s SER 751 N -1.12 6.52 0.43 1.61 1.04 -1.26 -4.90 113.70 116.01 2uwx s SER 751 Ca 0.00 2.89 0.08 0.00 0.48 0.00 0.00 55.95 59.39 2uwx s SER 751 Cb 0.00 -2.66 -0.02 0.00 0.10 0.00 0.00 66.02 63.44 2uwx s SER 751 CO 0.00 -0.74 0.36 0.42 0.98 0.00 0.00 173.24 174.27 2uwx s THR 752 N -1.13 2.54 0.01 2.02 -4.23 -1.26 -1.16 115.64 112.43 2uwx s THR 752 Ca 0.51 -1.39 -0.21 0.00 -1.18 0.00 0.00 61.69 59.42 2uwx s THR 752 Cb -0.43 -2.94 0.04 0.00 1.34 0.00 0.00 72.50 70.52 2uwx s THR 752 CO 0.58 0.00 0.47 0.54 -0.54 0.00 0.00 174.62 175.68 2uwx s VAL 753 N -2.51 0.04 -0.16 2.29 0.11 -0.28 -4.76 120.40 115.13 2uwx s VAL 753 Ca 0.47 -0.31 -0.29 0.00 -2.93 0.00 0.00 61.98 58.92 2uwx s VAL 753 Cb -0.02 -0.89 -0.00 0.00 -1.53 0.00 0.00 36.38 33.94 2uwx s VAL 753 CO 0.27 -0.17 1.02 -0.89 -3.33 0.00 0.00 175.10 172.00 2uwx s THR 754 N -1.92 4.74 -0.13 5.04 2.01 -1.26 -1.31 115.64 122.82 2uwx s THR 754 Ca -0.08 2.04 -0.01 0.00 0.31 0.00 0.00 61.69 63.94 2uwx s THR 754 Cb -0.02 -4.31 -0.02 0.00 0.01 0.00 0.00 72.50 68.16 2uwx s THR 754 CO 0.02 -0.07 -0.10 -0.55 -0.69 0.00 0.00 174.62 173.23 2uwx s SER 755 N 1.14 4.28 -0.05 3.53 0.15 0.61 -4.80 113.70 118.56 2uwx s SER 755 Ca 0.46 -0.24 -0.15 0.00 0.70 0.00 0.00 55.95 56.72 2uwx s SER 755 Cb -0.17 -1.58 -0.05 0.00 -1.71 0.00 0.00 66.02 62.51 2uwx s SER 755 CO 0.13 0.19 0.40 -0.31 1.20 0.00 0.00 173.24 174.85 2uwx s TYR 756 N 0.20 3.65 0.13 3.44 2.02 -1.26 -1.21 117.35 124.33 2uwx s TYR 756 Ca -0.06 0.91 0.06 0.00 -0.37 0.00 0.00 57.07 57.62 2uwx s TYR 756 Cb -0.15 -2.34 -0.04 0.00 -0.40 0.00 0.00 41.96 39.03 2uwx s TYR 756 CO 0.04 0.50 -0.15 -1.58 -1.57 0.00 0.00 175.55 172.79 2uwx s TRP 757 N -0.53 1.49 -0.19 2.71 0.52 0.76 -0.46 118.94 123.25 2uwx s TRP 757 Ca 0.23 -0.54 0.15 0.00 0.02 0.00 0.00 56.10 55.96 2uwx s TRP 757 Cb -0.16 -0.77 0.44 0.00 -1.15 0.00 0.00 33.47 31.83 2uwx s TRP 757 CO 0.11 0.19 1.33 0.00 0.02 0.00 0.00 176.95 178.60 2uwx n ALA 758 N 0.45 3.10 -3.36 0.98 0.00 -1.26 -1.97 120.51 118.45 2uwx n ALA 758 Ca -0.15 -2.67 0.00 0.00 0.00 0.00 0.00 53.44 50.62 2uwx n ALA 758 Cb 0.57 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.44 2uwx n ALA 758 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2uwx n ASN 759 N -0.98 1.12 0.08 0.00 0.23 -1.26 -4.78 115.26 109.67 2uwx n ASN 759 Ca 0.22 -0.81 -0.22 0.00 -0.53 0.00 0.00 54.58 53.25 2uwx n ASN 759 Cb 0.83 0.00 -0.15 0.00 -2.08 0.00 0.00 39.78 38.38 2uwx n ASN 759 CO 0.00 0.00 0.00 0.07 -0.93 0.00 0.00 177.26 176.40 2uwx h LYS 760 N 0.00 0.39 -0.01 -3.83 5.09 -1.95 -3.42 116.57 112.84 2uwx h LYS 760 Ca 0.00 -0.66 0.00 0.00 0.09 0.00 0.00 60.65 60.08 2uwx h LYS 760 Cb 0.00 