#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rrk s MET 244 N 0.00 0.31 -0.11 -1.46 0.00 -1.26 -1.19 119.30 115.58 1rrk s MET 244 Ca 0.00 0.01 0.01 0.00 0.00 0.00 0.00 55.69 55.71 1rrk s MET 244 Cb 0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 34.83 34.40 1rrk s MET 244 CO 0.00 -0.06 -0.16 -0.80 0.00 0.00 0.00 175.02 173.99 1rrk s ASN 245 N 0.65 3.77 -0.18 1.11 -0.87 -0.40 -0.53 114.94 118.49 1rrk s ASN 245 Ca -0.07 -0.37 0.01 0.00 -1.57 0.00 0.00 52.86 50.86 1rrk s ASN 245 Cb -0.10 -1.46 0.02 0.00 -0.02 0.00 0.00 41.25 39.69 1rrk s ASN 245 CO -0.01 0.18 -0.19 -0.63 -2.57 0.00 0.00 177.10 173.88 1rrk s ILE 246 N 0.22 2.11 -0.36 0.60 1.01 -0.18 -0.62 121.20 123.98 1rrk s ILE 246 Ca -0.10 -0.93 -0.11 0.00 0.00 0.00 0.00 60.65 59.51 1rrk s ILE 246 Cb -0.16 -1.89 0.02 0.00 0.01 0.00 0.00 42.46 40.44 1rrk s ILE 246 CO 0.06 0.53 0.19 -0.31 0.00 0.00 0.00 174.94 175.41 1rrk s TYR 247 N 1.29 3.23 -0.36 3.97 1.51 0.64 -1.21 117.35 126.43 1rrk s TYR 247 Ca 0.05 -0.91 -0.19 0.00 -1.01 0.00 0.00 57.07 55.01 1rrk s TYR 247 Cb -0.13 -2.42 0.00 0.00 -0.11 0.00 0.00 41.96 39.30 1rrk s TYR 247 CO -0.13 -0.62 0.55 -0.51 -1.11 0.00 0.00 175.55 173.74 1rrk s LEU 248 N 1.56 4.37 -0.23 -1.29 1.43 0.16 -0.85 118.68 123.82 1rrk s LEU 248 Ca 0.02 -0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.09 1rrk s LEU 248 Cb -0.19 -2.63 0.04 0.00 0.03 0.00 0.00 46.19 43.44 1rrk s LEU 248 CO 0.06 -0.54 -0.13 -0.69 0.23 0.00 0.00 176.35 175.29 1rrk s VAL 249 N 2.49 2.29 -0.18 -1.59 1.01 -0.46 -0.77 120.40 123.18 1rrk s VAL 249 Ca 0.20 -1.30 -0.02 0.00 0.00 0.00 0.00 61.98 60.87 1rrk s VAL 249 Cb -0.15 -2.19 -0.00 0.00 0.00 0.00 0.00 36.38 34.03 1rrk s VAL 249 CO 0.14 0.19 -0.11 -0.22 0.00 0.00 0.00 175.10 175.11 1rrk s LEU 250 N 1.21 2.67 -0.11 3.92 2.96 0.69 -1.02 118.68 129.00 1rrk s LEU 250 Ca -0.03 -0.43 -0.29 0.00 -0.22 0.00 0.00 54.13 53.16 1rrk s LEU 250 Cb -0.17 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 44.85 1rrk s LEU 250 CO -0.07 0.04 1.41 -0.62 -1.32 0.00 0.00 176.35 175.79 1rrk s ASP 251 N 1.08 6.84 -0.21 3.68 3.68 -0.49 -1.18 116.67 130.07 1rrk s ASP 251 Ca 0.00 1.92 0.14 0.00 2.13 0.00 0.00 52.55 56.74 1rrk s ASP 251 Cb -0.15 -2.54 0.43 0.00 -1.45 0.00 0.00 42.92 39.22 1rrk s ASP 251 CO -0.02 -0.81 1.31 0.61 0.13 0.00 0.00 175.17 176.38 1rrk n GLY 252 N 3.79 4.79 3.77 2.66 0.00 0.93 -4.86 105.19 116.27 1rrk n GLY 252 Ca 0.15 -1.19 -0.29 0.00 0.00 0.00 0.00 46.02 44.69 1rrk n GLY 252 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rrk s SER 253 N -2.68 3.04 0.39 1.61 1.04 -1.22 -4.84 113.70 111.03 1rrk s SER 253 Ca 0.39 0.83 0.10 0.00 0.48 0.00 0.00 55.95 57.75 1rrk s SER 253 Cb 0.35 -1.29 0.88 0.00 0.10 0.00 0.00 66.02 66.05 1rrk s SER 253 CO 0.01 -2.83 1.93 0.44 0.98 0.00 0.00 173.24 173.77 1rrk h ASP 254 N -1.69 0.56 0.84 7.02 3.45 -1.41 -2.44 116.42 122.75 1rrk h ASP 254 Ca -0.49 0.02 0.00 0.00 0.43 0.00 0.00 57.03 56.99 1rrk h ASP 254 Cb 1.31 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 39.99 1rrk h ASP 254 CO 0.55 0.32 0.00 -1.54 -1.57 0.00 0.00 179.24 177.00 1rrk n SER 255 N -4.50 0.40 -0.04 6.45 3.41 -1.26 -3.48 113.62 114.60 1rrk n SER 255 Ca 0.13 0.58 -0.17 0.00 -0.26 0.00 0.00 58.87 59.15 1rrk n SER 255 Cb 0.38 -0.67 -0.13 0.00 -0.26 0.00 0.00 64.21 63.53 1rrk n SER 255 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1rrk h ILE 256 N 0.00 1.57 0.00 -1.33 1.08 -1.78 -3.50 117.51 113.55 1rrk h ILE 256 Ca 0.00 -2.37 0.00 0.00 -0.39 0.00 0.00 64.86 62.10 1rrk h ILE 256 Cb 0.42 3.16 0.00 0.00 -3.07 0.00 0.00 36.82 37.33 1rrk h ILE 256 CO 0.00 0.60 0.00 0.61 -0.69 0.00 0.00 178.15 178.67 1rrk n GLY 257 N 1.61 -1.25 0.19 5.37 0.00 -1.23 -4.34 105.19 105.54 1rrk n GLY 257 Ca -0.15 -1.45 -0.11 0.00 0.00 0.00 0.00 46.02 44.32 1rrk n GLY 257 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rrk h ALA 258 N 0.00 -0.15 -0.01 4.61 0.00 -1.93 -1.58 119.26 120.20 1rrk h ALA 258 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1rrk h ALA 258 Cb 0.00 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1rrk h ALA 258 CO 0.00 -0.63 -0.02 0.66 0.00 0.00 0.00 179.25 179.26 1rrk h SER 259 N -0.23 -0.05 0.56 0.00 4.64 -2.00 -1.55 113.55 114.93 1rrk h SER 259 Ca 0.06 0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.34 1rrk h SER 259 Cb 0.30 0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 1rrk h SER 259 CO -0.16 -0.03 -0.21 0.78 -0.87 0.00 0.00 176.83 176.35 1rrk h ASN 260 N -0.03 0.00 -0.23 4.97 -0.26 -1.74 0.58 115.58 118.87 1rrk h ASN 260 Ca 0.01 0.00 -0.07 0.00 -0.56 0.00 0.00 56.30 55.68 1rrk h ASN 260 Cb 0.04 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.30 1rrk h ASN 260 CO -0.03 0.21 -0.12 0.15 -1.06 0.00 0.00 177.43 176.58 1rrk h PHE 261 N 0.00 0.57 -0.55 1.19 3.04 -0.90 0.18 116.94 120.47 1rrk h PHE 261 Ca -0.00 -0.14 -0.06 0.00 3.98 0.00 0.00 57.97 61.75 1rrk h PHE 261 Cb 0.55 -0.13 -0.02 0.00 2.56 0.00 0.00 35.95 38.91 1rrk h PHE 261 CO 0.00 0.77 0.12 1.15 -2.02 0.00 0.00 178.31 178.33 1rrk h THR 262 N 0.20 1.25 -0.99 4.41 2.02 -0.78 -1.73 112.91 117.29 1rrk h THR 262 Ca 0.05 -0.91 0.01 0.00 0.77 0.00 0.00 66.41 66.33 1rrk h THR 262 Cb 0.63 0.78 -0.05 0.00 -1.74 0.00 0.00 68.15 67.77 1rrk h THR 262 CO 0.04 0.33 0.65 1.23 0.37 0.00 0.00 175.52 178.14 1rrk h GLY 263 N 0.79 1.40 1.06 2.16 0.00 -0.77 -2.12 103.07 105.59 1rrk h GLY 263 Ca 0.17 -0.53 -0.07 0.00 0.00 0.00 0.00 47.33 46.90 1rrk h GLY 263 CO 0.01 0.52 0.16 0.00 0.00 0.00 0.00 176.54 177.22 1rrk h ALA 264 N 1.37 0.90 -0.68 3.60 0.00 -0.54 -2.54 119.26 121.38 1rrk h ALA 264 Ca 0.36 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1rrk h ALA 264 Cb -0.14 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.35 1rrk h ALA 264 CO -0.08 0.63 0.34 0.87 0.00 0.00 0.00 179.25 181.01 1rrk h LYS 265 N 1.03 0.95 -0.51 0.00 1.57 -0.83 -2.47 116.57 116.31 1rrk h LYS 265 Ca 0.21 -0.12 0.06 0.00 -1.87 0.00 0.00 60.65 58.93 1rrk h LYS 265 Cb 0.38 -0.18 -0.05 0.00 0.08 0.00 0.00 32.23 32.46 1rrk h LYS 265 CO 0.00 0.72 0.22 0.87 -0.57 0.00 0.00 179.45 180.70 1rrk h LYS 266 N 0.95 0.42 -0.82 3.15 1.79 -0.98 0.31 116.57 121.39 1rrk h LYS 266 Ca 0.24 -0.03 0.02 0.00 -2.18 0.00 0.00 60.65 58.70 1rrk h LYS 266 Cb 0.08 -0.10 -0.05 0.00 -1.58 0.00 0.00 32.23 30.58 1rrk h LYS 266 CO -0.03 0.28 0.53 0.28 -1.08 0.00 0.00 179.45 179.43 1rrk h VAL 267 N 0.43 1.16 -0.37 0.50 2.07 -1.22 -0.49 116.25 118.32 1rrk h VAL 267 Ca 0.23 -0.36 -0.08 0.00 0.82 0.00 0.00 66.70 67.31 1rrk h VAL 267 Cb 0.20 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 1rrk h VAL 267 CO -0.20 0.19 -0.08 -0.07 0.02 0.00 0.00 177.57 177.43 1rrk h LEU 268 N 1.05 0.72 -0.31 2.57 3.38 -0.88 -1.36 115.31 120.49 1rrk h LEU 268 Ca 0.32 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 57.95 1rrk h LEU 268 Cb -0.04 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1rrk h LEU 268 CO -0.10 0.91 0.15 0.58 0.09 0.00 0.00 178.44 180.08 1rrk h VAL 269 N 0.52 0.99 -0.55 1.22 2.07 0.07 -1.17 116.25 119.40 1rrk h VAL 269 Ca 0.10 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.46 1rrk h VAL 269 Cb 0.59 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1rrk h VAL 269 CO 0.04 0.06 0.16 0.78 0.02 0.00 0.00 177.57 178.63 1rrk h ASN 270 N 0.32 0.76 -0.21 0.57 -0.26 -1.03 -2.11 115.58 113.63 1rrk h ASN 270 Ca 0.13 -0.12 -0.03 0.00 -0.56 0.00 0.00 56.30 55.72 1rrk h ASN 270 Cb 0.04 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.09 1rrk h ASN 270 CO -0.08 0.73 0.01 0.25 -1.06 0.00 0.00 177.43 177.28 1rrk h LEU 271 N 0.80 0.34 -0.89 1.61 5.85 -0.77 -1.07 115.31 121.19 1rrk h LEU 271 Ca 0.18 -0.29 0.05 0.00 0.84 0.00 0.00 57.88 58.67 1rrk h LEU 271 Cb 0.25 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.13 1rrk h LEU 271 CO -0.01 0.55 0.56 0.40 -0.34 0.00 0.00 178.44 179.60 1rrk h ILE 272 N 0.13 1.09 -0.36 4.05 2.04 -1.01 -0.85 117.51 122.59 1rrk h ILE 272 Ca 0.06 -0.36 -0.04 0.00 1.00 0.00 0.00 64.86 65.52 1rrk h ILE 272 Cb 0.36 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 1rrk h ILE 272 CO 0.01 0.19 0.06 -0.08 0.00 0.00 0.00 178.15 178.33 1rrk h GLU 273 N 1.05 0.60 -0.55 2.37 4.57 -1.21 -1.33 114.58 120.08 1rrk h GLU 273 Ca 0.37 -0.16 -0.10 0.00 -1.18 0.00 0.00 59.36 58.30 1rrk h GLU 273 Cb 0.11 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 1rrk h GLU 273 CO -0.15 0.66 -0.04 -0.22 -1.18 0.00 0.00 179.01 178.08 1rrk h LYS 274 N 0.44 0.99 -0.42 1.92 3.64 -0.72 -0.70 116.57 121.72 1rrk h LYS 274 Ca 0.11 -0.34 -0.00 0.00 -1.27 0.00 0.00 60.65 59.15 1rrk h LYS 274 Cb 0.35 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1rrk h LYS 274 CO 0.01 1.02 0.26 0.28 -2.27 0.00 0.00 179.45 178.74 1rrk h VAL 275 N 0.87 1.13 -0.85 2.00 2.07 -1.11 -2.55 116.25 117.82 1rrk h VAL 275 Ca 0.15 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 1rrk h VAL 275 Cb 0.59 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 1rrk h VAL 275 CO 0.04 0.13 0.48 0.00 0.02 0.00 0.00 177.57 178.24 1rrk h ALA 276 N 1.12 1.08 -0.00 1.67 0.00 -1.02 -1.92 119.26 120.20 1rrk h ALA 276 Ca 0.15 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1rrk h ALA 276 Cb -0.02 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 1rrk h ALA 276 CO -0.03 0.58 0.01 0.66 0.00 0.00 0.00 179.25 180.46 1rrk h SER 277 N 1.18 0.00 -0.08 0.00 4.64 -0.71 0.12 113.55 118.69 1rrk h SER 277 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1rrk h SER 277 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1rrk h SER 277 CO -0.05 0.00 0.00 -1.22 -0.87 0.00 0.00 176.83 174.69 1rrk n TYR 278 N -3.29 0.10 -1.02 4.77 4.02 -0.73 -4.89 117.16 116.12 1rrk n TYR 278 Ca -0.03 -0.05 -0.01 0.00 -0.01 0.00 0.00 57.90 57.80 1rrk n TYR 278 Cb 0.08 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.40 1rrk n TYR 278 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1rrk n GLY 279 N 1.07 0.47 3.79 2.72 0.00 0.41 -4.76 105.19 108.90 1rrk n GLY 279 Ca 0.17 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 1rrk n GLY 279 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rrk s VAL 280 N -1.94 5.04 -0.65 1.61 1.01 -1.19 -5.05 120.40 119.23 1rrk s VAL 280 Ca 0.00 0.93 0.05 0.00 0.00 0.00 0.00 61.98 62.96 1rrk s VAL 280 Cb 0.00 -3.77 0.18 0.00 0.00 0.00 0.00 36.38 32.79 1rrk s VAL 280 CO 0.00 0.49 0.51 0.29 0.00 0.00 0.00 175.10 176.39 1rrk n LYS 281 N 2.44 1.69 -2.00 2.72 5.02 -1.26 -4.20 118.16 122.57 1rrk n LYS 281 Ca -0.11 -4.31 -0.28 0.00 -2.02 0.00 0.00 58.31 51.59 1rrk n LYS 281 Cb 0.52 -2.17 0.07 0.00 -0.02 0.00 0.00 35.03 33.43 1rrk n LYS 281 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1rrk s PRO 282 N -1.41 2.23 -0.13 1.97 0.04 -1.26 -4.80 135.00 131.64 1rrk s PRO 282 Ca 0.28 0.08 -0.16 0.00 0.04 0.00 0.00 61.00 61.24 1rrk s PRO 282 Cb 0.00 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 1rrk s PRO 282 CO -0.15 -1.36 0.39 1.03 0.04 0.00 0.00 177.00 176.95 1rrk s ARG 283 N -5.42 4.26 0.06 4.56 0.52 0.31 -4.24 118.95 118.99 1rrk s ARG 283 Ca 0.60 0.28 0.01 0.00 -0.52 0.00 0.00 55.73 56.10 1rrk s ARG 283 Cb -0.11 -3.41 -0.04 0.00 0.52 0.00 0.00 34.95 31.91 1rrk s ARG 283 CO 0.48 0.24 0.15 0.71 0.02 0.00 0.00 175.30 176.90 1rrk s TYR 284 N 0.41 3.39 -0.03 -0.53 2.02 0.09 -1.02 117.35 121.68 1rrk s TYR 284 Ca 0.21 0.19 0.06 0.00 -0.37 0.00 0.00 57.07 57.16 1rrk s TYR 284 Cb -0.14 -1.71 -0.01 0.00 -0.40 0.00 0.00 41.96 39.69 1rrk s TYR 284 CO 0.07 0.57 -0.20 0.20 -1.57 0.00 0.00 175.55 174.62 1rrk s GLY 285 N -2.38 1.04 -0.08 0.71 0.00 -0.35 -3.18 107.32 103.08 1rrk s GLY 285 Ca 0.32 -0.86 -0.02 0.00 0.00 0.00 0.00 44.72 44.16 1rrk s GLY 285 CO 0.24 -0.61 0.01 -2.27 0.00 0.00 0.00 173.10 170.48 1rrk s LEU 286 N -0.27 0.59 -0.02 0.66 2.96 0.08 -0.67 118.68 122.02 1rrk s LEU 286 Ca 0.02 -0.13 0.02 0.00 -0.22 0.00 0.00 54.13 53.82 1rrk s LEU 286 Cb -0.10 -0.43 0.00 0.00 0.50 0.00 0.00 46.19 46.17 1rrk s LEU 286 CO 0.01 -0.21 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.07 1rrk s VAL 287 N 1.98 0.58 0.22 1.68 1.01 0.05 0.09 120.40 126.02 1rrk s VAL 287 Ca 0.05 -0.26 0.09 0.00 0.00 0.00 0.00 61.98 61.85 1rrk s VAL 287 Cb -0.13 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 1rrk s VAL 287 CO -0.05 0.19 -0.07 0.42 0.00 0.00 0.00 175.10 175.59 1rrk s THR 288 N 0.16 3.24 0.13 3.92 -4.23 -0.54 -0.22 115.64 118.09 1rrk s THR 288 Ca -0.02 -1.80 -0.23 0.00 -1.18 0.00 0.00 61.69 58.47 1rrk s THR 288 Cb -0.07 -2.66 0.06 0.00 1.34 0.00 0.00 72.50 71.18 1rrk s THR 288 CO -0.00 -0.22 0.57 -0.72 -0.54 0.00 0.00 174.62 173.71 1rrk s TYR 289 N -1.98 -0.49 0.00 3.99 1.13 -0.32 -0.51 117.35 119.16 1rrk s TYR 289 Ca 0.28 0.35 0.00 0.00 -1.41 0.00 0.00 57.07 56.28 1rrk s TYR 289 Cb -0.08 0.48 0.00 0.00 -1.10 0.00 0.00 41.96 41.26 1rrk s TYR 289 CO 0.17 -0.79 0.00 0.00 -2.51 0.00 0.00 175.55 172.42 1rrk n ALA 290 N -0.17 0.00 -0.34 9.51 0.00 -1.26 -0.05 120.51 128.21 1rrk n ALA 290 Ca -0.17 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.24 1rrk n ALA 