0.24 0.00 0.00 0.10 0.00 0.00 32.23 32.57 2uwx h LYS 760 CO 0.00 1.31 -0.67 -1.13 -2.09 0.00 0.00 179.45 176.87 2uwx n SER 761 N -3.99 1.27 0.00 7.07 3.41 -1.26 -4.99 113.62 115.14 2uwx n SER 761 Ca -0.15 -1.14 0.00 0.00 -0.26 0.00 0.00 58.87 57.32 2uwx n SER 761 Cb 0.92 0.78 0.00 0.00 -0.26 0.00 0.00 64.21 65.65 2uwx n SER 761 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2uwx n GLY 762 N 1.37 -1.06 3.75 5.00 0.00 -1.26 -4.88 105.19 108.11 2uwx n GLY 762 Ca 0.05 -1.23 -0.39 0.00 0.00 0.00 0.00 46.02 44.45 2uwx n GLY 762 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2uwx n ALA 763 N 2.90 1.82 -1.57 4.61 0.00 -1.26 -5.00 120.51 122.02 2uwx n ALA 763 Ca 0.00 0.19 -0.30 0.00 0.00 0.00 0.00 53.44 53.33 2uwx n ALA 763 Cb 0.00 -2.38 0.18 0.00 0.00 0.00 0.00 19.45 17.26 2uwx n ALA 763 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2uwx s PRO 764 N -2.67 0.34 0.49 0.00 0.04 -1.26 -4.81 135.00 127.13 2uwx s PRO 764 Ca 0.66 -0.07 -0.19 0.00 0.04 0.00 0.00 61.00 61.44 2uwx s PRO 764 Cb -0.43 -1.78 -0.09 0.00 0.04 0.00 0.00 34.50 32.24 2uwx s PRO 764 CO 0.53 -2.67 1.00 0.00 0.04 0.00 0.00 177.00 175.90 2uwx s ALA 765 N -3.44 2.96 -0.12 8.56 0.00 -1.26 -1.55 121.76 126.91 2uwx s ALA 765 Ca 0.69 0.40 -0.37 0.00 0.00 0.00 0.00 51.96 52.69 2uwx s ALA 765 Cb -0.09 -3.18 -0.14 0.00 0.00 0.00 0.00 23.12 19.70 2uwx s ALA 765 CO 0.54 -0.19 1.71 2.41 0.00 0.00 0.00 175.76 180.23 2uwx n THR 766 N -1.12 0.32 -3.12 0.00 -1.04 -0.59 -4.70 114.28 104.03 2uwx n THR 766 Ca 0.08 -0.06 -0.19 0.00 -2.04 0.00 0.00 64.05 61.84 2uwx n THR 766 Cb 0.53 -1.41 0.03 0.00 -1.82 0.00 0.00 70.33 67.67 2uwx n THR 766 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2uwx s SER 767 N 3.02 5.31 0.06 8.00 1.04 -1.26 -4.80 113.70 125.07 2uwx s SER 767 Ca 0.93 -0.68 -0.28 0.00 0.48 0.00 0.00 55.95 56.40 2uwx s SER 767 Cb -0.89 -0.19 -0.17 0.00 0.10 0.00 0.00 66.02 64.86 2uwx s SER 767 CO 0.56 -1.01 1.55 0.22 0.98 0.00 0.00 173.24 175.53 2uwx h TYR 768 N 0.49 -0.51 -0.43 5.02 5.03 -1.94 -3.17 116.97 121.46 2uwx h TYR 768 Ca -0.36 -0.01 -0.68 0.00 2.58 0.00 0.00 58.73 60.26 2uwx h TYR 768 Cb 1.28 0.17 -0.06 0.00 1.55 0.00 0.00 36.73 39.68 2uwx h TYR 768 CO 0.46 -0.27 2.59 0.54 -1.32 0.00 0.00 178.16 180.16 2uwx n ARG 769 N -5.29 2.92 0.16 1.82 5.12 -1.26 -4.79 116.66 115.34 2uwx n ARG 769 Ca -0.11 -2.89 0.04 0.00 -1.93 0.00 0.00 57.85 52.96 2uwx n ARG 769 Cb 0.26 -3.39 0.13 0.00 -1.16 0.00 0.00 32.46 28.30 2uwx n ARG 769 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 2uwx h PHE 770 N 6.95 0.00 -3.05 -1.55 -0.00 -1.90 -3.47 116.94 113.93 2uwx h PHE 770 Ca 0.49 0.00 -0.46 0.00 -0.00 0.00 0.00 57.97 