290 Cb 0.64 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.21 1rrk n ALA 290 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1rrk h THR 291 N 0.00 1.25 -3.65 0.00 2.02 -1.22 0.14 112.91 111.44 1rrk h THR 291 Ca 0.00 -0.54 -0.27 0.00 0.77 0.00 0.00 66.41 66.37 1rrk h THR 291 Cb 0.00 -0.07 -0.15 0.00 -1.74 0.00 0.00 68.15 66.20 1rrk h THR 291 CO 0.00 0.26 -0.69 -0.31 0.37 0.00 0.00 175.52 175.15 1rrk s TYR 292 N -5.95 1.09 0.37 3.16 1.51 -1.26 -4.45 117.35 111.82 1rrk s TYR 292 Ca -0.13 -0.89 -0.08 0.00 -1.01 0.00 0.00 57.07 54.97 1rrk s TYR 292 Cb 0.17 -0.60 -0.06 0.00 -0.11 0.00 0.00 41.96 41.37 1rrk s TYR 292 CO 0.82 -0.08 0.69 -2.14 -1.11 0.00 0.00 175.55 173.72 1rrk s PRO 293 N -3.82 3.70 -0.10 -1.71 0.02 -1.26 -4.46 135.00 127.36 1rrk s PRO 293 Ca 0.16 0.26 -0.01 0.00 0.02 0.00 0.00 61.00 61.43 1rrk s PRO 293 Cb 0.05 -2.49 0.03 0.00 0.02 0.00 0.00 34.50 32.11 1rrk s PRO 293 CO -0.01 0.04 -0.05 0.21 -0.33 0.00 0.00 177.00 176.87 1rrk s LYS 294 N -3.84 1.17 -0.22 5.54 2.20 0.33 -4.98 119.74 119.95 1rrk s LYS 294 Ca 0.48 -0.12 -0.20 0.00 -0.36 0.00 0.00 55.97 55.77 1rrk s LYS 294 Cb -0.10 -1.36 -0.02 0.00 -1.51 0.00 0.00 37.83 34.84 1rrk s LYS 294 CO 0.32 -0.28 0.60 0.42 -0.36 0.00 0.00 175.35 176.05 1rrk s ILE 295 N 1.81 5.03 -0.20 5.43 -1.09 -1.26 -1.47 121.20 129.44 1rrk s ILE 295 Ca 0.05 1.12 0.12 0.00 -2.23 0.00 0.00 60.65 59.71 1rrk s ILE 295 Cb -0.12 -3.92 -0.21 0.00 -1.58 0.00 0.00 42.46 36.63 1rrk s ILE 295 CO -0.07 0.10 -0.02 0.79 -1.23 0.00 0.00 174.94 174.51 1rrk n TRP 296 N 5.19 0.00 -3.78 3.97 7.02 0.11 -4.97 117.44 124.99 1rrk n TRP 296 Ca -0.02 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.33 1rrk n TRP 296 Cb 0.50 -0.92 -0.14 0.00 -2.42 0.00 0.00 31.31 28.33 1rrk n TRP 296 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 1rrk s VAL 297 N -2.46 -0.03 -0.06 -0.99 1.01 -0.99 -4.93 120.40 111.95 1rrk s VAL 297 Ca -0.16 0.11 0.03 0.00 0.00 0.00 0.00 61.98 61.96 1rrk s VAL 297 Cb 0.06 -0.22 -0.03 0.00 0.00 0.00 0.00 36.38 36.20 1rrk s VAL 297 CO 0.70 0.04 -0.13 -0.54 0.00 0.00 0.00 175.10 175.17 1rrk s LYS 298 N 0.74 2.60 0.56 2.72 1.02 -1.26 -0.74 119.74 125.39 1rrk s LYS 298 Ca -0.06 -0.68 0.24 0.00 0.02 0.00 0.00 55.97 55.50 1rrk s LYS 298 Cb -0.07 -2.42 1.55 0.00 -0.52 0.00 0.00 37.83 36.36 1rrk s LYS 298 CO -0.04 0.59 2.15 -0.39 -0.92 0.00 0.00 175.35 176.74 1rrk h VAL 299 N 4.43 0.69 0.00 3.17 -1.51 -1.90 -1.08 116.25 120.05 1rrk h VAL 299 Ca -0.45 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 1rrk h VAL 299 Cb 1.16 0.92 0.00 0.00 -2.13 0.00 0.00 31.29 31.24 1rrk h VAL 299 CO 0.51 0.00 0.00 0.77 -1.23 0.00 0.00 177.57 177.62 1rrk h SER 300 N 0.00 0.00 -3.76 4.19 4.64 -1.89 -3.44 113.55 113.28 1rrk h SER 300 Ca 0.05 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.86 1rrk h SER 300 Cb 0.25 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.38 1rrk h SER 300 CO -0.00 0.00 0.55 -1.61 -0.87 0.00 0.00 176.83 174.90 1rrk s GLU 301 N -3.60 4.51 0.20 4.77 2.02 -0.41 -4.95 118.70 121.25 1rrk s GLU 301 Ca 0.01 1.96 -0.11 0.00 0.02 0.00 0.00 54.97 56.86 1rrk s GLU 301 Cb 0.09 -3.16 0.16 0.00 0.10 0.00 0.00 34.13 31.33 1rrk s GLU 301 CO 0.46 0.02 1.86 0.00 0.02 0.00 0.00 175.26 177.61 1rrk h ALA 302 N 3.97 0.89 0.00 5.21 0.00 -1.88 -1.90 119.26 125.56 1rrk h ALA 302 Ca -0.47 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1rrk h ALA 302 Cb 1.22 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1rrk h ALA 302 CO 0.68 0.25 0.00 -0.25 0.00 0.00 0.00 179.25 179.93 1rrk n ASP 303 N -4.64 0.00 0.20 0.00 10.43 -1.26 -3.53 116.55 117.75 1rrk n ASP 303 Ca 0.07 0.02 0.14 0.00 2.57 0.00 0.00 54.79 57.59 1rrk n ASP 303 Cb 0.06 -0.28 0.66 0.00 1.84 0.00 0.00 41.12 43.39 1rrk n ASP 303 CO 0.00 0.00 0.00 0.77 -1.07 0.00 0.00 177.20 176.90 1rrk h SER 304 N 0.00 0.00 -0.65 -2.24 4.64 -1.60 -1.29 113.55 112.41 1rrk h SER 304 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rrk h SER 304 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1rrk h SER 304 CO 0.00 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.42 1rrk n SER 305 N -2.51 4.12 -4.28 4.97 3.41 -1.23 -0.74 113.62 117.36 1rrk n SER 305 Ca 0.00 -2.18 -0.44 0.00 -0.26 0.00 0.00 58.87 55.99 1rrk n SER 305 Cb 0.16 -0.49 -0.06 0.00 -0.26 0.00 0.00 64.21 63.56 1rrk n SER 305 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1rrk s ASN 306 N -1.00 6.11 0.31 4.04 3.04 -0.49 -4.80 114.94 122.17 1rrk s ASN 306 Ca 0.47 -2.03 0.06 0.00 0.04 0.00 0.00 52.86 51.40 1rrk s ASN 306 Cb 0.27 -2.14 0.73 0.00 -1.54 0.00 0.00 41.25 38.57 1rrk s ASN 306 CO 0.28 -0.74 1.81 0.00 -3.04 0.00 0.00 177.10 175.41 1rrk h ALA 307 N 8.49 1.70 -0.57 1.71 0.00 -1.86 -0.36 119.26 128.36 1rrk h ALA 307 Ca -0.19 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1rrk h ALA 307 Cb 1.08 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1rrk h ALA 307 CO 0.93 -0.02 0.09 -0.44 0.00 0.00 0.00 179.25 179.80 1rrk h ASP 308 N 0.79 0.92 -0.44 0.00 3.45 -1.95 -0.55 116.42 118.64 1rrk h ASP 308 Ca 0.53 -0.26 -0.13 0.00 0.43 0.00 0.00 57.03 57.60 1rrk h ASP 308 Cb 0.80 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 39.31 1rrk h ASP 308 CO -0.31 0.95 -0.22 -0.25 -1.57 0.00 0.00 179.24 177.83 1rrk h TRP 309 N 0.85 1.06 -0.42 4.55 7.01 -1.59 -1.27 115.95 126.14 1rrk h TRP 309 Ca 0.17 -0.27 -0.08 0.00 2.11 0.00 0.00 58.89 60.83 1rrk h TRP 309 Cb 0.42 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 27.22 1rrk h TRP 309 CO 0.03 1.07 -0.03 0.28 -2.79 0.00 0.00 178.44 177.00 1rrk h VAL 310 N 0.75 1.27 -0.76 2.65 2.07 -1.03 -1.23 116.25 119.98 1rrk h VAL 310 Ca 0.10 -1.08 -0.01 0.00 0.82 0.00 0.00 66.70 66.52 1rrk h VAL 310 Cb 0.79 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.65 1rrk h VAL 310 CO 0.07 0.37 0.43 0.74 0.02 0.00 0.00 177.57 179.20 1rrk h THR 311 N 0.60 1.22 -0.10 2.57 2.02 -1.02 -0.12 112.91 118.07 1rrk h THR 311 Ca 0.12 -0.52 -0.00 0.00 0.77 0.00 0.00 66.41 66.78 1rrk h THR 311 Cb 0.53 0.17 -0.00 0.00 -1.74 0.00 0.00 68.15 67.11 1rrk h THR 311 CO 0.03 0.24 0.05 0.50 0.37 0.00 0.00 175.52 176.71 1rrk h LYS 312 N 1.05 0.15 -0.07 6.66 3.64 -0.84 0.93 116.57 128.09 1rrk h LYS 312 Ca 0.27 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.66 1rrk h LYS 312 Cb -0.01 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 1rrk h LYS 312 CO -0.05 0.22 -0.11 1.96 -2.27 0.00 0.00 179.45 179.20 1rrk h GLN 313 N 0.04 -0.15 -0.87 1.90 1.08 -0.67 -1.10 115.11 115.35 1rrk h GLN 313 Ca 0.04 0.01 0.07 0.00 -1.45 0.00 0.00 58.65 57.31 1rrk h GLN 313 Cb 0.12 0.03 -0.06 0.00 -0.05 0.00 0.00 27.48 27.52 1rrk h GLN 313 CO -0.00 -0.10 0.53 1.25 -0.95 0.00 0.00 178.83 179.56 1rrk h LEU 314 N -0.16 0.83 -1.34 1.46 5.85 -0.84 -1.48 115.31 119.64 1rrk h LEU 314 Ca 0.07 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 1rrk h LEU 314 Cb 0.25 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1rrk h LEU 314 CO -0.16 0.52 -0.12 0.78 -0.34 0.00 0.00 178.44 179.11 1rrk h ASN 315 N 0.96 0.27 1.16 1.25 -0.26 -0.17 -2.62 115.58 116.17 1rrk h ASN 315 Ca 0.38 -0.06 0.00 0.00 -0.56 0.00 0.00 56.30 56.07 1rrk h ASN 315 Cb 0.21 -0.07 0.00 0.00 -1.06 0.00 0.00 38.32 37.40 1rrk h ASN 315 CO -0.19 0.43 0.00 -0.62 -1.06 0.00 0.00 177.43 175.99 1rrk n GLU 316 N -4.26 0.12 -2.29 0.81 1.02 -0.48 -4.81 120.64 110.74 1rrk n GLU 316 Ca -0.00 0.12 -0.42 0.00 -0.02 0.00 0.00 57.16 56.83 1rrk n GLU 316 Cb 0.28 -1.64 -0.03 0.00 -0.02 0.00 0.00 31.44 30.03 1rrk n GLU 316 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1rrk s ILE 317 N -3.05 3.83 -0.06 -3.67 1.01 -0.99 -5.01 121.20 113.26 1rrk s ILE 317 Ca 0.12 1.23 0.03 0.00 0.00 0.00 0.00 60.65 62.03 1rrk s ILE 317 Cb 0.15 -3.79 -0.02 0.00 0.01 0.00 0.00 42.46 38.81 1rrk s ILE 317 CO 0.54 0.02 -0.14 0.21 0.00 0.00 0.00 174.94 175.56 1rrk s ASN 318 N 1.63 4.02 0.24 3.58 2.47 -1.26 -5.02 114.94 120.59 1rrk s ASN 318 Ca 0.61 -0.22 -0.10 0.00 0.42 0.00 0.00 52.86 53.58 1rrk s ASN 318 Cb -0.30 -0.95 0.36 0.00 -1.45 0.00 0.00 41.25 38.91 1rrk s ASN 318 CO 0.26 0.32 1.62 0.22 -3.72 0.00 0.00 177.10 175.80 1rrk h TYR 319 N 5.53 -0.25 0.00 0.43 3.20 -1.95 0.29 116.97 124.22 1rrk h TYR 319 Ca -0.43 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.50 1rrk h TYR 319 Cb 1.16 0.23 0.00 0.00 1.54 0.00 0.00 36.73 39.66 1rrk h TYR 319 CO 0.50 -0.29 0.00 0.39 -1.64 0.00 0.00 178.16 177.12 1rrk n GLU 320 N -5.43 0.06 -0.07 1.82 -0.58 -1.26 -2.64 120.64 112.55 1rrk n GLU 320 Ca 0.12 0.40 -0.04 0.00 -0.42 0.00 0.00 57.16 57.21 1rrk n GLU 320 Cb 0.42 -1.64 0.18 0.00 -0.57 0.00 0.00 31.44 29.83 1rrk n GLU 320 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1rrk h ASP 321 N 0.00 0.67 -3.38 1.62 3.45 -0.83 -3.40 116.42 114.55 1rrk h ASP 321 Ca 0.00 -0.18 -0.60 0.00 0.43 0.00 0.00 57.03 56.68 1rrk h ASP 321 Cb 0.18 -0.18 -0.09 0.00 -0.56 0.00 0.00 39.33 38.68 1rrk h ASP 321 CO 0.00 0.80 0.50 -2.28 -1.57 0.00 0.00 179.24 176.69 1rrk s HIS 322 N -4.82 3.21 0.74 4.55 2.46 -1.08 -5.03 115.29 115.32 1rrk s HIS 322 Ca -0.09 0.95 -0.03 0.00 0.47 0.00 0.00 55.06 56.37 1rrk s HIS 322 Cb 0.14 -3.28 0.13 0.00 -0.13 0.00 0.00 32.58 29.44 1rrk s HIS 322 CO 0.80 -0.57 1.02 0.15 -2.47 0.00 0.00 174.74 173.67 1rrk s LYS 323 N 3.07 1.61 -1.16 2.88 -0.14 -1.26 -4.62 119.74 120.13 1rrk s LYS 323 Ca 0.35 -0.99 -0.10 0.00 -1.36 0.00 0.00 55.97 53.87 1rrk s LYS 323 Cb -0.14 -2.28 -0.03 0.00 -1.68 0.00 0.00 37.83 33.71 1rrk s LYS 323 CO 0.12 -1.52 0.81 1.28 -0.76 0.00 0.00 175.35 175.28 1rrk n LEU 324 N -2.92 -3.82 0.06 3.17 4.77 -1.26 -4.54 117.00 112.45 1rrk n LEU 324 Ca 0.14 -0.86 0.11 0.00 -0.03 0.00 0.00 56.01 55.37 1rrk n LEU 324 Cb 0.60 -2.74 0.44 0.00 -2.33 0.00 0.00 43.42 39.39 1rrk n LEU 324 CO 0.43 0.34 0.84 0.29 -1.33 0.00 0.00 177.39 177.95 1rrk n LYS 325 N -3.91 0.10 0.23 3.23 5.02 -1.26 -2.87 118.16 118.70 1rrk n LYS 325 Ca -0.15 0.25 0.16 0.00 -2.02 0.00 0.00 58.31 56.55 1rrk n LYS 325 Cb 0.63 -1.66 0.62 0.00 -0.02 0.00 0.00 35.03 34.60 1rrk n LYS 325 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1rrk h SER 326 N 0.00 0.00 -3.00 4.39 0.02 -1.96 -0.55 113.55 112.45 1rrk h SER 326 Ca 0.00 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 60.33 1rrk h SER 326 Cb 0.41 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 62.83 1rrk h SER 326 CO 0.00 0.00 -0.67 -0.83 -1.14 0.00 0.00 176.83 174.19 1rrk s GLY 327 N -3.97 1.75 -0.27 -3.77 0.00 -1.21 -4.95 107.32 94.91 1rrk s GLY 327 Ca 0.02 -1.34 -0.04 0.00 0.00 0.00 0.00 44.72 43.37 1rrk s GLY 327 CO 0.49 -1.35 0.11 -1.59 0.00 0.00 0.00 173.10 170.77 1rrk s THR 328 N -1.63 0.12 -0.62 0.90 2.01 -1.26 -1.87 115.64 113.29 1rrk s THR 328 Ca 0.26 -0.78 -0.01 0.00 0.31 0.00 0.00 61.69 61.47 1rrk s THR 328 Cb -0.10 -1.05 0.16 0.00 0.01 0.00 0.00 72.50 71.53 1rrk s THR 328 CO 0.18 -0.63 0.43 0.21 -0.69 0.00 0.00 174.62 174.11 1rrk s ASN 329 N 2.01 5.08 0.35 3.53 3.04 0.48 -1.49 114.94 127.94 1rrk s ASN 329 Ca 0.08 -2.95 0.14 0.00 0.04 0.00 0.00 52.86 50.17 1rrk s ASN 329 Cb -0.16 -1.81 0.62 0.00 -1.54 0.00 0.00 41.25 38.36 1rrk s ASN 329 CO -0.30 -0.33 1.74 0.74 -3.04 0.00 0.00 177.10 175.92 1rrk h THR 330 N 5.23 1.20 -0.27 -5.21 2.02 -1.84 -2.98 112.91 111.07 1rrk h THR 330 Ca -0.02 -1.59 0.01 0.00 0.77 0.00 0.00 66.41 65.58 1rrk h THR 330 Cb 0.93 1.89 -0.02 0.00 -1.74 0.00 0.00 68.15 69.21 1rrk h THR 330 CO 0.71 0.44 0.16 0.50 0.37 0.00 0.00 175.52 177.69 1rrk h LYS 331 N 0.00 0.31 -0.45 6.66 3.64 -1.83 -2.12 116.57 122.78 1rrk h LYS 331 Ca -0.00 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.31 1rrk h LYS 331 Cb 0.85 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.58 1rrk h LYS 331 CO 0.06 0.21 0.09 0.87 -2.27 0.00 0.00 179.45 178.40 1rrk h LYS 332 N 0.32 0.68 -0.54 1.90 1.57 -1.89 -1.48 116.57 117.14 1rrk h LYS 332 Ca 0.10 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1rrk h LYS 332 Cb -0.00 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 1rrk h LYS 332 CO -0.05 0.64 0.29 0.00 -0.57 0.00 0.00 179.45 179.76 1rrk h ALA 333 N 1.44 0.69 0.00 3.86 0.00 -1.30 -1.65 119.26 122.29 1rrk h ALA 333 Ca 0.15 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1rrk h ALA 333 Cb 0.28 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1rrk h ALA 333 CO 0.00 0.22 -0.34 -0.07 0.00 0.00 0.00 179.25 179.05 1rrk h LEU 334 N 0.72 0.00 -0.91 0.00 3.38 -1.05 -2.50 115.31 114.96 1rrk h LEU 334 Ca 0.19 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.05 1rrk h LEU 334 Cb 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1rrk h LEU 334 CO -0.03 0.34 -0.48 1.56 0.09 0.00 0.00 178.44 179.92 1rrk h GLN 335 N 0.00 0.15 -0.46 1.13 4.20 -0.60 -0.53 115.11 119.00 1rrk h GLN 335 Ca -0.00 -0.08 -0.04 0.00 0.06 0.00 0.00 58.65 58.59 1rrk h GLN 335 Cb 0.83 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.59 1rrk h GLN 335 CO 0.04 0.60 0.13 0.00 -0.67 0.00 0.00 178.83 178.94 1rrk h ALA 336 N 1.39 1.37 -0.20 3.87 0.00 -0.86 -0.53 119.26 124.29 1rrk h ALA 336 Ca 0.00 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.60 1rrk h ALA 336 Cb 0.90 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1rrk h ALA 336 CO 0.07 0.46 -0.47 0.28 0.00 0.00 0.00 179.25 179.59 1rrk h VAL 337 N 0.67 1.32 -0.84 0.00 2.07 -1.25 -3.01 116.25 115.21 1rrk h VAL 337 Ca 0.16 -1.71 0.11 0.00 0.82 0.00 0.00 66.70 66.08 1rrk h VAL 337 Cb 0.22 1.89 -0.08 0.00 -1.52 0.00 0.00 31.29 31.79 1rrk h VAL 337 CO -0.01 0.53 0.46 0.22 0.02 0.00 0.00 177.57 178.80 1rrk h TYR 338 N 0.36 0.83 -0.65 1.57 3.20 -0.41 -0.73 116.97 121.14 1rrk h TYR 338 Ca -0.00 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1rrk h TYR 338 Cb 1.09 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 39.08 1rrk h TYR 338 CO 0.09 0.30 0.38 0.77 -1.64 0.00 0.00 178.16 178.05 1rrk h SER 339 N 0.74 0.78 0.57 -2.11 0.02 -1.04 0.37 113.55 112.88 1rrk h SER 339 Ca 0.42 -0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 61.25 1rrk h SER 339 Cb 0.46 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1rrk h SER 339 CO -0.29 0.61 -0.35 0.24 -1.14 0.00 0.00 176.83 175.91 1rrk h MET 340 N 0.90 0.00 0.00 3.45 2.86 -1.02 -2.69 114.93 118.43 1rrk h MET 340 Ca 0.23 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.75 1rrk h MET 340 Cb -0.01 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 1rrk h MET 340 CO -0.04 0.35 -1.01 0.52 1.06 0.00 0.00 176.91 177.79 1rrk h MET 341 N 0.00 0.00 -7.22 1.72 2.07 -0.83 -3.47 114.93 107.21 1rrk h MET 341 Ca -0.00 0.00 -0.53 0.00 -2.07 0.00 0.00 59.70 57.09 1rrk h MET 341 Cb 0.73 0.00 0.18 0.00 -1.87 0.00 0.00 31.60 30.64 1rrk h MET 341 CO 0.05 0.31 0.33 -1.12 1.07 0.00 0.00 176.91 177.54 1rrk s SER 342 N -5.97 3.53 -0.26 1.22 0.01 0.04 -5.03 113.70 107.24 1rrk s SER 342 Ca 0.00 2.33 -0.03 0.00 1.31 0.00 0.00 55.95 59.56 1rrk s SER 342 Cb 0.08 -2.58 0.09 0.00 0.21 0.00 0.00 66.02 63.82 1rrk s SER 342 CO 0.78 -2.71 0.11 0.26 0.41 0.00 0.00 173.24 172.09 1rrk s TRP 343 N -2.22 0.68 -0.34 2.43 0.51 -1.26 -5.01 118.94 113.73 1rrk s TRP 343 Ca 0.72 -0.98 0.09 0.00 -2.12 0.00 0.00 56.10 53.82 1rrk s TRP 343 Cb -0.28 -1.06 0.74 0.00 -0.81 0.00 0.00 33.47 32.06 1rrk s TRP 343 CO 0.51 -0.77 1.81 -2.30 -0.51 0.00 0.00 176.95 175.70 1rrk n PRO 344 N 5.14 3.62 0.00 4.98 -0.03 -1.26 -5.27 135.00 142.18 1rrk n PRO 344 Ca -0.06 -3.03 0.00 0.00 -0.03 0.00 0.00 63.50 60.38 1rrk n PRO 344 Cb 0.44 -2.21 0.00 0.00 -0.03 0.00 0.00 33.50 31.70 1rrk n PRO 344 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 175.50 175.88 1rrk n GLY 351 N -0.20 0.00 0.32 -1.23 0.00 -1.26 -5.31 105.19 97.51 1rrk n GLY 351 Ca 0.42 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.56 1rrk n GLY 351 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1rrk h TRP 352 N 1.35 0.14 0.00 1.61 6.55 -2.03 -1.45 115.95 122.13 1rrk h TRP 352 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 1rrk h TRP 352 Cb 0.00 -0.05 0.00 0.00 -0.86 0.00 0.00 29.16 28.25 1rrk h TRP 352 CO 0.00 0.08 0.00 0.27 -1.05 0.00 0.00 178.44 177.74 1rrk n ASN 353 N -4.47 0.00 -0.02 -3.49 6.94 -1.26 -2.62 115.26 110.35 1rrk n ASN 353 Ca 0.04 0.27 0.09 0.00 -0.02 0.00 0.00 54.58 54.97 1rrk n ASN 353 Cb 0.31 -0.39 -0.10 0.00 -2.36 0.00 0.00 39.78 37.23 1rrk n ASN 353 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1rrk n ARG 354 N -1.39 0.73 -2.85 -3.83 1.74 -0.55 -4.94 116.66 105.58 1rrk n ARG 354 Ca 0.06 -0.04 -0.41 0.00 -0.77 0.00 0.00 57.85 56.68 1rrk n ARG 354 Cb 0.15 -1.40 -0.04 0.00 -1.02 0.00 0.00 32.46 30.15 1rrk n ARG 354 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1rrk s THR 355 N -2.78 4.89 -0.06 0.55 2.01 -1.08 -4.28 115.64 114.90 1rrk s THR 355 Ca 0.08 1.75 -0.16 0.00 0.31 0.00 0.00 61.69 63.66 1rrk s THR 355 Cb 0.14 -4.19 -0.05 0.00 0.01 0.00 0.00 72.50 68.42 1rrk s THR 355 CO 0.77 0.08 0.44 0.00 -0.69 0.00 0.00 174.62 175.22 1rrk s ARG 356 N 1.72 4.15 -0.10 4.92 3.03 -0.33 -4.92 118.95 127.42 1rrk s ARG 356 Ca 0.42 0.42 0.01 0.00 2.03 0.00 0.00 55.73 58.61 1rrk s ARG 356 Cb -0.18 -3.33 -0.02 0.00 -1.03 0.00 0.00 34.95 30.39 1rrk s ARG 356 CO 0.17 0.42 -0.12 -1.01 -1.13 0.00 0.00 175.30 173.63 1rrk s HIS 357 N -0.21 2.81 -0.18 5.89 3.76 0.50 -1.27 115.29 126.59 1rrk s HIS 357 Ca 0.24 -0.34 -0.00 0.00 -0.15 0.00 0.00 55.06 54.81 1rrk s HIS 357 Cb -0.16 -1.76 0.04 0.00 1.11 0.00 0.00 32.58 31.81 1rrk s HIS 357 CO 0.11 0.02 -0.06 0.08 -0.85 0.00 0.00 174.74 174.05 1rrk s VAL 358 N -0.19 1.21 -0.21 -0.90 1.01 0.21 -1.29 120.40 120.24 1rrk s VAL 358 Ca 0.01 -0.74 -0.10 0.00 0.00 0.00 0.00 61.98 61.15 1rrk s VAL 358 Cb -0.13 -1.39 -0.05 0.00 0.00 0.00 0.00 36.38 34.81 1rrk s VAL 358 CO 0.03 0.10 0.12 -0.63 0.00 0.00 0.00 175.10 174.73 1rrk s ILE 359 N 1.58 5.25 -0.32 2.22 1.01 0.68 -0.26 121.20 131.35 1rrk s ILE 359 Ca -0.00 0.13 0.04 0.00 0.00 0.00 0.00 60.65 60.82 1rrk s ILE 359 Cb -0.16 -3.41 0.09 0.00 0.01 0.00 0.00 42.46 39.00 1rrk s ILE 359 CO -0.08 0.41 0.01 -0.63 0.00 0.00 0.00 174.94 174.66 1rrk s ILE 360 N 0.61 2.20 -0.24 2.92 1.01 -0.03 0.29 121.20 127.95 1rrk s ILE 360 Ca 0.07 -2.12 -0.10 0.00 0.00 0.00 0.00 60.65 58.49 1rrk s ILE 360 Cb -0.12 -2.54 -0.05 0.00 0.01 0.00 0.00 42.46 39.76 1rrk s ILE 360 CO 0.01 -0.45 0.15 -0.22 0.00 0.00 0.00 174.94 174.43 1rrk s LEU 361 N 0.98 4.05 -0.30 2.97 2.96 0.16 -1.36 118.68 128.14 1rrk s LEU 361 Ca 0.06 0.08 -0.02 0.00 -0.22 0.00 0.00 54.13 54.02 1rrk s LEU 361 Cb -0.19 -2.09 0.05 0.00 0.50 0.00 0.00 46.19 44.45 1rrk s LEU 361 CO -0.08 0.05 0.01 -0.04 -1.32 0.00 0.00 176.35 174.97 1rrk s MET 362 N 1.15 2.50 0.29 1.98 -1.94 -0.18 -0.42 119.30 122.67 1rrk s MET 362 Ca 0.07 -1.22 -0.17 0.00 -1.71 0.00 0.00 55.69 52.66 1rrk s MET 362 Cb -0.14 -3.20 0.02 0.00 2.01 0.00 0.00 34.83 33.52 1rrk s MET 362 CO 0.05 -0.60 0.65 -0.08 -0.01 0.00 0.00 175.02 175.03 1rrk s THR 363 N 1.28 0.00 -2.71 2.05 -1.32 -1.05 -1.40 115.64 112.49 1rrk s THR 363 Ca -0.04 -1.14 0.24 0.00 -1.21 0.00 0.00 61.69 59.53 1rrk s THR 363 Cb -0.19 -2.22 0.33 0.00 -1.51 0.00 0.00 72.50 68.90 1rrk s THR 363 CO -0.01 0.00 1.36 -0.90 -2.21 0.00 0.00 174.62 172.86 1rrk n ASP 364 N -0.63 3.12 -0.15 8.08 3.85 -1.26 -1.22 116.55 128.34 1rrk n ASP 364 Ca -0.04 -1.97 -0.02 0.00 -0.71 0.00 0.00 54.79 52.05 1rrk n ASP 364 Cb 0.60 -0.12 -0.01 0.00 -1.35 0.00 0.00 41.12 40.24 1rrk n ASP 364 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1rrk n GLY 365 N 1.41 0.53 2.66 6.12 0.00 -1.26 -1.42 105.19 113.23 1rrk n GLY 365 Ca 0.17 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 1rrk n GLY 365 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1rrk n LEU 366 N -0.22 7.31 -4.73 0.99 4.77 -1.26 -4.75 117.00 119.10 1rrk n LEU 366 Ca -0.02 -5.37 -0.41 0.00 -0.03 0.00 0.00 56.01 50.18 1rrk n LEU 366 Cb 0.14 -1.15 -0.03 0.00 -2.33 0.00 0.00 43.42 40.05 1rrk n LEU 366 CO 0.03 2.04 0.99 -1.38 -1.33 0.00 0.00 177.39 177.75 1rrk s HIS 367 N -4.31 3.25 -0.02 -1.77 -3.43 -1.26 -4.84 115.29 102.92 1rrk s HIS 367 Ca 0.40 1.19 0.03 0.00 -0.80 0.00 0.00 55.06 55.88 1rrk s HIS 367 Cb 0.20 -3.61 0.05 0.00 -1.43 0.00 0.00 32.58 27.79 1rrk s HIS 367 CO -0.15 -1.94 0.92 0.27 -2.00 0.00 0.00 174.74 171.85 1rrk n ASN 368 N 2.80 1.54 -3.94 7.38 0.23 -0.55 -5.02 115.26 117.69 1rrk n ASN 368 Ca 0.07 -1.98 -0.10 0.00 -0.53 0.00 0.00 54.58 52.04 1rrk n ASN 368 Cb 0.43 -0.08 -0.10 0.00 -2.08 0.00 0.00 39.78 37.94 1rrk n ASN 368 CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 1rrk s MET 369 N -1.05 0.43 0.10 -3.83 -1.94 -0.93 -4.84 119.30 107.23 1rrk s MET 369 Ca 0.05 -0.59 0.00 0.00 -1.71 0.00 0.00 55.69 53.44 1rrk s MET 369 Cb 0.05 0.16 0.00 0.00 2.01 0.00 0.00 34.83 37.05 1rrk s MET 369 CO 0.00 -0.09 0.00 0.41 -0.01 0.00 0.00 175.02 175.33 1rrk n GLY 370 N 1.34 -1.61 0.00 -0.03 0.00 -1.26 -4.41 105.19 99.22 1rrk n GLY 370 Ca -0.22 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.37 1rrk n GLY 370 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rrk n GLY 371 N -2.15 -0.07 3.64 -0.02 0.00 -1.26 -4.99 105.19 100.34 1rrk n GLY 371 Ca -0.00 -1.70 -0.43 0.00 0.00 0.00 0.00 46.02 43.89 1rrk n GLY 371 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1rrk s ASP 372 N -1.00 6.78 0.58 1.61 3.68 -1.26 -4.62 116.67 122.44 1rrk s ASP 372 Ca 0.00 1.31 0.28 0.00 2.13 0.00 0.00 52.55 56.27 1rrk s ASP 372 Cb 0.00 -2.54 1.55 0.00 -1.45 0.00 0.00 42.92 40.48 1rrk s ASP 372 CO 0.00 -0.97 2.01 -0.65 0.13 0.00 0.00 175.17 175.70 1rrk h PRO 373 N 8.83 0.00 -0.55 4.34 0.11 -1.94 -2.06 132.00 140.73 1rrk h PRO 373 Ca -0.25 0.00 0.14 0.00 0.11 0.00 0.00 66.00 66.00 1rrk h PRO 373 Cb 1.09 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 1rrk h PRO 373 CO 1.02 0.00 0.39 0.82 -0.21 0.00 0.00 178.00 180.01 1rrk h ILE 374 N 0.00 0.77 -0.93 4.15 1.08 -1.94 -1.42 117.51 119.23 1rrk h ILE 374 Ca 0.16 -0.04 0.01 0.00 -0.39 0.00 0.00 64.86 64.60 1rrk h ILE 374 Cb 0.80 0.66 -0.05 0.00 -3.07 0.00 0.00 36.82 35.16 1rrk h ILE 374 CO -0.00 0.02 0.62 0.00 -0.69 0.00 0.00 178.15 178.09 1rrk h THR 375 N 0.11 1.24 -0.47 -0.27 1.03 -1.78 -2.22 112.91 110.55 1rrk h THR 375 Ca 0.26 -0.44 -0.06 0.00 -0.01 0.00 0.00 66.41 66.16 1rrk h THR 375 Cb 0.89 -0.13 -0.02 0.00 -1.07 0.00 0.00 68.15 67.82 1rrk h THR 375 CO -0.03 0.23 0.03 0.58 -0.01 0.00 0.00 175.52 176.32 1rrk h VAL 376 N 1.26 1.23 -0.69 0.00 2.07 -1.46 -1.67 116.25 117.00 1rrk h VAL 376 Ca 0.34 -0.93 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 1rrk h VAL 376 Cb -0.14 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 1rrk h VAL 376 CO -0.07 0.33 0.30 0.40 0.02 0.00 0.00 177.57 178.55 1rrk h ILE 377 N 0.72 1.23 -0.72 4.57 1.08 -1.41 0.30 117.51 123.27 1rrk h ILE 377 Ca 0.15 -0.68 -0.06 0.00 -0.39 0.00 0.00 64.86 63.87 1rrk h ILE 377 Cb 0.40 0.37 -0.03 0.00 -3.07 0.00 0.00 36.82 34.49 1rrk h ILE 377 CO 0.01 0.28 0.21 0.44 -0.69 0.00 0.00 178.15 178.41 1rrk h ASP 378 N 0.99 1.06 0.03 1.72 3.45 -0.97 -0.65 116.42 122.05 1rrk h ASP 378 Ca 0.24 -0.21 -0.11 0.00 0.43 0.00 0.00 57.03 57.39 1rrk h ASP 378 Cb 0.14 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 38.62 1rrk h ASP 378 CO -0.03 0.99 -0.33 -0.33 -1.57 0.00 0.00 179.24 177.98 1rrk h GLU 379 N 1.08 0.42 -0.34 3.56 5.08 -0.44 -2.07 114.58 121.88 1rrk h GLU 379 Ca 0.23 -0.18 -0.10 0.00 -1.00 0.00 0.00 59.36 58.31 1rrk h GLU 379 Cb 0.32 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1rrk h GLU 379 CO -0.00 0.71 -0.16 0.82 -1.00 0.00 0.00 179.01 179.37 1rrk h ILE 380 N 0.37 1.29 -0.69 3.13 2.04 -0.40 -0.34 117.51 122.91 1rrk h ILE 380 Ca 0.04 -1.28 -0.04 0.00 1.00 0.00 0.00 64.86 64.59 1rrk h ILE 380 Cb 0.76 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 38.19 1rrk h ILE 380 CO 0.06 0.42 0.28 0.03 0.00 0.00 0.00 178.15 178.94 1rrk h ARG 381 N 0.49 1.03 -0.35 2.37 3.08 -1.00 0.14 114.38 120.13 1rrk h ARG 381 Ca 0.08 -0.18 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 1rrk h ARG 381 Cb 0.70 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 1rrk h ARG 381 CO 0.05 0.85 0.12 -0.44 -1.07 0.00 0.00 179.97 179.48 1rrk h ASP 382 N 0.98 0.50 -0.97 7.04 5.19 -1.27 0.26 116.42 128.15 1rrk h ASP 382 Ca 0.23 -0.19 0.05 0.00 -0.62 0.00 0.00 57.03 56.50 1rrk h ASP 382 Cb 0.20 -0.13 -0.06 0.00 0.18 0.00 0.00 39.33 39.52 1rrk h ASP 382 CO -0.02 0.56 0.64 0.25 -3.12 0.00 0.00 179.24 177.54 1rrk h LEU 383 N 0.42 1.04 -1.63 1.55 5.85 -0.60 -1.47 115.31 120.46 1rrk h LEU 383 Ca 0.11 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1rrk h LEU 383 Cb 0.23 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1rrk h LEU 383 CO -0.01 0.69 0.00 0.18 -0.34 0.00 0.00 178.44 178.97 1rrk n LEU 384 N -4.46 2.42 -3.47 2.25 4.77 -0.00 -4.95 117.00 113.55 1rrk n LEU 384 Ca 0.14 -1.09 -0.18 0.00 -0.03 0.00 0.00 56.01 54.85 1rrk n LEU 384 Cb 0.13 -0.21 0.08 0.00 -2.33 0.00 0.00 43.42 41.09 1rrk n LEU 384 CO 0.34 0.54 0.08 0.00 -1.33 0.00 0.00 177.39 177.02 1rrk n TYR 385 N 0.81 -2.15 -4.53 -1.77 9.36 -0.05 -5.00 117.16 113.82 1rrk n TYR 385 Ca 0.17 0.92 -0.34 0.00 3.32 0.00 0.00 57.90 61.97 1rrk n TYR 385 Cb 0.42 -4.92 -0.12 0.00 -0.63 0.00 0.00 39.34 34.10 1rrk n TYR 385 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1rrk s ILE 386 N -3.41 3.77 -0.49 2.97 1.01 0.71 -4.43 121.20 121.33 1rrk s ILE 386 Ca 0.03 -0.43 -0.00 0.00 0.00 0.00 0.00 60.65 60.25 1rrk s ILE 386 Cb -0.00 -2.59 0.00 0.00 0.01 0.00 0.00 42.46 39.87 1rrk s ILE 386 CO 0.74 0.55 0.02 0.61 0.00 0.00 0.00 174.94 176.87 1rrk n GLY 387 N 2.87 0.16 0.17 6.18 0.00 0.07 -4.59 105.19 110.05 1rrk n GLY 387 Ca -0.18 -0.63 -0.16 0.00 0.00 0.00 0.00 46.02 45.05 1rrk n GLY 387 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rrk n LYS 388 N -1.57 0.48 -4.32 1.61 4.01 -1.26 -5.00 118.16 112.10 1rrk n LYS 388 Ca -0.06 0.14 -0.23 0.00 -0.51 0.00 0.00 58.31 57.64 1rrk n LYS 388 Cb 0.55 -1.36 -0.17 0.00 -0.51 0.00 0.00 35.03 33.55 1rrk n LYS 388 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1rrk s ASP 389 N -6.21 1.51 -1.13 4.39 1.11 -1.26 -5.04 116.67 110.03 1rrk s ASP 389 Ca -0.28 -0.23 -0.06 0.00 0.18 0.00 0.00 52.55 52.17 1rrk s ASP 389 Cb 0.08 -0.68 0.27 0.00 1.07 0.00 0.00 42.92 43.67 1rrk s ASP 389 CO 0.43 -0.02 1.58 0.54 1.18 0.00 0.00 175.17 178.88 1rrk n ARG 390 N 4.07 4.25 -0.67 8.23 5.12 -1.26 0.34 116.66 136.74 1rrk n ARG 390 Ca -0.22 -4.29 -0.07 0.00 -1.93 0.00 0.00 57.85 51.34 1rrk n ARG 390 Cb 0.51 -2.62 -0.02 0.00 -1.16 0.00 0.00 32.46 29.17 1rrk n ARG 390 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1rrk n ASN 392 N 2.01 -0.29 -0.34 0.55 5.15 -1.26 -5.08 115.26 116.00 1rrk n ASN 392 Ca 0.29 -0.96 0.09 0.00 -0.60 0.00 0.00 54.58 53.40 1rrk n ASN 392 Cb 0.34 -0.13 0.25 0.00 -0.53 0.00 0.00 39.78 39.72 1rrk n ASN 392 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1rrk h PRO 393 N 6.97 0.80 -2.09 1.20 0.11 -0.48 -3.44 132.00 135.07 1rrk h PRO 393 Ca 0.04 -0.05 -0.32 0.00 0.11 0.00 0.00 66.00 65.78 1rrk h PRO 393 Cb 0.33 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 31.23 1rrk h PRO 393 CO 0.64 0.53 -0.40 0.54 -0.21 0.00 0.00 178.00 179.10 1rrk n ARG 394 N -4.74 -1.26 0.24 1.05 1.74 -1.26 -0.75 116.66 111.69 1rrk n ARG 394 Ca 0.19 0.82 0.09 0.00 -0.77 0.00 0.00 57.85 58.18 1rrk n ARG 394 Cb 0.43 -5.18 0.62 0.00 -1.02 0.00 0.00 32.46 27.31 1rrk n ARG 394 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1rrk h GLU 395 N 0.00 0.00 0.00 5.56 4.39 -1.93 -2.20 114.58 120.40 1rrk h GLU 395 Ca -0.37 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.33 1rrk h GLU 395 Cb 1.