58.01 2uwx h PHE 770 Cb 0.76 0.00 0.05 0.00 -0.00 0.00 0.00 35.95 36.76 2uwx h PHE 770 CO 1.43 0.46 0.04 0.00 -0.00 0.00 0.00 178.31 180.23 2uwx s ALA 771 N -3.16 3.60 -0.26 12.09 0.00 -1.26 -4.70 121.76 128.07 2uwx s ALA 771 Ca 0.03 -1.04 -0.25 0.00 0.00 0.00 0.00 51.96 50.70 2uwx s ALA 771 Cb 0.09 -2.30 -0.00 0.00 0.00 0.00 0.00 23.12 20.90 2uwx s ALA 771 CO 0.72 -0.75 0.84 0.42 0.00 0.00 0.00 175.76 176.99 2uwx s ILE 772 N -2.84 4.80 0.04 0.00 -1.09 0.02 -4.92 121.20 117.23 2uwx s ILE 772 Ca 0.54 1.52 0.00 0.00 -2.23 0.00 0.00 60.65 60.48 2uwx s ILE 772 Cb -0.10 -4.15 0.00 0.00 -1.58 0.00 0.00 42.46 36.63 2uwx s ILE 772 CO 0.41 -0.14 0.00 0.61 -1.23 0.00 0.00 174.94 174.59 2uwx n GLY 773 N 3.83 -1.84 0.00 6.18 0.00 -1.26 -0.67 105.19 111.43 2uwx n GLY 773 Ca 0.06 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.76 2uwx n GLY 773 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2uwx n GLY 774 N -0.74 2.84 3.94 -0.02 0.00 -1.26 -4.53 105.19 105.41 2uwx n GLY 774 Ca 0.00 -1.57 -0.24 0.00 0.00 0.00 0.00 46.02 44.21 2uwx n GLY 774 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2uwx s SER 775 N 0.00 5.68 0.30 1.61 1.04 -1.26 -4.95 113.70 116.12 2uwx s SER 775 Ca 0.00 0.45 0.06 0.00 0.48 0.00 0.00 55.95 56.94 2uwx s SER 775 Cb 0.00 -1.56 0.79 0.00 0.10 0.00 0.00 66.02 65.35 2uwx s SER 775 CO 0.00 -0.90 1.70 0.44 0.98 0.00 0.00 173.24 175.47 2uwx h ASP 776 N 0.12 0.43 -0.65 7.02 3.32 -1.99 0.02 116.42 124.69 2uwx h ASP 776 Ca -0.46 0.15 -0.08 0.00 0.02 0.00 0.00 57.03 56.66 2uwx h ASP 776 Cb 1.26 0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.89 2uwx h ASP 776 CO 0.58 0.02 0.09 0.00 -1.72 0.00 0.00 179.24 178.22 2uwx h ALA 777 N 1.72 0.91 -0.10 3.45 0.00 -1.99 -2.02 119.26 121.23 2uwx h ALA 777 Ca 0.59 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2uwx h ALA 777 Cb 1.13 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 2uwx h ALA 777 CO -0.52 0.67 0.06 -0.44 0.00 0.00 0.00 179.25 179.02 2uwx h ASP 778 N 1.02 0.11 -0.01 0.00 3.32 -1.41 -2.14 116.42 117.32 2uwx h ASP 778 Ca 0.20 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 57.13 2uwx h ASP 778 Cb 0.46 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 2uwx h ASP 778 CO 0.02 0.10 -0.28 1.88 -1.72 0.00 0.00 179.24 179.23 2uwx h TYR 779 N 0.12 0.51 -0.13 4.55 0.05 -1.20 -0.92 116.97 119.95 2uwx h TYR 779 Ca 0.04 -0.11 0.02 0.00 0.05 0.00 0.00 58.73 58.72 2uwx h TYR 779 Cb -0.00 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 37.60 2uwx h TYR 779 CO -0.07 0.69 0.00 0.37 -1.05 0.00 0.00 178.16 178.11 2uwx h GLN 780 N 0.40 0.05 -0.31 4.88 4.15 -1.29 0.84 115.11 123.82 2uwx h GLN 780 