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 1rrk h GLU 395 CO 0.45 0.17 0.00 -0.25 -1.16 0.00 0.00 179.01 178.22 1rrk n ASP 396 N -3.91 0.40 -0.61 1.42 10.43 -1.26 -2.54 116.55 120.48 1rrk n ASP 396 Ca -0.02 0.65 0.13 0.00 2.57 0.00 0.00 54.79 58.12 1rrk n ASP 396 Cb 0.26 -0.72 0.40 0.00 1.84 0.00 0.00 41.12 42.91 1rrk n ASP 396 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 1rrk n TYR 397 N -2.00 0.08 -3.76 1.24 4.02 -0.83 -4.79 117.16 111.12 1rrk n TYR 397 Ca 0.00 -0.04 -0.13 0.00 -0.01 0.00 0.00 57.90 57.73 1rrk n TYR 397 Cb 0.09 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.29 1rrk n TYR 397 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1rrk s LEU 398 N -1.88 0.80 -0.03 7.72 2.96 -1.05 -0.37 118.68 126.82 1rrk s LEU 398 Ca 0.35 0.49 -0.01 0.00 -0.22 0.00 0.00 54.13 54.74 1rrk s LEU 398 Cb 0.20 0.76 0.03 0.00 0.50 0.00 0.00 46.19 47.68 1rrk s LEU 398 CO 0.31 -0.12 0.06 -1.81 -1.32 0.00 0.00 176.35 173.47 1rrk s ASP 399 N 0.64 0.02 -0.28 3.68 1.11 -0.41 -4.96 116.67 116.47 1rrk s ASP 399 Ca -0.04 0.10 0.03 0.00 0.18 0.00 0.00 52.55 52.82 1rrk s ASP 399 Cb -0.06 0.00 0.07 0.00 1.07 0.00 0.00 42.92 44.01 1rrk s ASP 399 CO -0.04 -0.12 -0.05 -0.69 1.18 0.00 0.00 175.17 175.44 1rrk s VAL 400 N 1.01 2.05 -0.14 -1.27 1.01 -1.26 -0.23 120.40 121.57 1rrk s VAL 400 Ca -0.08 -1.74 -0.07 0.00 0.00 0.00 0.00 61.98 60.09 1rrk s VAL 400 Cb -0.12 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 1rrk s VAL 400 CO -0.03 -0.20 0.12 -0.31 0.00 0.00 0.00 175.10 174.68 1rrk s TYR 401 N 1.12 3.51 -0.15 5.22 2.02 0.15 -0.94 117.35 128.27 1rrk s TYR 401 Ca -0.03 0.44 0.00 0.00 -0.37 0.00 0.00 57.07 57.11 1rrk s TYR 401 Cb -0.19 -1.98 0.03 0.00 -0.40 0.00 0.00 41.96 39.42 1rrk s TYR 401 CO -0.07 0.60 -0.10 0.08 -1.57 0.00 0.00 175.55 174.49 1rrk s VAL 402 N -0.67 1.34 -0.32 0.71 1.01 -0.32 -0.66 120.40 121.48 1rrk s VAL 402 Ca 0.13 -0.60 -0.10 0.00 0.00 0.00 0.00 61.98 61.41 1rrk s VAL 402 Cb -0.12 -1.36 0.00 0.00 0.00 0.00 0.00 36.38 34.91 1rrk s VAL 402 CO 0.02 0.32 0.16 -0.36 0.00 0.00 0.00 175.10 175.24 1rrk s PHE 403 N 1.56 3.19 -0.08 5.22 2.99 0.44 -2.35 117.98 128.95 1rrk s PHE 403 Ca 0.03 -0.67 -0.30 0.00 0.00 0.00 0.00 56.93 55.99 1rrk s PHE 403 Cb -0.14 -2.37 -0.04 0.00 0.00 0.00 0.00 43.02 40.47 1rrk s PHE 403 CO -0.09 -0.50 1.43 0.20 -0.00 0.00 0.00 175.22 176.26 1rrk s GLY 404 N 1.60 1.68 -0.21 4.36 0.00 0.47 -2.52 107.32 112.69 1rrk s GLY 404 Ca 0.04 0.75 -0.09 0.00 0.00 0.00 0.00 44.72 45.42 1rrk s GLY 404 CO 0.06 2.68 0.10 0.14 0.00 0.00 0.00 173.10 176.08 1rrk s VAL 405 N 3.33 4.99 0.00 1.40 1.01 -0.36 -1.08 120.40 129.69 1rrk s VAL 405 Ca 0.64 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.66 1rrk s VAL 405 Cb -0.28 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 32.81 1rrk s VAL 405 CO 0.23 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.36 1rrk n GLY 406 N 3.88 0.35 0.18 4.51 0.00 -1.26 -4.29 105.19 108.56 1rrk n GLY 406 Ca -0.16 -1.82 0.06 0.00 0.00 0.00 0.00 46.02 44.10 1rrk n GLY 406 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1rrk h PRO 407 N 0.00 0.00 -2.97 1.61 0.11 -1.97 -3.38 132.00 125.40 1rrk h PRO 407 Ca 0.00 0.00 -0.70 0.00 0.11 0.00 0.00 66.00 65.41 1rrk h PRO 407 Cb 0.00 0.00 -0.36 0.00 0.11 0.00 0.00 31.00 30.75 1rrk h PRO 407 CO 0.00 0.35 -0.04 1.28 -0.21 0.00 0.00 178.00 179.39 1rrk n LEU 408 N -3.32 4.53 -4.71 2.35 4.77 -1.26 -5.05 117.00 114.32 1rrk n LEU 408 Ca 0.01 -5.23 -0.32 0.00 -0.03 0.00 0.00 56.01 50.44 1rrk n LEU 408 Cb 0.58 -1.03 -0.08 0.00 -2.33 0.00 0.00 43.42 40.56 1rrk n LEU 408 CO 0.37 1.71 -0.31 -0.69 -1.33 0.00 0.00 177.39 177.14 1rrk s VAL 409 N -1.93 4.27 -0.89 4.08 1.01 -1.26 -4.95 120.40 120.73 1rrk s VAL 409 Ca 0.31 -0.62 -0.15 0.00 0.00 0.00 0.00 61.98 61.52 1rrk s VAL 409 Cb 0.01 -2.94 0.20 0.00 0.00 0.00 0.00 36.38 33.65 1rrk s VAL 409 CO -0.05 0.32 0.91 0.21 0.00 0.00 0.00 175.10 176.49 1rrk s ASN 410 N -1.74 6.80 0.42 3.32 3.04 -0.51 -4.92 114.94 121.35 1rrk s ASN 410 Ca 0.22 -2.65 0.20 0.00 0.04 0.00 0.00 52.86 50.68 1rrk s ASN 410 Cb -0.12 -2.26 1.15 0.00 -1.54 0.00 0.00 41.25 38.49 1rrk s ASN 410 CO 0.13 -0.66 1.79 1.56 -3.04 0.00 0.00 177.10 176.88 1rrk h GLN 411 N 7.89 0.34 -0.12 0.43 1.08 -1.95 -2.44 115.11 120.33 1rrk h GLN 411 Ca 0.13 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.30 1rrk h GLN 411 Cb 1.01 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 28.36 1rrk h GLN 411 CO 0.87 0.22 0.03 0.28 -0.95 0.00 0.00 178.83 179.28 1rrk h VAL 412 N 0.35 1.21 -0.46 -0.54 2.07 -1.97 -0.87 116.25 116.02 1rrk h VAL 412 Ca 0.56 -0.65 -0.07 0.00 0.82 0.00 0.00 66.70 67.36 1rrk h VAL 412 Cb 1.53 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 32.68 1rrk h VAL 412 CO -0.24 0.19 -0.01 0.78 0.02 0.00 0.00 177.57 178.31 1rrk h ASN 413 N -0.02 0.74 -0.34 0.57 -0.26 -1.74 -1.85 115.58 112.69 1rrk h ASN 413 Ca 0.04 -0.18 -0.09 0.00 -0.56 0.00 0.00 56.30 55.51 1rrk h ASN 413 Cb 0.27 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.32 1rrk h ASN 413 CO 0.00 0.82 -0.14 0.40 -1.06 0.00 0.00 177.43 177.45 1rrk h ILE 414 N 0.72 1.28 -0.54 2.81 2.04 -1.43 -3.06 117.51 119.34 1rrk h ILE 414 Ca 0.14 -1.24 -0.06 0.00 1.00 0.00 0.00 64.86 64.70 1rrk h ILE 414 Cb 0.46 1.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 1rrk h ILE 414 CO 0.02 0.40 0.09 0.78 0.00 0.00 0.00 178.15 179.45 1rrk h ASN 415 N 0.48 0.81 -0.97 1.72 -0.26 -1.01 -3.05 115.58 113.30 1rrk h ASN 415 Ca 0.08 -0.16 0.03 0.00 -0.56 0.00 0.00 56.30 55.69 1rrk h ASN 415 Cb 0.67 -0.21 -0.06 0.00 -1.06 0.00 0.00 38.32 37.66 1rrk h ASN 415 CO 0.04 0.82 0.63 0.00 -1.06 0.00 0.00 177.43 177.86 1rrk h ALA 416 N 1.28 1.27 0.01 -0.83 0.00 -1.24 -3.14 119.26 116.62 1rrk h ALA 416 Ca 0.17 -0.05 -0.22 0.00 0.00 0.00 0.00 54.91 54.81 1rrk h ALA 416 Cb 0.36 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1rrk h ALA 416 CO 0.01 0.53 -1.09 -0.07 0.00 0.00 0.00 179.25 178.63 1rrk h LEU 417 N 1.24 0.03-10.19 0.00 3.38 -1.47 -3.47 115.31 104.82 1rrk h LEU 417 Ca 0.38 -0.03 -0.52 0.00 0.09 0.00 0.00 57.88 57.80 1rrk h LEU 417 Cb -0.02 -0.01 0.12 0.00 0.09 0.00 0.00 40.66 40.83 1rrk h LEU 417 CO -0.12 1.03 0.38 0.00 0.09 0.00 0.00 178.44 179.82 1rrk s ALA 418 N -2.70 2.38 0.82 1.53 0.00 -1.16 -4.87 121.76 117.77 1rrk s ALA 418 Ca 0.00 0.66 -0.11 0.00 0.00 0.00 0.00 51.96 52.51 1rrk s ALA 418 Cb 0.10 -3.36 0.09 0.00 0.00 0.00 0.00 23.12 19.94 1rrk s ALA 418 CO 0.82 -1.42 1.14 -1.12 0.00 0.00 0.00 175.76 175.19 1rrk s SER 419 N -2.37 3.73 -0.40 0.00 0.01 -0.11 -4.96 113.70 109.59 1rrk s SER 419 Ca 0.69 2.12 0.01 0.00 1.31 0.00 0.00 55.95 60.09 1rrk s SER 419 Cb -0.23 -2.56 0.13 0.00 0.21 0.00 0.00 66.02 63.57 1rrk s SER 419 CO 0.42 -2.56 0.20 -0.54 0.41 0.00 0.00 173.24 171.17 1rrk s LYS 420 N -4.53 1.12 -0.07 12.44 1.02 -1.26 -4.58 119.74 123.88 1rrk s LYS 420 Ca 0.67 -1.76 0.04 0.00 0.02 0.00 0.00 55.97 54.93 1rrk s LYS 420 Cb -0.22 -2.20 0.00 0.00 -0.52 0.00 0.00 37.83 34.89 1rrk s LYS 420 CO 0.54 -1.13 -0.19 0.15 -0.92 0.00 0.00 175.35 173.80 1rrk s LYS 421 N 0.67 2.33 0.31 1.68 1.02 -1.26 -5.11 119.74 119.39 1rrk s LYS 421 Ca 0.16 -0.69 -0.28 0.00 0.02 0.00 0.00 55.97 55.19 1rrk s LYS 421 Cb -0.23 -1.87 -0.13 0.00 -0.52 0.00 0.00 37.83 35.08 1rrk s LYS 421 CO -0.04 0.17 1.05 -0.25 -0.92 0.00 0.00 175.35 175.36 1rrk n ASP 422 N 3.46 1.52 -0.79 2.83 10.43 -1.26 -1.73 116.55 131.02 1rrk n ASP 422 Ca -0.20 1.17 -0.10 0.00 2.57 0.00 0.00 54.79 58.23 1rrk n ASP 422 Cb 0.52 -1.33 -0.04 0.00 1.84 0.00 0.00 41.12 42.11 1rrk n ASP 422 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1rrk n ASN 423 N 1.07 -5.40 -4.21 -2.24 5.03 -1.26 -4.96 115.26 103.30 1rrk n ASN 423 Ca 0.09 0.25 -0.14 0.00 0.87 0.00 0.00 54.58 55.65 1rrk n ASN 423 Cb 0.34 -3.80 -0.10 0.00 -1.02 0.00 0.00 39.78 35.19 1rrk n ASN 423 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1rrk s GLU 424 N -2.76 0.93 -0.12 3.52 2.02 -0.71 -5.14 118.70 116.45 1rrk s GLU 424 Ca 0.00 -1.29 0.02 0.00 0.02 0.00 0.00 54.97 53.72 1rrk s GLU 424 Cb 0.00 -0.55 0.02 0.00 0.10 0.00 0.00 34.13 33.69 1rrk s GLU 424 CO 0.00 0.07 -0.16 -1.14 0.02 0.00 0.00 175.26 174.06 1rrk s GLN 425 N -3.25 2.33 0.00 1.61 2.00 -1.26 -4.66 119.66 116.42 1rrk s GLN 425 Ca 0.10 -0.59 0.05 0.00 -2.00 0.00 0.00 55.36 52.92 1rrk s GLN 425 Cb -0.00 -1.99 0.12 0.00 0.80 0.00 0.00 33.01 31.94 1rrk s GLN 425 CO -0.00 -0.09 1.04 0.72 -0.50 0.00 0.00 175.29 176.46 1rrk n HIS 426 N 4.28 0.17 -4.73 1.67 8.25 -1.26 -4.81 115.22 118.79 1rrk n HIS 426 Ca -0.19 -0.42 -0.27 0.00 -0.26 0.00 0.00 57.72 56.59 1rrk n HIS 426 Cb 0.51 -0.03 -0.17 0.00 1.12 0.00 0.00 29.99 31.42 1rrk n HIS 426 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1rrk s VAL 427 N -0.90 1.37 -0.03 1.59 1.01 -1.26 -1.17 120.40 121.01 1rrk s VAL 427 Ca 0.10 -0.61 -0.08 0.00 0.00 0.00 0.00 61.98 61.38 1rrk s VAL 427 Cb 0.05 -1.23 0.01 0.00 0.00 0.00 0.00 36.38 35.21 1rrk s VAL 427 CO 0.07 0.41 0.18 0.00 0.00 0.00 0.00 175.10 175.76 1rrk s LYS 429 N -0.77 4.51 0.50 0.00 3.01 -1.26 -0.40 119.74 125.33 1rrk s LYS 429 Ca -0.09 1.10 0.28 0.00 -1.01 0.00 0.00 55.97 56.25 1rrk s LYS 429 Cb -0.05 -3.36 1.37 0.00 -1.01 0.00 0.00 37.83 34.78 1rrk s LYS 429 CO 0.01 0.28 1.86 0.28 0.51 0.00 0.00 175.35 178.28 1rrk h VAL 430 N 4.12 0.55 0.00 3.17 2.07 -1.40 0.47 116.25 125.23 1rrk h VAL 430 Ca -0.44 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 1rrk h VAL 430 Cb 1.21 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1rrk h VAL 430 CO 0.71 0.02 -0.33 0.07 0.02 0.00 0.00 177.57 178.07 1rrk h LYS 431 N 0.13 0.00 -5.81 1.57 2.10 -1.92 -3.42 116.57 109.22 1rrk h LYS 431 Ca 0.48 0.00 -0.36 0.00 -2.00 0.00 0.00 60.65 58.76 1rrk h LYS 431 Cb 1.66 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.94 1rrk h LYS 431 CO -0.08 0.05 0.91 0.34 -2.00 0.00 0.00 179.45 178.68 1rrk s ASP 432 N -6.01 5.38 0.50 7.07 3.68 0.16 -4.79 116.67 122.65 1rrk s ASP 432 Ca 0.05 -0.69 0.25 0.00 2.13 0.00 0.00 52.55 54.29 1rrk s ASP 432 Cb 0.06 -2.56 1.32 0.00 -1.45 0.00 0.00 42.92 40.30 1rrk s ASP 432 CO 0.71 -2.51 2.03 0.24 0.13 0.00 0.00 175.17 175.77 1rrk h MET 433 N 11.39 0.00 -0.14 4.34 2.86 -1.83 -2.40 114.93 129.15 1rrk h MET 433 Ca 0.07 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.66 1rrk h MET 433 Cb 1.02 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.68 1rrk h MET 433 CO 1.25 0.15 -0.10 0.93 1.06 0.00 0.00 176.91 180.19 1rrk h GLU 434 N 0.00 0.32 0.37 1.72 3.07 -1.96 -2.24 114.58 115.86 1rrk h GLU 434 Ca -0.00 -0.15 -0.02 0.00 -0.50 0.00 0.00 59.36 58.69 1rrk h GLU 434 Cb 0.40 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.31 1rrk h GLU 434 CO 0.02 0.68 -0.18 0.00 -1.40 0.00 0.00 179.01 178.13 1rrk h LEU 436 N -0.59 0.36 -0.66 0.00 3.38 -1.50 -0.26 115.31 116.05 1rrk h LEU 436 Ca -0.05 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.05 1rrk h LEU 436 Cb 0.44 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 1rrk h LEU 436 CO 0.08 0.16 0.39 -0.08 0.09 0.00 0.00 178.44 179.09 1rrk h GLU 437 N 0.51 0.73 -0.51 1.13 4.81 -1.17 -2.05 114.58 118.03 1rrk h GLU 437 Ca 0.41 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.54 1rrk h GLU 437 Cb 0.57 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 1rrk h GLU 437 CO -0.36 0.48 0.10 -0.44 -0.73 0.00 0.00 179.01 178.06 1rrk h ASP 438 N 0.75 0.74 -0.34 1.04 3.45 -0.40 -2.93 116.42 118.74 1rrk h ASP 438 Ca 0.28 -0.14 0.06 0.00 0.43 0.00 0.00 57.03 57.66 1rrk h ASP 438 Cb 0.09 -0.19 -0.06 0.00 -0.56 0.00 0.00 39.33 38.61 1rrk h ASP 438 CO -0.14 0.75 -0.01 0.58 -1.57 0.00 0.00 179.24 178.85 1rrk h VAL 439 N 0.76 0.74 -0.44 -1.35 2.07 -0.54 -2.63 116.25 114.86 1rrk h VAL 439 Ca 0.16 -0.03 0.09 0.00 0.82 0.00 0.00 66.70 67.75 1rrk h VAL 439 Cb 0.32 0.65 -0.09 0.00 -1.52 0.00 0.00 31.29 30.65 1rrk h VAL 439 CO 0.00 0.02 -0.19 0.15 0.02 0.00 0.00 177.57 177.57 1rrk h PHE 440 N 0.08 -0.47 0.00 1.57 3.57 -1.31 -0.15 116.94 120.23 1rrk h PHE 440 Ca 0.16 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.71 1rrk h PHE 440 Cb 0.23 0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.24 1rrk h PHE 440 CO -0.25 -0.27 0.00 0.66 -2.23 0.00 0.00 178.31 176.22 1rrk n TYR 441 N -5.38 0.55 0.04 0.41 4.01 -1.02 -1.51 117.16 114.25 1rrk n TYR 441 Ca 0.03 0.23 -0.16 0.00 -0.16 0.00 0.00 57.90 57.84 1rrk n TYR 441 Cb 0.29 -0.88 -0.14 0.00 -0.31 0.00 0.00 39.34 38.30 1rrk n TYR 441 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1rrk h GLN 442 N 0.00 0.21 -0.04 -0.72 4.20 -0.78 -3.39 115.11 114.59 1rrk h GLN 442 Ca 0.00 -0.35 -0.02 0.00 0.06 0.00 0.00 58.65 58.33 1rrk h GLN 442 Cb 0.23 0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.14 1rrk h GLN 442 CO 0.00 1.03 -0.07 0.52 -0.67 0.00 0.00 178.83 179.64 1rrk h MET 443 N 0.06 0.12 -5.87 1.46 2.86 -0.27 -3.45 114.93 109.83 1rrk h MET 443 Ca -0.29 -0.07 -0.63 0.00 -2.06 0.00 0.00 59.70 56.65 1rrk h MET 443 Cb 2.02 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 33.63 1rrk h MET 443 CO 0.13 0.64 -0.33 0.42 1.06 0.00 0.00 176.91 178.83 1rrk s ILE 444 N -4.01 5.24 -0.51 -1.22 -1.09 -0.60 -5.05 121.20 113.95 1rrk s ILE 444 Ca -0.16 0.51 -0.23 0.00 -2.23 0.00 0.00 60.65 58.54 1rrk s ILE 444 Cb 0.02 -3.58 0.04 0.00 -1.58 0.00 0.00 42.46 37.36 1rrk s ILE 444 CO 0.70 0.55 0.85 -0.62 -1.23 0.00 0.00 174.94 175.20 1rrk s ASP 445 N -1.18 6.36 0.34 3.58 2.15 -1.26 -4.79 116.67 121.86 1rrk s ASP 445 Ca 0.22 -0.31 0.08 0.00 0.43 0.00 0.00 52.55 52.96 1rrk s ASP 445 Cb -0.14 -2.40 0.78 0.00 -0.30 0.00 0.00 42.92 40.86 1rrk s ASP 445 CO 0.11 -1.08 1.85 -0.33 -0.17 0.00 0.00 175.17 175.55 1rrk h GLU 446 N 9.15 0.71 -0.52 4.34 4.39 -1.97 -2.47 114.58 128.21 1rrk h GLU 446 Ca -0.26 -0.04 0.08 0.00 0.34 0.00 0.00 59.36 59.48 1rrk h GLU 446 Cb 1.08 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 29.54 1rrk h GLU 446 CO 1.03 0.47 0.35 0.66 -1.16 0.00 0.00 179.01 180.36 1rrk h SER 447 N 0.73 0.33 0.44 1.42 4.64 -2.02 -1.61 113.55 117.47 1rrk h SER 447 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 1rrk h SER 447 Cb 0.75 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1rrk h SER 447 CO -0.24 0.21 0.00 0.00 -0.87 0.00 0.00 176.83 175.93 1rrk n GLN 448 N -4.47 0.26 -0.00 4.77 1.13 -0.93 -3.33 117.38 114.82 1rrk n GLN 448 Ca 0.08 0.09 0.00 0.00 -1.94 0.00 0.00 57.00 55.23 1rrk n GLN 448 Cb 0.32 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.17 1rrk n GLN 448 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 1rrk n SER 449 N -1.31 1.98 0.27 1.08 7.64 -0.61 -4.74 113.62 117.94 1rrk n SER 449 Ca 0.09 -2.00 0.14 0.00 1.01 0.00 0.00 58.87 58.11 1rrk n SER 449 Cb 0.18 -0.00 0.75 0.00 -1.01 0.00 0.00 64.21 64.13 1rrk n SER 449 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1rrk h LEU 450 N 0.00 0.00 -0.51 -3.43 3.38 -1.55 -1.98 115.31 111.22 1rrk h LEU 450 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1rrk h LEU 450 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1rrk h LEU 450 CO 0.00 0.10 -0.13 -1.54 0.09 0.00 0.00 178.44 176.96 1rrk n SER 451 N -3.51 0.92 -4.71 -0.43 3.41 -1.26 -4.85 113.62 103.19 1rrk n SER 451 Ca -0.02 -0.96 -0.42 0.00 -0.26 0.00 0.00 58.87 57.22 1rrk n SER 451 Cb 0.24 0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.19 1rrk n SER 451 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1rrk s LEU 452 N -2.34 4.39 0.48 1.04 1.02 -0.75 -5.04 118.68 117.49 1rrk s LEU 452 Ca 0.31 1.73 -0.15 0.00 0.02 0.00 0.00 54.13 56.03 1rrk s LEU 452 Cb 0.20 -3.57 -0.07 0.00 0.02 0.00 0.00 46.19 42.76 1rrk s LEU 452 CO 0.45 -0.25 0.92 0.00 0.02 0.00 0.00 176.35 177.49 1rrk n GLY 454 N -1.47 0.75 3.87 0.00 0.00 -0.21 -4.65 105.19 103.48 1rrk n GLY 454 Ca 0.05 -0.42 -0.35 0.00 0.00 0.00 0.00 46.02 45.30 1rrk n GLY 454 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1rrk s MET 455 N -3.66 3.76 -0.01 1.61 1.00 -1.26 -1.23 119.30 119.51 1rrk s MET 455 Ca 0.00 0.18 0.01 0.00 0.00 0.00 0.00 55.69 55.88 1rrk s MET 455 Cb 0.00 -3.01 0.00 0.00 0.00 0.00 0.00 34.83 31.83 1rrk s MET 455 CO 0.00 0.57 -0.03 0.08 0.00 0.00 0.00 175.02 175.64 1rrk s VAL 456 N -1.38 0.25 -0.51 -6.03 1.01 -1.26 -4.81 120.40 107.66 1rrk s VAL 456 Ca 0.33 -0.09 -0.23 0.00 0.00 0.00 0.00 61.98 61.99 1rrk s VAL 456 Cb -0.14 -0.24 0.04 0.00 0.00 0.00 0.00 36.38 36.04 1rrk s VAL 456 CO 0.18 0.09 0.82 0.86 0.00 0.00 0.00 175.10 177.05 1rrk s TRP 457 N 0.18 2.91 -2.29 5.22 -0.00 -1.23 -4.92 118.94 118.81 1rrk s TRP 457 Ca -0.01 -0.06 0.28 0.00 -0.00 0.00 0.00 56.10 56.31 1rrk s TRP 457 Cb -0.04 -3.82 1.00 0.00 -0.00 0.00 0.00 33.47 30.62 1rrk s TRP 457 CO -0.00 -1.16 1.72 0.39 -0.00 0.00 0.00 176.95 177.89 1rrk n GLU 458 N 6.94 1.43 -1.37 5.86 1.02 -1.26 -4.40 120.64 128.86 1rrk n GLU 458 Ca 0.00 -0.81 -0.39 0.00 -0.02 0.00 0.00 57.16 55.94 1rrk n GLU 458 Cb 0.47 -1.48 0.02 0.00 -0.02 0.00 0.00 31.44 30.43 1rrk n GLU 458 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1rrk n HIS 459 N -0.08 -1.63 0.30 -0.32 -0.00 -1.26 -4.83 115.22 107.40 1rrk n HIS 459 Ca 0.17 0.48 0.16 0.00 0.46 0.00 0.00 57.72 59.00 1rrk n HIS 459 Cb 0.35 -1.84 0.94 0.00 -0.12 0.00 0.00 29.99 29.32 1rrk n HIS 459 CO 0.00 0.00 0.00 0.07 0.46 0.00 0.00 176.34 176.87 1rrk h ARG 460 N 0.23 0.00 -0.00 1.57 0.11 -1.99 -1.30 114.38 112.99 1rrk h ARG 460 Ca -0.42 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.66 1rrk h ARG 460 Cb 1.42 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.50 1rrk h ARG 460 CO 0.46 0.02 -0.12 1.63 0.10 0.00 0.00 179.97 182.06 1rrk n LYS 461 N -3.66 0.31 -1.83 0.08 5.02 -1.26 -4.92 118.16 111.89 1rrk n LYS 461 Ca -0.03 -0.08 -0.36 0.00 -2.02 0.00 0.00 58.31 55.83 1rrk n LYS 461 Cb 0.11 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 33.67 1rrk n LYS 461 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1rrk s GLY 462 N -2.75 2.67 0.32 0.72 0.00 -0.49 -5.05 107.32 102.74 1rrk s GLY 462 Ca 0.21 1.01 0.04 0.00 0.00 0.00 0.00 44.72 45.99 1rrk s GLY 462 CO 0.53 1.41 0.45 -1.30 0.00 0.00 0.00 173.10 174.19 1rrk n THR 463 N -1.92 0.00 0.11 0.90 -2.24 -1.26 -4.92 114.28 104.94 1rrk n THR 463 Ca 0.14 -1.02 0.04 0.00 -2.27 0.00 0.00 64.05 60.95 1rrk n THR 463 Cb 0.49 -0.79 0.46 0.00 -2.10 0.00 0.00 70.33 68.40 1rrk n THR 463 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1rrk h ASP 464 N 0.00 0.27 0.75 3.42 3.45 -1.96 -1.46 116.42 120.89 1rrk h ASP 464 Ca -0.15 -0.02 -0.12 0.00 0.43 0.00 0.00 57.03 57.17 1rrk h ASP 464 Cb 0.67 -0.07 -0.02 0.00 -0.56 0.00 0.00 39.33 39.36 1rrk h ASP 464 CO 0.21 0.27 -0.57 1.88 -1.57 0.00 0.00 179.24 179.46 1rrk h TYR 465 N 0.30 0.00 -0.03 4.55 -1.99 -1.93 -1.69 116.97 116.18 1rrk h TYR 465 Ca 0.08 0.00 -0.25 0.00 2.00 0.00 0.00 58.73 60.55 1rrk h TYR 465 Cb 0.11 0.00 0.02 0.00 2.00 0.00 0.00 36.73 38.86 1rrk h TYR 465 CO 0.00 0.57 -0.98 0.45 -0.00 0.00 0.00 178.16 178.20 1rrk h HIS 466 N 0.00 1.01 0.00 4.88 3.86 -1.51 -2.63 115.15 120.75 1rrk h HIS 466 Ca -0.01 -0.53 0.00 0.00 -1.16 0.00 0.00 60.37 58.68 1rrk h HIS 466 Cb 1.10 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 29.44 1rrk h HIS 466 CO 0.00 1.36 0.00 0.87 0.86 0.00 0.00 177.93 181.02 1rrk h LYS 467 N 0.41 0.00 -1.99 2.45 1.57 -1.21 -3.28 116.57 114.52 1rrk h LYS 467 Ca -0.11 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.17 1rrk h LYS 467 Cb 1.63 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.54 1rrk h LYS 467 CO 0.19 0.00 -1.18 1.04 -0.57 0.00 0.00 179.45 178.93 1rrk n GLN 468 N -2.85 0.91 0.21 3.15 3.00 -0.65 -4.97 117.38 116.18 1rrk n GLN 468 Ca 0.04 -3.34 0.15 0.00 -0.01 0.00 0.00 57.00 53.84 1rrk n GLN 468 Cb 0.44 -1.60 0.79 0.00 0.00 0.00 0.00 30.24 29.88 1rrk n GLN 468 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.06 175.71 1rrk h PRO 469 N 3.22 0.00 0.00 -1.09 0.11 -1.60 -2.24 132.00 130.40 1rrk h PRO 469 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1rrk h PRO 469 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1rrk h PRO 469 CO 0.49 0.00 -0.28 0.11 -0.21 0.00 0.00 178.00 178.11 1rrk h TRP 470 N 0.00 0.00 -2.77 0.65 0.09 -1.83 -2.68 115.95 109.42 1rrk h TRP 470 Ca 0.07 0.00 -0.52 0.00 0.09 0.00 0.00 58.89 58.53 1rrk h TRP 470 Cb 0.35 0.00 0.06 0.00 0.08 0.00 0.00 29.16 29.65 1rrk h TRP 470 CO 0.00 0.00 0.99 -1.14 0.09 0.00 0.00 178.44 178.38 1rrk s GLN 471 N -3.19 4.13 -0.03 0.12 2.00 -0.85 -0.39 119.66 121.46 1rrk s GLN 471 Ca 0.07 2.59 0.04 0.00 -2.00 0.00 0.00 55.36 56.05 1rrk s GLN 471 Cb 0.10 -3.07 -0.00 0.00 0.80 0.00 0.00 33.01 30.83 1rrk s GLN 471 CO 0.68 -0.73 -0.14 0.00 -0.50 0.00 0.00 175.29 174.60 1rrk s ALA 472 N 1.02 1.22 -0.16 1.58 0.00 -0.54 -4.44 121.76 120.43 1rrk s ALA 472 Ca 0.73 -0.55 -0.06 0.00 0.00 0.00 0.00 51.96 52.07 1rrk s ALA 472 Cb -0.49 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.20 1rrk s ALA 472 CO 0.34 0.24 0.06 0.21 0.00 0.00 0.00 175.76 176.61 1rrk s LYS 473 N -0.02 3.77 -0.10 0.00 2.20 0.18 -0.84 119.74 124.94 1rrk s LYS 473 Ca -0.01 -0.33 0.03 0.00 -0.36 0.00 0.00 55.97 55.29 1rrk s LYS 473 Cb -0.09 -3.14 -0.01 0.00 -1.51 0.00 0.00 37.83 33.08 1rrk s LYS 473 CO 0.01 0.39 -0.18 0.42 -0.36 0.00 0.00 175.35 175.63 1rrk s ILE 474 N 0.04 2.64 -0.07 5.43 1.01 0.89 -0.06 121.20 131.07 1rrk s ILE 474 Ca 0.06 -0.83 0.06 0.00 0.00 0.00 0.00 60.65 59.93 1rrk s ILE 474 Cb -0.12 -2.05 -0.01 0.00 0.01 0.00 0.00 42.46 40.29 1rrk s ILE 474 CO 0.01 0.55 -0.25 -0.44 0.00 0.00 0.00 174.94 174.81 1rrk s SER 475 N 0.08 3.07 -0.20 3.58 0.01 0.88 -1.28 113.70 119.85 1rrk s SER 475 Ca -0.08 -0.52 0.01 0.00 1.31 0.00 0.00 55.95 56.66 1rrk s SER 475 Cb -0.15 -1.00 0.04 0.00 0.21 0.00 0.00 66.02 65.12 1rrk s SER 475 CO 0.05 0.22 -0.09 -0.69 0.41 0.00 0.00 173.24 173.15 1rrk s VAL 476 N -0.02 1.52 -0.23 3.43 1.01 -0.54 -0.75 120.40 124.82 1rrk s VAL 476 Ca -0.08 -0.96 -0.16 0.00 0.00 0.00 0.00 61.98 60.78 1rrk s VAL 476 Cb -0.15 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 1rrk s VAL 476 CO 0.05 0.13 0.41 -0.51 0.00 0.00 0.00 175.10 175.18 1rrk s ILE 477 N 1.44 5.17 0.00 2.22 2.07 -0.42 -0.17 121.20 131.52 1rrk s ILE 477 Ca -0.01 0.69 0.00 0.00 -1.41 0.00 0.00 60.65 59.92 1rrk s ILE 477 Cb -0.16 -3.73 0.00 0.00 0.13 0.00 0.00 42.46 38.69 1rrk s ILE 477 CO -0.08 0.20 0.00 0.54 -1.91 0.00 0.00 174.94 173.69 1rrk n ARG 478 N 4.86 1.27 -1.07 3.50 1.74 -1.26 -4.87 116.66 120.83 1rrk n ARG 478 Ca -0.08 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.04 1rrk n ARG 478 Cb 0.51 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.93 1rrk n ARG 478 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1rrk n LYS 481 N 0.00 -1.56 -1.30 5.56 2.85 -1.26 -4.97 118.16 117.48 1rrk n LYS 481 Ca 0.00 1.25 -0.32 0.00 -1.05 0.00 0.00 58.31 58.19 1rrk n LYS 481 Cb 0.00 -1.96 0.09 0.00 -0.65 0.00 0.00 35.03 32.51 1rrk n LYS 481 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1rrk s GLY 482 N -5.32 1.89 0.32 2.58 0.00 -1.26 -5.02 107.32 100.52 1rrk s GLY 482 Ca 0.00 0.49 -0.16 0.00 0.00 0.00 0.00 44.72 45.05 1rrk s GLY 482 CO 0.00 0.86 0.75 0.30 0.00 0.00 0.00 173.10 175.01 1rrk s HIS 483 N -2.58 3.40 0.01 1.90 0.09 -1.26 -4.94 115.29 111.90 1rrk s HIS 483 Ca 0.66 1.27 -0.00 0.00 -0.00 0.00 0.00 55.06 56.98 1rrk s HIS 483 Cb -0.21 -2.57 -0.04 0.00 -0.00 0.00 0.00 32.58 29.77 1rrk s HIS 483 CO 0.51 0.10 0.09 -2.00 -0.00 0.00 0.00 174.74 173.44 1rrk s GLU 484 N -2.89 3.07 -0.09 1.40 2.56 0.76 -4.97 118.70 118.53 1rrk s GLU 484 Ca 0.54 -0.50 -0.01 0.00 0.00 0.00 0.00 54.97 54.99 1rrk s GLU 484 Cb -0.11 -2.86 0.03 0.00 2.00 0.00 0.00 34.13 33.20 1rrk s GLU 484 CO 0.17 0.64 -0.00 0.45 -0.56 0.00 0.00 175.26 175.96 1rrk s SER 485 N -1.82 1.86 0.23 -1.70 0.15 -1.26 -1.47 113.70 109.69 1rrk s SER 485 Ca 0.24 -0.22 0.02 0.00 0.70 0.00 0.00 55.95 56.68 1rrk s SER 485 Cb -0.12 -0.52 -0.05 0.00 -1.71 0.00 0.00 66.02 63.62 1rrk s SER 485 CO 0.15 -0.20 0.06 0.00 1.20 0.00 0.00 173.24 174.45 1rrk s MET 487 N -3.98 1.97 0.31 0.00 -1.94 -0.48 -0.08 119.30 115.10 1rrk s MET 487 Ca 0.33 -1.66 -0.08 0.00 -1.71 0.00 0.00 55.69 52.57 1rrk s MET 487 Cb 0.07 -1.92 0.03 0.00 2.01 0.00 0.00 34.83 35.02 1rrk s MET 487 CO 0.10 0.29 0.56 0.41 -0.01 0.00 0.00 175.02 176.38 1rrk n GLY 488 N -0.78 1.58 2.91 -0.03 0.00 -0.02 -2.74 105.19 106.11 1rrk n GLY 488 Ca -0.05 -1.35 -0.16 0.00 0.00 0.00 0.00 46.02 44.45 1rrk n GLY 488 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rrk s ALA 489 N -2.16 0.38 0.00 4.61 0.00 -0.26 -1.47 121.76 122.86 1rrk s ALA 489 Ca 0.17 -0.09 -0.30 0.00 0.00 