Ca 0.05 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.47 2uwx h GLN 780 Cb 0.70 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.36 2uwx h GLN 780 CO 0.05 0.03 0.20 -0.97 -1.93 0.00 0.00 178.83 176.22 2uwx h ASN 781 N 0.05 0.35 -0.44 -0.69 -0.73 -1.01 -1.99 115.58 111.13 2uwx h ASN 781 Ca 0.06 -0.01 -0.13 0.00 1.87 0.00 0.00 56.30 58.09 2uwx h ASN 781 Cb 0.07 -0.09 -0.01 0.00 0.27 0.00 0.00 38.32 38.56 2uwx h ASN 781 CO -0.10 0.26 -0.24 0.00 -0.37 0.00 0.00 177.43 176.98 2uwx h ALA 782 N 1.11 0.62 -0.09 1.57 0.00 -1.03 -2.73 119.26 118.71 2uwx h ALA 782 Ca 0.11 -0.40 -0.14 0.00 0.00 0.00 0.00 54.91 54.49 2uwx h ALA 782 Cb -0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2uwx h ALA 782 CO -0.02 0.62 -0.55 -1.49 0.00 0.00 0.00 179.25 177.81 2uwx h TRP 783 N 0.77 0.34 -0.91 0.00 4.06 -0.86 -2.55 115.95 116.81 2uwx h TRP 783 Ca 0.09 -0.12 0.11 0.00 2.06 0.00 0.00 58.89 61.04 2uwx h TRP 783 Cb 0.82 -0.06 -0.08 0.00 -1.00 0.00 0.00 29.16 28.83 2uwx h TRP 783 CO 0.06 0.76 0.54 1.03 -3.56 0.00 0.00 178.44 177.26 2uwx h SER 784 N 0.21 0.77 -0.52 -3.49 0.87 -1.10 -2.22 113.55 108.06 2uwx h SER 784 Ca 0.00 0.05 -0.12 0.00 -1.23 0.00 0.00 61.79 60.49 2uwx h SER 784 Cb 1.03 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.88 2uwx h SER 784 CO 0.09 0.41 -0.16 0.28 -0.53 0.00 0.00 176.83 176.91 2uwx h SER 785 N 0.86 1.04 -0.07 6.23 0.02 -1.18 -2.70 113.55 117.75 2uwx h SER 785 Ca 0.45 -0.37 -0.14 0.00 -0.84 0.00 0.00 61.79 60.89 2uwx h SER 785 Cb 0.46 -0.29 0.01 0.00 0.14 0.00 0.00 62.40 62.72 2uwx h SER 785 CO -0.27 1.18 -0.49 0.40 -1.14 0.00 0.00 176.83 176.51 2uwx h ILE 786 N 0.90 1.39 -0.26 3.27 2.04 -1.08 -3.19 117.51 120.57 2uwx h ILE 786 Ca 0.13 -1.87 -0.02 0.00 1.00 0.00 0.00 64.86 64.10 2uwx h ILE 786 Cb 0.74 2.32 -0.01 0.00 -0.74 0.00 0.00 36.82 39.13 2uwx h ILE 786 CO 0.06 0.55 0.08 -0.37 0.00 0.00 0.00 178.15 178.47 2uwx h VAL 787 N 0.01 1.20 0.00 1.67 -1.51 -1.53 -2.69 116.25 113.40 2uwx h VAL 787 Ca -0.04 -0.64 0.00 0.00 -1.23 0.00 0.00 66.70 64.79 2uwx h VAL 787 Cb 1.15 1.13 0.00 0.00 -2.13 0.00 0.00 31.29 31.44 2uwx h VAL 787 CO 0.10 0.21 0.81 1.23 -1.23 0.00 0.00 177.57 178.69 2uwx h GLY 788 N 0.26 0.00 -0.05 5.19 0.00 -1.48 -0.69 103.07 106.30 2uwx h GLY 788 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 2uwx h GLY 788 CO -0.00 0.00 -0.02 -1.14 0.00 0.00 0.00 176.54 175.37 2uwx n SER 789 N -2.60 1.85 0.00 0.19 3.41 -1.03 -5.09 113.62 110.35 2uwx n SER 789 Ca -0.01 -2.28 0.12 0.00 -0.26 0.00 0.00 58.87 56.45 2uwx n SER 789 Cb 0.82 -0.15 0.74 0.00 -0.26 0.00 0.00 64.21 65.36 2uwx n SER 789 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06