0.00 0.00 51.96 51.74 1rrk s ALA 489 Cb -0.03 -0.17 -0.05 0.00 0.00 0.00 0.00 23.12 22.87 1rrk s ALA 489 CO 0.13 0.05 1.37 0.08 0.00 0.00 0.00 175.76 177.38 1rrk s VAL 490 N 0.23 3.76 -0.20 0.00 1.01 0.48 -0.55 120.40 125.14 1rrk s VAL 490 Ca -0.02 1.16 0.05 0.00 0.00 0.00 0.00 61.98 63.17 1rrk s VAL 490 Cb -0.05 -3.74 -0.07 0.00 0.00 0.00 0.00 36.38 32.52 1rrk s VAL 490 CO -0.00 0.01 0.20 1.33 0.00 0.00 0.00 175.10 176.64 1rrk n VAL 491 N 4.58 0.00 -3.83 2.92 0.24 -0.49 -1.40 118.33 120.34 1rrk n VAL 491 Ca 0.13 -0.31 -0.05 0.00 -2.04 0.00 0.00 64.34 62.06 1rrk n VAL 491 Cb 0.44 0.85 0.01 0.00 -1.47 0.00 0.00 33.84 33.67 1rrk n VAL 491 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1rrk s SER 492 N -1.79 -0.07 0.53 -1.34 1.04 -1.19 -4.77 113.70 106.11 1rrk s SER 492 Ca 0.01 -0.76 0.20 0.00 0.48 0.00 0.00 55.95 55.88 1rrk s SER 492 Cb 0.04 0.64 1.37 0.00 0.10 0.00 0.00 66.02 68.17 1rrk s SER 492 CO 0.23 -1.24 2.15 -0.33 0.98 0.00 0.00 173.24 175.02 1rrk h GLU 493 N 2.00 0.00 0.00 4.02 5.08 -1.90 -3.09 114.58 120.69 1rrk h GLU 493 Ca -0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1rrk h GLU 493 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1rrk h GLU 493 CO 0.33 0.04 -1.36 0.66 -1.00 0.00 0.00 179.01 177.68 1rrk n TYR 494 N -4.29 0.00 -4.77 4.33 0.53 -1.26 -0.77 117.16 110.93 1rrk n TYR 494 Ca -0.03 0.00 -0.31 0.00 -1.02 0.00 0.00 57.90 56.54 1rrk n TYR 494 Cb 0.12 -0.23 -0.13 0.00 -1.03 0.00 0.00 39.34 38.07 1rrk n TYR 494 CO 0.00 0.00 0.00 -0.06 -1.02 0.00 0.00 176.86 175.78 1rrk s PHE 495 N -2.78 2.55 -0.12 -0.72 0.40 -1.17 -0.43 117.98 115.71 1rrk s PHE 495 Ca -0.02 -0.27 0.02 0.00 -0.60 0.00 0.00 56.93 56.06 1rrk s PHE 495 Cb 0.09 -1.49 0.01 0.00 0.51 0.00 0.00 43.02 42.15 1rrk s PHE 495 CO 0.57 0.21 -0.17 0.08 0.70 0.00 0.00 175.22 176.62 1rrk s VAL 496 N -0.86 1.62 -0.09 -0.44 1.01 -0.66 -1.40 120.40 119.59 1rrk s VAL 496 Ca 0.14 -0.72 -0.15 0.00 0.00 0.00 0.00 61.98 61.25 1rrk s VAL 496 Cb -0.10 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.76 1rrk s VAL 496 CO 0.04 0.47 0.37 -0.22 0.00 0.00 0.00 175.10 175.75 1rrk s LEU 497 N 0.94 4.34 0.00 3.92 2.96 0.29 -0.63 118.68 130.50 1rrk s LEU 497 Ca -0.07 0.74 0.00 0.00 -0.22 0.00 0.00 54.13 54.58 1rrk s LEU 497 Cb -0.15 -2.51 0.00 0.00 0.50 0.00 0.00 46.19 44.03 1rrk s LEU 497 CO -0.02 0.17 0.00 1.07 -1.32 0.00 0.00 176.35 176.26 1rrk n THR 498 N 2.89 0.00 -3.46 3.68 5.66 -0.50 -1.10 114.28 121.45 1rrk n THR 498 Ca -0.12 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.54 1rrk n THR 498 Cb 0.52 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.25 1rrk n THR 498 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1rrk s ALA 499 N -1.39 3.64 0.20 1.79 0.00 -1.26 -1.05 121.76 123.69 1rrk s ALA 499 Ca 0.00 -0.27 -0.07 0.00 0.00 0.00 0.00 51.96 51.62 1rrk s ALA 499 Cb 0.00 -2.40 0.13 0.00 0.00 0.00 0.00 23.12 20.85 1rrk s ALA 499 CO 0.00 0.52 1.65 0.00 0.00 0.00 0.00 175.76 177.93 1rrk h ALA 500 N 3.33 0.87 0.00 0.00 0.00 -1.70 -3.04 119.26 118.73 1rrk h ALA 500 Ca -0.48 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.11 1rrk h ALA 500 Cb 1.19 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1rrk h ALA 500 CO 0.67 0.65 0.00 -2.39 0.00 0.00 0.00 179.25 178.18 1rrk n HIS 501 N -4.17 0.00 0.33 0.00 1.44 -1.26 -1.30 115.22 110.26 1rrk n HIS 501 Ca 0.02 0.00 0.15 0.00 -2.01 0.00 0.00 57.72 55.88 1rrk n HIS 501 Cb 0.37 -0.47 0.61 0.00 0.12 0.00 0.00 29.99 30.61 1rrk n HIS 501 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1rrk s PHE 503 N -3.53 1.77 0.12 0.00 0.40 -0.42 -4.98 117.98 111.34 1rrk s PHE 503 Ca 0.02 -0.92 0.02 0.00 -0.60 0.00 0.00 56.93 55.45 1rrk s PHE 503 Cb 0.09 -1.08 -0.04 0.00 0.51 0.00 0.00 43.02 42.50 1rrk s PHE 503 CO 0.48 0.00 -0.06 -0.08 0.70 0.00 0.00 175.22 176.27 1rrk s THR 504 N -3.34 0.80 0.31 0.64 -1.32 -1.26 -5.00 115.64 106.47 1rrk s THR 504 Ca 0.32 -1.97 0.37 0.00 -1.21 0.00 0.00 61.69 59.20 1rrk s THR 504 Cb 0.07 -1.80 0.39 0.00 -1.51 0.00 0.00 72.50 69.65 1rrk s THR 504 CO 0.12 -0.77 2.13 1.62 -2.21 0.00 0.00 174.62 175.51 1rrk h VAL 505 N 2.87 0.00 0.00 5.08 3.04 -2.02 -1.92 116.25 123.31 1rrk h VAL 505 Ca -0.36 -0.19 0.00 0.00 -1.01 0.00 0.00 66.70 65.14 1rrk h VAL 505 Cb 1.18 1.12 0.00 0.00 -2.01 0.00 0.00 31.29 31.58 1rrk h VAL 505 CO 0.64 0.00 -0.22 0.44 -1.01 0.00 0.00 177.57 177.42 1rrk h ASP 506 N 0.00 0.00 -3.01 3.17 3.45 -2.05 -3.45 116.42 114.53 1rrk h ASP 506 Ca 0.00 -0.00 -0.53 0.00 0.43 0.00 0.00 57.03 56.93 1rrk h ASP 506 Cb 0.20 0.00 0.02 0.00 -0.56 0.00 0.00 39.33 38.99 1rrk h ASP 506 CO 0.00 0.00 0.72 -1.81 -1.57 0.00 0.00 179.24 176.59 1rrk s ASP 507 N -5.97 6.85 0.12 6.45 1.01 -0.72 -5.00 116.67 119.41 1rrk s ASP 507 Ca 0.05 2.26 -0.12 0.00 0.71 0.00 0.00 52.55 55.46 1rrk s ASP 507 Cb 0.06 -2.58 -0.06 0.00 1.01 0.00 0.00 42.92 41.35 1rrk s ASP 507 CO 0.69 -0.64 0.48 -0.54 0.21 0.00 0.00 175.17 175.37 1rrk s LYS 508 N 1.30 3.87 0.25 8.23 -0.14 -1.26 -4.91 119.74 127.07 1rrk s LYS 508 Ca 0.64 0.33 -0.12 0.00 -1.36 0.00 0.00 55.97 55.46 1rrk s LYS 508 Cb -0.35 -2.94 0.35 0.00 -1.68 0.00 0.00 37.83 33.20 1rrk s LYS 508 CO 0.30 0.50 1.57 0.93 -0.76 0.00 0.00 175.35 177.89 1rrk h GLU 509 N 3.56 -0.01 0.00 1.68 3.07 -1.94 0.27 114.58 121.21 1rrk h GLU 509 Ca -0.49 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.37 1rrk h GLU 509 Cb 1.19 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.10 1rrk h GLU 509 CO 0.66 -0.01 0.00 -2.39 -1.40 0.00 0.00 179.01 175.88 1rrk n HIS 510 N -5.55 0.30 1.32 4.33 1.44 -1.26 -1.43 115.22 114.38 1rrk n HIS 510 Ca 0.13 0.14 0.13 0.00 -2.01 0.00 0.00 57.72 56.11 1rrk n HIS 510 Cb 0.44 -0.72 0.40 0.00 0.12 0.00 0.00 29.99 30.23 1rrk n HIS 510 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 1rrk n SER 511 N -1.79 1.41 -4.39 4.39 3.41 0.96 -4.82 113.62 112.79 1rrk n SER 511 Ca 0.01 -1.25 -0.35 0.00 -0.26 0.00 0.00 58.87 57.02 1rrk n SER 511 Cb 0.09 0.09 -0.13 0.00 -0.26 0.00 0.00 64.21 64.00 1rrk n SER 511 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1rrk s ILE 512 N -2.26 3.65 0.03 -1.33 1.01 -0.51 -1.30 121.20 120.49 1rrk s ILE 512 Ca 0.30 -0.41 0.06 0.00 0.00 0.00 0.00 60.65 60.60 1rrk s ILE 512 Cb 0.20 -2.64 -0.02 0.00 0.01 0.00 0.00 42.46 40.00 1rrk s ILE 512 CO 0.43 0.43 -0.18 -0.54 0.00 0.00 0.00 174.94 175.08 1rrk s LYS 513 N 1.14 1.23 -0.01 2.79 -0.14 0.07 -4.36 119.74 120.46 1rrk s LYS 513 Ca 0.02 -0.84 0.08 0.00 -1.36 0.00 0.00 55.97 53.87 1rrk s LYS 513 Cb -0.15 -1.29 -0.02 0.00 -1.68 0.00 0.00 37.83 34.69 1rrk s LYS 513 CO 0.00 0.33 -0.24 0.08 -0.76 0.00 0.00 175.35 174.76 1rrk s VAL 514 N -0.76 2.20 -0.08 3.17 1.01 -0.84 -0.08 120.40 125.02 1rrk s VAL 514 Ca 0.05 -1.11 0.03 0.00 0.00 0.00 0.00 61.98 60.95 1rrk s VAL 514 Cb -0.08 -1.79 0.01 0.00 0.00 0.00 0.00 36.38 34.52 1rrk s VAL 514 CO 0.01 0.54 -0.17 -0.55 0.00 0.00 0.00 175.10 174.94 1rrk s SER 515 N -0.74 2.29 0.12 3.32 0.15 0.91 0.56 113.70 120.30 1rrk s SER 515 Ca 0.11 -0.40 -0.03 0.00 0.70 0.00 0.00 55.95 56.33 1rrk s SER 515 Cb -0.10 -1.05 -0.03 0.00 -1.71 0.00 0.00 66.02 63.13 1rrk s SER 515 CO -0.00 0.08 0.10 0.68 1.20 0.00 0.00 173.24 175.29 1rrk s VAL 516 N 0.56 0.11 -0.41 4.45 -7.23 -1.26 -0.65 120.40 115.98 1rrk s VAL 516 Ca -0.16 -1.76 0.00 0.00 -1.81 0.00 0.00 61.98 58.25 1rrk s VAL 516 Cb -0.17 -1.90 0.00 0.00 0.56 0.00 0.00 36.38 34.88 1rrk s VAL 516 CO 0.05 -0.52 0.00 0.61 -0.31 0.00 0.00 175.10 174.94 1rrk n GLY 517 N -0.09 0.37 2.17 2.32 0.00 -1.23 -2.25 105.19 106.47 1rrk n GLY 517 Ca -0.07 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.92 1rrk n GLY 517 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rrk n GLY 518 N 0.73 0.57 3.80 -0.02 0.00 -1.26 -4.88 105.19 104.12 1rrk n GLY 518 Ca -0.04 -0.45 -0.34 0.00 0.00 0.00 0.00 46.02 45.19 1rrk n GLY 518 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rrk s GLU 519 N -1.44 3.94 0.13 1.61 2.02 -0.95 -4.97 118.70 119.04 1rrk s GLU 519 Ca 0.00 1.35 -0.08 0.00 0.02 0.00 0.00 54.97 56.26 1rrk s GLU 519 Cb 0.00 -2.20 -0.08 0.00 0.10 0.00 0.00 34.13 31.96 1rrk s GLU 519 CO 0.00 -0.31 1.35 -0.22 0.02 0.00 0.00 175.26 176.11 1rrk h LYS 520 N 1.81 0.65 -7.32 1.61 3.64 -1.95 -3.45 116.57 111.56 1rrk h LYS 520 Ca -0.49 -0.53 -0.49 0.00 -1.27 0.00 0.00 60.65 57.86 1rrk h LYS 520 Cb 1.21 0.11 0.15 0.00 -0.41 0.00 0.00 32.23 33.29 1rrk h LYS 520 CO 0.60 1.15 0.25 -0.98 -2.27 0.00 0.00 179.45 178.20 1rrk s ARG 521 N -3.69 1.38 0.26 1.90 1.70 -1.26 -5.07 118.95 114.17 1rrk s ARG 521 Ca -0.09 0.96 0.08 0.00 -0.47 0.00 0.00 55.73 56.21 1rrk s ARG 521 Cb 0.09 -1.81 -0.04 0.00 -0.57 0.00 0.00 34.95 32.62 1rrk s ARG 521 CO 0.88 -2.20 0.16 -0.51 -1.08 0.00 0.00 175.30 172.56 1rrk s ASP 522 N -3.31 5.30 -0.06 -2.89 1.01 -1.26 -4.75 116.67 110.70 1rrk s ASP 522 Ca 0.63 -0.35 0.02 0.00 0.71 0.00 0.00 52.55 53.56 1rrk s ASP 522 Cb -0.18 -1.26 -0.03 0.00 1.01 0.00 0.00 42.92 42.46 1rrk s ASP 522 CO 0.57 -0.06 -0.10 -0.76 0.21 0.00 0.00 175.17 175.03 1rrk s LEU 523 N -3.82 2.97 0.23 1.23 1.43 0.19 -4.92 118.68 115.99 1rrk s LEU 523 Ca 0.33 -0.10 -0.16 0.00 -1.03 0.00 0.00 54.13 53.17 1rrk s LEU 523 Cb -0.07 -1.63 -0.08 0.00 0.03 0.00 0.00 46.19 44.44 1rrk s LEU 523 CO 0.24 0.35 0.67 -1.61 0.23 0.00 0.00 176.35 176.23 1rrk s GLU 524 N -0.75 4.08 0.20 1.70 2.02 -1.26 -1.98 118.70 122.71 1rrk s GLU 524 Ca 0.11 0.66 0.06 0.00 0.02 0.00 0.00 54.97 55.83 1rrk s GLU 524 Cb -0.11 -2.76 -0.04 0.00 0.10 0.00 0.00 34.13 31.33 1rrk s GLU 524 CO 0.01 0.35 0.13 0.96 0.02 0.00 0.00 175.26 176.73 1rrk s ILE 525 N -1.65 4.29 -0.20 -1.63 -4.36 -1.26 -1.30 121.20 115.09 1rrk s ILE 525 Ca 0.45 -1.29 -0.22 0.00 -0.26 0.00 0.00 60.65 59.33 1rrk s ILE 525 Cb -0.14 -3.24 -0.20 0.00 1.25 0.00 0.00 42.46 40.14 1rrk s ILE 525 CO 0.20 -0.20 0.25 -0.08 0.24 0.00 0.00 174.94 175.35 1rrk h GLU 526 N 2.12 0.00 -2.60 0.37 4.81 -0.71 -3.41 114.58 115.17 1rrk h GLU 526 Ca -0.48 -0.01 0.10 0.00 -0.13 0.00 0.00 59.36 58.84 1rrk h GLU 526 Cb 1.22 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 30.50 1rrk h GLU 526 CO 0.61 1.00 0.38 0.54 -0.73 0.00 0.00 179.01 180.82 1rrk s VAL 527 N -2.36 0.00 -0.18 0.32 0.11 -1.17 -4.98 120.40 112.15 1rrk s VAL 527 Ca -0.28 -0.41 -0.02 0.00 -2.93 0.00 0.00 61.98 58.33 1rrk s VAL 527 Cb 0.05 -1.52 -0.01 0.00 -1.53 0.00 0.00 36.38 33.37 1rrk s VAL 527 CO 0.60 0.00 -0.08 -0.69 -3.33 0.00 0.00 175.10 171.60 1rrk s VAL 528 N -3.47 3.24 -0.47 2.04 1.01 -1.26 -1.30 120.40 120.18 1rrk s VAL 528 Ca 0.08 -0.56 -0.13 0.00 0.00 0.00 0.00 61.98 61.37 1rrk s VAL 528 Cb -0.02 -2.43 0.10 0.00 0.00 0.00 0.00 36.38 34.03 1rrk s VAL 528 CO -0.03 0.47 0.37 -0.76 0.00 0.00 0.00 175.10 175.15 1rrk s LEU 529 N 1.00 5.64 0.38 3.92 1.43 0.12 -4.95 118.68 126.22 1rrk s LEU 529 Ca -0.01 -1.60 -0.23 0.00 -1.03 0.00 0.00 54.13 51.26 1rrk s LEU 529 Cb -0.15 -2.10 -0.10 0.00 0.03 0.00 0.00 46.19 43.87 1rrk s LEU 529 CO -0.00 -0.67 0.94 -0.36 0.23 0.00 0.00 176.35 176.48 1rrk s PHE 530 N 1.52 3.49 0.22 0.29 0.40 -1.26 -0.59 117.98 122.05 1rrk s PHE 530 Ca 0.04 1.69 -0.31 0.00 -0.60 0.00 0.00 56.93 57.75 1rrk s PHE 530 Cb -0.26 -2.88 -0.11 0.00 0.51 0.00 0.00 43.02 40.29 1rrk s PHE 530 CO 0.03 0.05 1.57 -1.58 0.70 0.00 0.00 175.22 175.98 1rrk s HIS 531 N -1.91 2.95 0.55 0.36 5.65 -0.87 -4.85 115.29 117.17 1rrk s HIS 531 Ca 0.56 0.72 0.26 0.00 0.25 0.00 0.00 55.06 56.85 1rrk s HIS 531 Cb -0.14 -3.97 1.46 0.00 -1.18 0.00 0.00 32.58 28.75 1rrk s HIS 531 CO 0.18 -3.42 2.02 -1.00 -0.65 0.00 0.00 174.74 171.87 1rrk h PRO 532 N 5.89 0.00 -0.00 2.88 0.13 -1.93 -1.92 132.00 137.04 1rrk h PRO 532 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1rrk h PRO 532 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1rrk h PRO 532 CO 0.86 0.00 -0.18 0.09 -0.23 0.00 0.00 178.00 178.53 1rrk n ASN 533 N -4.18 0.65 -4.72 1.44 4.13 -1.26 -4.88 115.26 106.44 1rrk n ASN 533 Ca 0.07 -0.62 -0.42 0.00 1.68 0.00 0.00 54.58 55.29 1rrk n ASN 533 Cb 0.51 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.72 1rrk n ASN 533 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1rrk s TYR 534 N -2.54 3.38 -0.32 3.10 5.04 -0.72 -4.84 117.35 120.44 1rrk s TYR 534 Ca 0.25 1.20 0.06 0.00 -2.44 0.00 0.00 57.07 56.14 1rrk s TYR 534 Cb 0.20 -3.50 0.19 0.00 0.35 0.00 0.00 41.96 39.19 1rrk s TYR 534 CO 0.51 -1.60 0.56 1.21 -1.34 0.00 0.00 175.55 174.88 1rrk s ASN 535 N 1.01 -1.18 0.51 4.32 3.84 -1.26 -4.98 114.94 117.19 1rrk s ASN 535 Ca 0.60 -0.16 0.34 0.00 0.21 0.00 0.00 52.86 53.85 1rrk s ASN 535 Cb -0.32 1.82 1.71 0.00 -0.55 0.00 0.00 41.25 43.91 1rrk s ASN 535 CO 0.30 -0.28 2.03 -0.29 -2.79 0.00 0.00 177.10 176.07 1rrk h ILE 536 N 5.79 0.00 -0.33 -5.21 2.10 -1.94 -2.22 117.51 115.70 1rrk h ILE 536 Ca -0.01 -0.15 0.00 0.00 1.08 0.00 0.00 64.86 65.78 1rrk h ILE 536 Cb 1.17 0.99 0.00 0.00 -1.09 0.00 0.00 36.82 37.89 1rrk h ILE 536 CO 0.16 0.00 0.00 0.59 -1.08 0.00 0.00 178.15 177.82 1rrk n ASN 537 N -2.78 3.44 0.11 2.19 3.02 -1.26 -0.66 115.26 119.32 1rrk n ASN 537 Ca -0.01 -2.44 0.12 0.00 -0.03 0.00 0.00 54.58 52.22 1rrk n ASN 537 Cb 0.14 -0.38 0.46 0.00 -0.61 0.00 0.00 39.78 39.38 1rrk n ASN 537 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1rrk n GLY 538 N 0.14 -1.41 0.36 7.41 0.00 -0.84 -3.83 105.19 107.02 1rrk n GLY 538 Ca 0.16 0.03 0.06 0.00 0.00 0.00 0.00 46.02 46.28 1rrk n GLY 538 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rrk n LYS 539 N -2.16 0.87 -0.36 1.61 4.76 -1.26 -4.81 118.16 116.80 1rrk n LYS 539 Ca 0.04 -2.18 0.07 0.00 -2.87 0.00 0.00 58.31 53.36 1rrk n LYS 539 Cb 0.29 -1.13 0.24 0.00 -1.84 0.00 0.00 35.03 32.60 1rrk n LYS 539 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 1rrk h LYS 540 N 0.20 0.98 -0.44 1.97 1.57 -1.60 -0.42 116.57 118.83 1rrk h LYS 540 Ca -0.02 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1rrk h LYS 540 Cb 1.18 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 33.24 1rrk h LYS 540 CO 0.01 0.65 0.29 1.49 -0.57 0.00 0.00 179.45 181.32 1rrk h GLU 541 N 1.01 0.49 -0.14 3.15 4.81 -1.87 0.90 114.58 122.91 1rrk h GLU 541 Ca 0.49 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.69 1rrk h GLU 541 Cb 0.47 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.74 1rrk h GLU 541 CO -0.26 0.32 0.00 0.00 -0.73 0.00 0.00 179.01 178.34 1rrk n ALA 542 N -2.49 2.49 -1.60 2.92 0.00 -0.24 -4.86 120.51 116.74 1rrk n ALA 542 Ca 0.04 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1rrk n ALA 542 Cb 0.13 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1rrk n ALA 542 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rrk n GLY 543 N 0.79 0.56 2.98 0.00 0.00 0.31 -3.78 105.19 106.04 1rrk n GLY 543 Ca 0.07 -0.81 -0.31 0.00 0.00 0.00 0.00 46.02 44.98 1rrk n GLY 543 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rrk s ILE 544 N -2.00 2.54 0.18 -0.61 1.01 -0.78 -4.18 121.20 117.35 1rrk s ILE 544 Ca 0.00 -3.01 -0.13 0.00 0.00 0.00 0.00 60.65 57.51 1rrk s ILE 544 Cb 0.00 -2.79 0.10 0.00 0.01 0.00 0.00 42.46 39.79 1rrk s ILE 544 CO 0.00 -0.74 1.72 -0.65 0.00 0.00 0.00 174.94 175.27 1rrk h PRO 545 N 6.86 0.22 -4.58 2.79 0.11 -1.83 -2.85 132.00 132.73 1rrk h PRO 545 Ca -0.07 -0.01 -0.62 0.00 0.11 0.00 0.00 66.00 65.41 1rrk h PRO 545 Cb 0.93 -0.05 -0.37 0.00 0.11 0.00 0.00 31.00 31.62 1rrk h PRO 545 CO 0.64 0.15 -0.81 -1.21 -0.21 0.00 0.00 178.00 176.56 1rrk s GLU 546 N -6.14 2.03 -0.39 1.05 0.41 -1.26 -4.66 118.70 109.74 1rrk s GLU 546 Ca -0.13 -0.85 -0.15 0.00 -0.41 0.00 0.00 54.97 53.44 1rrk s GLU 546 Cb 0.15 -2.42 0.01 0.00 -1.78 0.00 0.00 34.13 30.09 1rrk s GLU 546 CO 0.73 -0.43 0.29 0.12 -0.49 0.00 0.00 175.26 175.48 1rrk s PHE 547 N 1.39 3.23 -0.94 1.61 5.36 0.17 -4.97 117.98 123.83 1rrk s PHE 547 Ca -0.01 -0.46 0.13 0.00 -0.96 0.00 0.00 56.93 55.63 1rrk s PHE 547 Cb -0.16 -2.58 0.59 0.00 -0.34 0.00 0.00 43.02 40.53 1rrk s PHE 547 CO -0.08 -0.53 1.45 0.66 -1.46 0.00 0.00 175.22 175.26 1rrk n TYR 548 N 5.18 1.34 -1.79 10.12 4.02 -1.26 -3.77 117.16 130.99 1rrk n TYR 548 Ca -0.11 -0.50 -0.41 0.00 -0.01 0.00 0.00 57.90 56.87 1rrk n TYR 548 Cb 0.48 -0.28 -0.00 0.00 -0.02 0.00 0.00 39.34 39.51 1rrk n TYR 548 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1rrk s ASP 549 N -0.73 6.33 -1.45 7.72 2.15 -1.26 -2.13 116.67 127.30 1rrk s ASP 549 Ca 0.41 3.06 -0.11 0.00 0.43 0.00 0.00 52.55 56.34 1rrk s ASP 549 Cb 0.28 -2.67 0.05 0.00 -0.30 0.00 0.00 42.92 40.29 1rrk s ASP 549 CO 0.17 -0.89 1.05 -1.22 -0.17 0.00 0.00 175.17 174.11 1rrk n TYR 550 N 0.59 -2.51 -1.55 -5.34 4.02 -1.26 -4.41 117.16 106.69 1rrk n TYR 550 Ca 0.02 0.95 -0.41 0.00 -0.01 0.00 0.00 57.90 58.45 1rrk n TYR 550 Cb 0.39 -4.44 -0.01 0.00 -0.02 0.00 0.00 39.34 35.26 1rrk n TYR 550 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1rrk n ASP 551 N -2.92 5.41 -4.05 7.72 4.64 -0.90 -4.30 116.55 122.13 1rrk n ASP 551 Ca 0.00 -2.74 -0.09 0.00 -1.38 0.00 0.00 54.79 50.58 1rrk n ASP 551 Cb 0.55 -1.60 -0.11 0.00 -1.04 0.00 0.00 41.12 38.93 1rrk n ASP 551 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 1rrk s VAL 552 N 2.94 0.31 -0.09 5.18 -7.23 -1.26 -3.21 120.40 117.04 1rrk s VAL 552 Ca 0.55 -1.34 -0.23 0.00 -1.81 0.00 0.00 61.98 59.14 1rrk s VAL 552 Cb 0.15 -0.89 0.05 0.00 0.56 0.00 0.00 36.38 36.26 1rrk s VAL 552 CO -0.07 -0.67 0.54 0.00 -0.31 0.00 0.00 175.10 174.59 1rrk s ALA 553 N -2.45 -1.39 -0.18 1.32 0.00 -0.22 -2.05 121.76 116.79 1rrk s ALA 553 Ca -0.04 1.12 -0.03 0.00 0.00 0.00 0.00 51.96 53.01 1rrk s ALA 553 Cb -0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 23.12 22.84 1rrk s ALA 553 CO -0.04 -0.31 -0.07 -0.51 0.00 0.00 0.00 175.76 174.83 1rrk s LEU 554 N -0.81 2.87 -0.33 0.00 1.43 0.24 -1.41 118.68 120.67 1rrk s LEU 554 Ca -0.09 -0.34 -0.16 0.00 -1.03 0.00 0.00 54.13 52.51 1rrk s LEU 554 Cb -0.03 -1.70 -0.01 0.00 0.03 0.00 0.00 46.19 44.48 1rrk s LEU 554 CO 0.06 0.06 0.41 -0.63 0.23 0.00 0.00 176.35 176.48 1rrk s ILE 555 N 0.99 5.12 -0.14 -0.59 1.01 0.20 0.15 121.20 127.95 1rrk s ILE 555 Ca -0.00 0.23 -0.19 0.00 0.00 0.00 0.00 60.65 60.68 1rrk s ILE 555 Cb -0.15 -3.84 -0.04 0.00 0.01 0.00 0.00 42.46 38.44 1rrk s ILE 555 CO -0.00 -0.09 0.52 -0.75 0.00 0.00 0.00 174.94 174.62 1rrk s LYS 556 N 2.14 4.31 0.45 2.79 2.20 -0.42 -1.65 119.74 129.56 1rrk s LYS 556 Ca 0.14 0.51 -0.13 0.00 -0.36 0.00 0.00 55.97 56.13 1rrk s LYS 556 Cb -0.16 -3.47 -0.07 0.00 -1.51 0.00 0.00 37.83 32.61 1rrk s LYS 556 CO 0.12 0.05 0.85 -0.51 -0.36 0.00 0.00 175.35 175.51 1rrk s LEU 557 N 0.95 3.75 -0.02 5.43 1.43 0.42 -0.11 118.68 130.54 1rrk s LEU 557 Ca 0.27 1.31 -0.25 0.00 -1.03 0.00 0.00 54.13 54.43 1rrk s LEU 557 Cb -0.16 -4.21 -0.20 0.00 0.03 0.00 0.00 46.19 41.66 1rrk s LEU 557 CO 0.11 -0.47 1.27 0.50 0.23 0.00 0.00 176.35 177.99 1rrk h LYS 558 N 1.14 0.05 -6.00 1.70 3.64 -1.44 -3.39 116.57 112.27 1rrk h LYS 558 Ca -0.47 -0.03 -0.64 0.00 -1.27 0.00 0.00 60.65 58.24 1rrk h LYS 558 Cb 1.19 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.93 1rrk h LYS 558 CO 0.63 0.53 -0.56 -0.80 -2.27 0.00 0.00 179.45 176.98 1rrk s ASN 559 N -5.76 5.87 0.22 4.20 0.01 -1.26 -4.96 114.94 113.26 1rrk s ASN 559 Ca -0.16 0.16 -0.30 0.00 -0.71 0.00 0.00 52.86 51.86 1rrk s ASN 559 Cb 0.02 -1.71 -0.08 0.00 0.41 0.00 0.00 41.25 39.89 1rrk s ASN 559 CO 0.69 0.23 1.06 -0.75 -1.51 0.00 0.00 177.10 176.81 1rrk s LYS 560 N -2.06 4.67 0.46 -0.60 2.20 -1.26 -4.87 119.74 118.28 1rrk s LYS 560 Ca 0.27 1.68 -0.09 0.00 -0.36 0.00 0.00 55.97 57.47 1rrk s LYS 560 Cb -0.12 -3.25 -0.05 0.00 -1.51 0.00 0.00 37.83 32.89 1rrk s LYS 560 CO 0.19 0.22 0.82 -0.51 -0.36 0.00 0.00 175.35 175.71 1rrk s LEU 561 N -0.88 3.68 -0.08 5.43 1.43 0.05 -5.03 118.68 123.28 1rrk s LEU 561 Ca 0.46 1.12 0.04 0.00 -1.03 0.00 0.00 54.13 54.72 1rrk s LEU 561 Cb -0.29 -4.05 -0.01 0.00 0.03 0.00 0.00 46.19 41.87 1rrk s LEU 561 CO 0.36 -0.53 -0.21 -0.54 0.23 0.00 0.00 176.35 175.66 1rrk s LYS 562 N -4.32 2.78 0.00 1.70 3.01 -1.26 -4.80 119.74 116.85 1rrk s LYS 562 Ca 0.51 -0.84 -0.30 0.00 -1.01 0.00 0.00 55.97 54.33 1rrk s LYS 562 Cb -0.10 -2.29 -0.04 0.00 -1.01 0.00 0.00 37.83 34.39 1rrk s LYS 562 CO 0.39 0.35 1.06 0.71 0.51 0.00 0.00 175.35 178.36 1rrk s TYR 563 N -0.06 3.56 0.00 3.18 4.12 -1.26 -4.82 117.35 122.07 1rrk s TYR 563 Ca -0.06 1.55 0.00 0.00 0.02 0.00 0.00 57.07 58.58 1rrk s TYR 563 Cb -0.14 -3.23 0.00 0.00 -1.52 0.00 0.00 41.96 37.07 1rrk s TYR 563 CO 0.05 -0.46 0.00 0.41 0.02 0.00 0.00 175.55 175.57 1rrk n GLY 564 N 3.03 3.87 0.03 0.71 0.00 -0.06 -4.98 105.19 107.79 1rrk n GLY 564 Ca 0.07 -1.55 0.08 0.00 0.00 0.00 0.00 46.02 44.63 1rrk n GLY 564 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1rrk n GLN 565 N 0.00 0.04 0.00 1.61 3.00 -1.26 -2.88 117.38 117.90 1rrk n GLN 565 Ca 0.00 0.28 0.02 0.00 -0.01 0.00 0.00 57.00 57.29 1rrk n GLN 565 Cb 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 30.24 28.66 1rrk n GLN 565 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 1rrk n THR 566 N -1.66 0.00 -3.55 5.09 -2.24 -1.26 -4.44 114.28 106.22 1rrk n THR 566 Ca 0.03 -0.47 -0.25 0.00 -2.27 0.00 0.00 64.05 61.09 1rrk n THR 566 Cb 0.19 1.05 -0.15 0.00 -2.10 0.00 0.00 70.33 69.32 1rrk n THR 566 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1rrk s ILE 567 N -0.65 -0.16 0.01 2.28 1.01 -1.14 -3.53 121.20 119.03 1rrk s ILE 567 Ca 0.03 -0.37 -0.08 0.00 0.00 0.00 0.00 60.65 60.23 1rrk s ILE 567 Cb 0.03 -0.76 0.00 0.00 0.01 0.00 0.00 42.46 41.74 1rrk s ILE 567 CO 0.08 -0.43 0.17 -0.13 0.00 0.00 0.00 174.94 174.63 1rrk s ARG 568 N 2.18 0.56 0.38 2.79 0.52 -1.01 -0.88 118.95 123.51 1rrk s ARG 568 Ca 0.06 -0.46 -0.19 0.00 -0.52 0.00 0.00 55.73 54.62 1rrk s ARG 568 Cb -0.16 0.23 -0.10 0.00 0.52 0.00 0.00 34.95 35.44 1rrk s ARG 568 CO -0.21 -0.14 0.87 -1.25 0.02 0.00 0.00 175.30 174.59 1rrk s PRO 569 N -1.75 4.17 0.33 3.54 0.04 -1.26 -3.04 135.00 137.03 1rrk s PRO 569 Ca -0.12 0.97 -0.04 0.00 0.04 0.00 0.00 61.00 61.86 1rrk s PRO 569 Cb -0.05 -2.31 -0.05 0.00 0.04 0.00 0.00 34.50 32.14 1rrk s PRO 569 CO 0.00 0.06 0.59 -1.50 0.04 0.00 0.00 177.00 176.19 1rrk s ILE 570 N -2.08 5.02 0.32 0.56 2.07 -0.50 -1.04 121.20 125.55 1rrk s ILE 570 Ca 0.58 -0.03 -0.26 0.00 -1.41 0.00 0.00 60.65 59.53 1rrk s ILE 570 Cb -0.10 -3.78 -0.10 0.00 0.13 0.00 0.00 42.46 38.61 1rrk s ILE 570 CO 0.15 -0.46 0.95 0.00 -1.91 0.00 0.00 174.94 173.67 1rrk s LEU 572 N -2.03 3.41 0.51 0.00 1.43 -1.26 -0.69 118.68 120.06 1rrk s LEU 572 Ca 0.50 -0.23 -0.23 0.00 -1.03 0.00 0.00 54.13 53.15 1rrk s LEU 572 Cb -0.19 -2.13 -0.06 0.00 0.03 0.00 0.00 46.19 43.83 1rrk s LEU 572 CO 0.24 0.16 1.30 -2.65 0.23 0.00 0.00 176.35 175.63 1rrk n PRO 573 N 0.46 1.70 -3.70 1.29 -0.02 -1.25 -3.63 135.00 129.85 1rrk n PRO 573 Ca -0.11 0.62 -0.22 0.00 -2.02 0.00 0.00 63.50 61.77 1rrk n PRO 573 Cb 0.52 -2.48 0.04 0.00 -0.02 0.00 0.00 33.50 31.56 1rrk n PRO 573 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rrk s THR 575 N -3.56 1.62 0.36 0.00 -4.23 -1.24 -1.19 115.64 107.40 1rrk s THR 575 Ca 0.14 -2.17 0.14 0.00 -1.18 0.00 0.00 61.69 58.62 1rrk s THR 575 Cb -0.07 -2.13 0.11 0.00 1.34 0.00 0.00 72.50 71.75 1rrk s THR 575 CO 0.80 -0.53 1.84 -0.33 -0.54 0.00 0.00 174.62 175.85 1rrk h GLU 576 N 2.52 0.00 -0.57 3.99 5.08 -0.98 -2.66 114.58 121.95 1rrk h GLU 576 Ca -0.38 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.97 1rrk h GLU 576 Cb 1.22 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.44 1rrk h GLU 576 CO 0.63 0.36 0.34 0.78 -1.00 0.00 0.00 179.01 180.11 1rrk h GLY 577 N 1.15 0.83 1.56 -3.84 0.00 -1.83 -2.13 103.07 98.82 1rrk h GLY 577 Ca -0.00 -0.36 -0.12 0.00 0.00 0.00 0.00 47.33 46.85 1rrk h GLY 577 CO 0.05 0.34 -0.35 -0.84 0.00 0.00 0.00 176.54 175.73 1rrk h THR 578 N 0.77 1.29 -0.14 4.70 2.02 -1.73 -1.11 112.91 118.72 1rrk h THR 578 Ca 0.20 -1.47 0.00 0.00 0.77 0.00 0.00 66.41 65.92 1rrk h THR 578 Cb -0.00 1.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 1rrk h THR 578 CO -0.04 0.46 0.09 0.74 0.37 0.00 0.00 175.52 177.14 1rrk h THR 579 N 0.41 1.04 -0.60 3.16 2.02 -1.18 -1.19 112.91 116.57 1rrk h THR 579 Ca 0.05 -0.09 -0.10 0.00 0.77 0.00 0.00 66.41 67.04 1rrk h THR 579 Cb 0.82 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 1rrk h THR 579 CO 0.07 0.04 -0.02 0.03 0.37 0.00 0.00 175.52 176.01 1rrk h ARG 580 N 0.18 1.08 -0.22 6.66 3.08 -1.25 -1.21 114.38 122.69 1rrk h ARG 580 Ca 0.05 -0.35 -0.01 0.00 0.07 0.00 0.00 59.98 59.74 1rrk h ARG 580 Cb -0.01 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 1rrk h ARG 580 CO -0.01 1.06 0.10 0.00 -1.07 0.00 0.00 179.97 180.04 1rrk h ALA 581 N 0.98 1.76 -0.01 0.04 0.00 -0.96 0.59 119.26 121.66 1rrk h ALA 581 Ca 0.17 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1rrk h ALA 581 Cb 0.58 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1rrk h ALA 581 CO 0.03 0.20 -0.06 1.28 0.00 0.00 0.00 179.25 180.70 1rrk n LEU 582 N -4.46 1.21 -3.43 0.00 4.77 -0.47 -4.73 117.00 109.89 1rrk n LEU 582 Ca 0.00 -0.38 -0.20 0.00 -0.03 0.00 0.00 56.01 55.40 1rrk n LEU 582 Cb 0.11 -0.04 0.08 0.00 -2.33 0.00 0.00 43.42 41.25 1rrk n LEU 582 CO 0.35 0.21 0.18 0.54 -1.33 0.00 0.00 177.39 177.34 1rrk n ARG 583 N -0.16 -7.17 -4.14 3.23 1.74 0.20 -4.99 116.66 105.37 1rrk n ARG 583 Ca 0.18 0.81 -0.24 0.00 -0.77 0.00 0.00 57.85 57.82 1rrk n ARG 583 Cb 0.33 -5.76 -0.06 0.00 -1.02 0.00 0.00 32.46 25.95 1rrk n ARG 583 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1rrk s LEU 584 N -6.72 3.67 0.74 0.55 1.43 -0.52 -5.03 118.68 112.80 1rrk s LEU 584 Ca 0.33 -0.27 -0.13 0.00 -1.03 0.00 0.00 54.13 53.03 1rrk s LEU 584 Cb -0.15 -2.25 0.05 0.00 0.03 0.00 0.00 46.19 43.87 1rrk s LEU 584 CO 0.70 0.03 1.15 -2.16 0.23 0.00 0.00 176.35 176.30 1rrk s PRO 585 N -3.40 2.20 0.14 1.29 0.04 -1.26 -4.56 135.00 129.45 1rrk s PRO 585 Ca 0.31 1.51 0.10 0.00 0.04 0.00 0.00 61.00 62.96 1rrk s PRO 585 Cb -0.09 -1.86 0.51 0.00 0.04 0.00 0.00 34.50 33.10 1rrk s PRO 585 CO 0.23 -1.74 1.29 -0.35 0.04 0.00 0.00 177.00 176.47 1rrk n PRO 586 N -2.99 0.06 -0.04 0.56 -0.04 -1.26 -1.35 135.00 129.93 1rrk n PRO 586 Ca 0.11 0.55 0.12 0.00 -0.04 0.00 0.00 63.50 64.25 1rrk n PRO 586 Cb 0.52 -1.69 0.40 0.00 -0.04 0.00 0.00 33.50 32.69 1rrk n PRO 586 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1rrk n THR 587 N -1.82 0.11 -1.75 0.52 -2.24 -1.26 -4.94 114.28 102.89 1rrk n THR 587 Ca -0.00 -0.35 -0.40 0.00 -2.27 0.00 0.00 64.05 61.02 1rrk n THR 587 Cb 0.02 0.59 0.02 0.00 -2.10 0.00 0.00 70.33 68.86 1rrk n THR 587 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1rrk n THR 588 N 0.45 2.68 -3.95 4.28 -1.04 -0.46 -5.01 114.28 111.23 1rrk n THR 588 Ca 0.17 -0.50 -0.22 0.00 -2.04 0.00 0.00 64.05 61.47 1rrk n THR 588 Cb 0.39 -1.81 -0.05 0.00 -1.82 0.00 0.00 70.33 67.05 1rrk n THR 588 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1rrk s THR 589 N -1.19 3.46 0.21 12.58 -4.23 -1.26 -5.00 115.64 120.22 1rrk s THR 589 Ca 0.60 -1.50 -0.10 0.00 -1.18 0.00 0.00 61.69 59.52 1rrk s THR 589 Cb -0.46 -3.13 0.14 0.00 1.34 0.00 0.00 72.50 70.39 1rrk s THR 589 CO 0.58 -0.20 1.82 0.00 -0.54 0.00 0.00 174.62 176.27 1rrk h GLN 591 N 0.71 1.14 -0.63 0.00 5.75 -1.98 0.11 115.11 120.21 1rrk h GLN 591 Ca 0.29 -0.10 -0.04 0.00 -0.15 0.00 0.00 58.65 58.65 1rrk h GLN 591 Cb 0.15 -0.24 -0.03 0.00 1.07 0.00 0.00 27.48 28.43 1rrk h GLN 591 CO -0.16 0.80 0.25 1.96 -2.65 0.00 0.00 178.83 179.02 1rrk h GLN 592 N 1.15 0.94 -0.67 1.69 4.20 -1.59 -0.55 115.11 120.29 1rrk h GLN 592 Ca 0.30 -0.17 -0.03 0.00 0.06 0.00 0.00 58.65 58.81 1rrk h GLN 592 Cb -0.05 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.55 1rrk h GLN 592 CO -0.06 0.80 0.29 1.96 -0.67 0.00 0.00 178.83 181.15 1rrk h GLN 593 N 0.88 0.98 -0.70 1.46 4.20 -0.22 -1.89 115.11 119.82 1rrk h GLN 593 Ca 0.21 -0.16 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 1rrk h GLN 593 Cb 0.21 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.79 1rrk h GLN 593 CO -0.02 0.80 0.42 -0.22 -0.67 0.00 0.00 178.83 179.15 1rrk h LYS 594 N 0.94 0.96 -0.21 1.46 3.64 -0.35 0.20 116.57 123.19 1rrk h LYS 594 Ca 0.23 -0.09 -0.08 0.00 -1.27 0.00 0.00 60.65 59.44 1rrk h LYS 594 Cb 0.17 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 1rrk h LYS 594 CO -0.02 0.68 -0.20 0.93 -2.27 0.00 0.00 179.45 178.57 1rrk h GLU 595 N 0.96 0.38 -0.02 1.90 5.08 -0.84 0.32 114.58 122.35 1rrk h GLU 595 Ca 0.25 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.41 1rrk h GLU 595 Cb -0.03 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.19 1rrk h GLU 595 CO -0.05 0.56 -0.31 1.49 -1.00 0.00 0.00 179.01 179.70 1rrk h GLU 596 N 0.34 0.24 0.23 2.33 4.57 -0.58 -3.24 114.58 118.47 1rrk h GLU 596 Ca 0.06 -0.24 -0.34 0.00 -1.18 0.00 0.00 59.36 57.66 1rrk h GLU 596 Cb 0.54 0.06 0.03 0.00 -0.16 0.00 0.00 28.75 29.22 1rrk h GLU 596 CO 0.04 0.93 -1.56 -0.07 -1.18 0.00 0.00 179.01 177.17 1rrk h LEU 597 N -0.36 0.76 -5.86 1.64 3.38 -0.59 -3.40 115.31 110.88 1rrk h LEU 597 Ca -0.03 -0.90 -0.59 0.00 0.09 0.00 0.00 57.88 56.45 1rrk h LEU 597 Cb 1.03 -0.25 -0.42 0.00 0.09 0.00 0.00 40.66 41.11 1rrk h LEU 597 CO 0.06 1.72 -0.67 0.18 0.09 0.00 0.00 178.44 179.82 1rrk n LEU 598 N -3.67 3.64 -4.67 1.67 4.77 0.11 -5.04 117.00 113.81 1rrk n LEU 598 Ca -0.19 -5.46 -0.30 0.00 -0.03 0.00 0.00 56.01 50.03 1rrk n LEU 598 Cb 1.10 -0.48 0.16 0.00 -2.33 0.00 0.00 43.42 41.87 1rrk n LEU 598 CO 0.58 2.17 0.65 -2.16 -1.33 0.00 0.00 177.39 177.30 1rrk s PRO 599 N -2.73 0.91 -1.31 3.23 0.04 -1.22 -4.67 135.00 129.24 1rrk s PRO 599 Ca 0.43 1.07 -0.18 0.00 0.04 0.00 0.00 61.00 62.36 1rrk s PRO 599 Cb 0.20 -1.75 0.07 0.00 0.04 0.00 0.00 34.50 33.07 1rrk s PRO 599 CO -0.06 -2.55 1.77 0.00 0.04 0.00 0.00 177.00 176.19 1rrk n ALA 600 N -4.13 3.71 -3.00 8.56 0.00 -1.26 -4.75 120.51 119.63 1rrk n ALA 600 Ca 0.08 -3.86 0.00 0.00 0.00 0.00 0.00 53.44 49.66 1rrk n ALA 600 Cb 0.54 -3.59 0.00 0.00 0.00 0.00 0.00 19.45 16.40 1rrk n ALA 600 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rrk n GLN 601 N 8.16 0.00 -2.68 0.00 10.64 -1.12 -4.47 117.38 127.91 1rrk n GLN 601 Ca 0.49 0.00 -0.43 0.00 -1.83 0.00 0.00 57.00 55.23 1rrk n GLN 601 Cb 0.45 0.00 -0.02 0.00 -0.86 0.00 0.00 30.24 29.81 1rrk n GLN 601 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1rrk s ASP 602 N -0.51 6.97 -0.22 2.61 1.01 -1.26 -1.18 116.67 124.08 1rrk s ASP 602 Ca 0.00 1.14 -0.08 0.00 0.71 0.00 0.00 52.55 54.32 1rrk s ASP 602 Cb 0.00 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.37 1rrk s ASP 602 CO 0.00 -0.76 0.09 -0.63 0.21 0.00 0.00 175.17 174.08 1rrk s ILE 603 N 3.39 4.76 0.03 0.77 1.01 0.47 -4.87 121.20 126.76 1rrk s ILE 603 Ca 0.43 -0.03 -0.30 0.00 0.00 0.00 0.00 60.65 60.75 1rrk s ILE 603 Cb -0.14 -3.19 -0.07 0.00 0.01 0.00 0.00 42.46 39.07 1rrk s ILE 603 CO 0.11 0.38 1.50 -0.75 0.00 0.00 0.00 174.94 176.19 1rrk s LYS 604 N 1.00 4.25 0.16 2.79 2.47 -1.26 -0.09 119.74 129.06 1rrk s LYS 604 Ca 0.05 2.11 -0.01 0.00 -1.56 0.00 0.00 55.97 56.56 1rrk s LYS 604 Cb -0.14 -3.59 0.00 0.00 -1.46 0.00 0.00 37.83 32.65 1rrk s LYS 604 CO 0.03 -0.64 0.22 0.00 0.16 0.00 0.00 175.35 175.12 1rrk n ALA 605 N 5.49 -0.14 -3.41 3.13 0.00 -0.16 -4.63 120.51 120.79 1rrk n ALA 605 Ca 0.14 -0.74 -0.11 0.00 0.00 0.00 0.00 53.44 52.73 1rrk n ALA 605 Cb 0.42 0.60 -0.02 0.00 0.00 0.00 0.00 19.45 20.45 1rrk n ALA 605 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1rrk s LEU 606 N 0.00 -0.36 0.08 0.00 0.05 0.12 -1.00 118.68 117.57 1rrk s LEU 606 Ca 0.13 -0.16 -0.02 0.00 0.05 0.00 0.00 54.13 54.14 1rrk s LEU 606 Cb -0.00 2.48 -0.04 0.00 -2.05 0.00 0.00 46.19 46.58 1rrk s LEU 606 CO 0.10 -1.01 0.02 0.72 -0.55 0.00 0.00 176.35 175.62 1rrk s PHE 607 N -3.79 0.62 -0.08 3.48 -0.12 -0.78 0.27 117.98 117.58 1rrk s PHE 607 Ca 0.03 -1.10 -0.02 0.00 -0.05 0.00 0.00 56.93 55.79 1rrk s PHE 607 Cb -0.01 -0.40 -0.03 0.00 -0.63 0.00 0.00 43.02 41.94 1rrk s PHE 607 CO -0.10 -0.44 0.02 0.08 -0.05 0.00 0.00 175.22 174.73 1rrk s VAL 608 N -3.96 4.48 -0.00 -2.49 1.01 -1.26 -0.81 120.40 117.36 1rrk s VAL 608 Ca 0.13 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 61.92 1rrk s VAL 608 Cb 0.08 -2.91 -0.01 0.00 0.00 0.00 0.00 36.38 33.54 1rrk s VAL 608 CO -0.06 0.58 -0.09 -0.55 0.00 0.00 0.00 175.10 174.99 1rrk s SER 609 N -0.98 1.03 -0.39 3.32 0.15 -0.65 -4.88 113.70 111.30 1rrk s SER 609 Ca 0.14 -0.20 -0.18 0.00 0.70 0.00 0.00 55.95 56.41 1rrk s SER 609 Cb -0.11 -0.10 0.01 0.00 -1.71 0.00 0.00 66.02 64.10 1rrk s SER 609 CO 0.04 0.08 0.52 -1.83 1.20 0.00 0.00 173.24 173.25 1rrk s GLU 610 N -0.35 3.40 -0.71 5.44 1.03 -1.26 -1.20 118.70 125.05 1rrk s GLU 610 Ca 0.02 -0.38 -0.01 0.00 0.03 0.00 0.00 54.97 54.64 1rrk s GLU 610 Cb -0.04 -3.88 0.18 0.00 -0.80 0.00 0.00 34.13 29.58 1rrk s GLU 610 CO -0.00 -0.78 0.54 -1.21 -1.33 0.00 0.00 175.26 172.47 1rrk s GLU 611 N 2.42 2.73 -0.52 -4.83 2.02 0.20 -4.81 118.70 115.90 1rrk s GLU 611 Ca 0.18 -2.89 -0.01 0.00 0.02 0.00 0.00 54.97 52.27 1rrk s GLU 611 Cb -0.16 -3.73 0.00 0.00 0.10 0.00 0.00 34.13 30.35 1rrk s GLU 611 CO 0.15 -1.21 0.51 -0.85 0.02 0.00 0.00 175.26 173.87 1rrk n GLU 612 N 2.88 -1.03 -0.02 1.61 0.28 -1.26 -3.45 120.64 119.65 1rrk n GLU 612 Ca 0.13 1.27 0.00 0.00 -0.16 0.00 0.00 57.16 58.40 1rrk n GLU 612 Cb 0.37 -4.62 0.00 0.00 1.43 0.00 0.00 31.44 28.61 1rrk n GLU 612 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 1rrk n LYS 613 N -1.46 0.00 -4.71 3.44 2.85 -1.26 -4.95 118.16 112.06 1rrk n LYS 613 Ca 0.01 0.00 -0.33 0.00 -1.05 0.00 0.00 58.31 56.94 1rrk n LYS 613 Cb 0.49 -2.92 -0.12 0.00 -0.65 0.00 0.00 35.03 31.82 1rrk n LYS 613 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 1rrk s LYS 614 N -0.01 2.50 -0.15 -1.58 -2.85 -1.22 -5.09 119.74 111.33 1rrk s LYS 614 Ca 0.00 -0.71 -0.12 0.00 -1.00 0.00 0.00 55.97 54.14 1rrk s LYS 614 Cb 0.00 -2.42 -0.05 0.00 -2.06 0.00 0.00 37.83 33.30 1rrk s LYS 614 CO 0.00 0.62 0.24 -0.51 0.10 0.00 0.00 175.35 175.79 1rrk s LEU 615 N -1.01 4.28 0.01 2.77 1.43 -1.26 0.58 118.68 125.47 1rrk s LEU 615 Ca 0.13 0.47 0.01 0.00 -1.03 0.00 0.00 54.13 53.72 1rrk s LEU 615 Cb -0.11 -2.27 -0.01 0.00 0.03 0.00 0.00 46.19 43.83 1rrk s LEU 615 CO 0.03 0.18 -0.05 0.28 0.23 0.00 0.00 176.35 177.03 1rrk s THR 616 N 0.09 0.35 0.04 5.49 -1.32 -0.34 -4.96 115.64 114.99 1rrk s THR 616 Ca 0.15 -0.43 -0.26 0.00 -1.21 0.00 0.00 61.69 59.94 1rrk s THR 616 Cb -0.13 -0.34 -0.05 0.00 -1.51 0.00 0.00 72.50 70.47 1rrk s THR 616 CO 0.03 -0.06 0.80 -0.13 -2.21 0.00 0.00 174.62 173.05 1rrk s ARG 617 N -0.53 4.52 -0.22 7.08 0.52 -1.26 -1.63 118.95 127.43 1rrk s ARG 617 Ca -0.02 1.12 -0.02 0.00 -0.52 0.00 0.00 55.73 56.28 1rrk s ARG 617 Cb -0.04 -3.38 0.01 0.00 0.52 0.00 0.00 34.95 32.07 1rrk s ARG 617 CO -0.00 0.24 -0.09 0.15 0.02 0.00 0.00 175.30 175.63 1rrk s LYS 618 N 0.06 3.09 0.03 3.54 -0.14 0.01 -4.97 119.74 121.36 1rrk s LYS 618 Ca 0.40 -0.80 -0.29 0.00 -1.36 0.00 0.00 55.97 53.92 1rrk s LYS 618 Cb -0.21 -2.89 -0.04 0.00 -1.68 0.00 0.00 37.83 33.01 1rrk s LYS 618 CO 0.24 -0.27 0.92 -2.00 -0.76 0.00 0.00 175.35 173.48 1rrk s GLU 619 N 1.38 4.58 0.28 1.68 2.12 -1.26 -1.86 118.70 125.62 1rrk s GLU 619 Ca 0.04 1.34 0.03 0.00 0.36 0.00 0.00 54.97 56.74 1rrk s GLU 619 Cb -0.15 -3.42 -0.04 0.00 0.26 0.00 0.00 34.13 30.78 1rrk s GLU 619 CO -0.06 0.08 0.18 0.14 -0.54 0.00 0.00 175.26 175.06 1rrk s VAL 620 N 0.57 0.14 -0.08 3.70 -7.23 -0.17 -4.22 120.40 113.10 1rrk s VAL 620 Ca 0.48 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.66 1rrk s VAL 620 Cb -0.21 -2.50 0.02 0.00 0.56 0.00 0.00 36.38 34.24 1rrk s VAL 620 CO 0.27 0.00 -0.12 -0.31 -0.31 0.00 0.00 175.10 174.63 1rrk s TYR 621 N -3.72 1.57 -0.31 2.82 1.51 -1.26 -0.99 117.35 116.97 1rrk s TYR 621 Ca 0.38 -0.65 -0.25 0.00 -1.01 0.00 0.00 57.07 55.54 1rrk s TYR 621 Cb 0.05 -1.17 0.00 0.00 -0.11 0.00 0.00 41.96 40.73 1rrk s TYR 621 CO 0.19 -0.36 0.85 0.42 -1.11 0.00 0.00 175.55 175.54 1rrk s ILE 622 N 0.90 4.73 -0.98 2.71 1.01 0.87 -4.11 121.20 126.32 1rrk s ILE 622 Ca -0.10 1.30 -0.24 0.00 0.00 0.00 0.00 60.65 61.62 1rrk s ILE 622 Cb -0.15 -4.21 0.05 0.00 0.01 0.00 0.00 42.46 38.16 1rrk s ILE 622 CO 0.01 -0.31 1.44 -0.54 0.00 0.00 0.00 174.94 175.54 1rrk s LYS 623 N 3.11 3.53 -0.06 2.79 -0.14 -0.18 -0.39 119.74 128.39 1rrk s LYS 623 Ca 0.35 -1.00 0.10 0.00 -1.36 0.00 0.00 55.97 54.06 1rrk s LYS 623 Cb -0.14 -5.21 0.24 0.00 -1.68 0.00 0.00 37.83 31.04 1rrk s LYS 623 CO 0.13 -2.22 1.17 -1.71 -0.76 0.00 0.00 175.35 171.96 1rrk n ASN 624 N 9.03 2.65 0.00 2.83 5.15 -0.33 -4.03 115.26 130.56 1rrk n ASN 624 Ca 0.30 -2.46 0.00 0.00 -0.60 0.00 0.00 54.58 51.82 1rrk n ASN 624 Cb 0.51 -0.26 0.00 0.00 -0.53 0.00 0.00 39.78 39.50 1rrk n ASN 624 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1rrk n GLY 625 N -0.50 3.52 0.27 8.20 0.00 -1.09 -2.77 105.19 112.82 1rrk n GLY 625 Ca 0.11 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.19 1rrk n GLY 625 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1rrk n ASP 626 N 0.00 0.37 -0.48 1.61 5.68 -1.26 -1.36 116.55 121.11 1rrk n ASP 626 Ca 0.00 -1.34 0.08 0.00 -0.50 0.00 0.00 54.79 53.03 1rrk n ASP 626 Cb 0.00 -0.18 0.03 0.00 -1.14 0.00 0.00 41.12 39.83 1rrk n ASP 626 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1rrk n LYS 627 N -0.14 1.49 0.12 0.11 4.81 -1.26 -4.62 118.16 118.68 1rrk n LYS 627 Ca 0.00 -1.08 -0.14 0.00 -0.87 0.00 0.00 58.31 56.22 1rrk n LYS 627 Cb 0.09 -1.27 -0.08 0.00 0.02 0.00 0.00 35.03 33.80 1rrk n LYS 627 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1rrk h LYS 628 N 2.34 -0.23 -0.83 1.64 3.64 -1.36 -3.04 116.57 118.73 1rrk h LYS 628 Ca 0.00 0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.51 1rrk h LYS 628 Cb 0.58 0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 32.37 1rrk h LYS 628 CO 0.00 -0.11 0.45 0.78 -2.27 0.00 0.00 179.45 178.30 1rrk h GLY 629 N -0.28 1.31 1.19 5.01 0.00 -1.82 -0.69 103.07 107.80 1rrk h GLY 629 Ca -0.02 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 1rrk h GLY 629 CO 0.04 0.06 0.33 1.76 0.00 0.00 0.00 176.54 178.73 1rrk h SER 630 N 0.72 0.94 0.00 0.19 0.02 -1.86 0.45 113.55 114.01 1rrk h SER 630 Ca 0.42 -0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 61.26 1rrk h SER 630 Cb 0.48 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1rrk h SER 630 CO -0.29 0.81 -0.00 0.00 -1.14 0.00 0.00 176.83 176.21 1rrk h GLU 632 N -0.38 1.21 0.00 0.00 5.08 -0.91 -2.66 114.58 116.92 1rrk h GLU 632 Ca -0.00 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.20 1rrk h GLU 632 Cb 0.38 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1rrk h GLU 632 CO 0.00 0.85 -0.20 0.00 -1.00 0.00 0.00 179.01 178.66 1rrk h ARG 633 N 1.22 0.00 0.00 2.33 3.08 -0.92 -1.63 114.38 118.47 1rrk h ARG 633 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.37 1rrk h ARG 633 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1rrk h ARG 633 CO -0.06 0.20 0.00 -0.25 -1.07 0.00 0.00 179.97 178.79 1rrk n ASP 634 N -4.11 0.00 0.10 7.04 8.00 -1.00 -1.61 116.55 124.97 1rrk n ASP 634 Ca -0.02 0.06 0.10 0.00 0.71 0.00 0.00 54.79 55.64 1rrk n ASP 634 Cb 0.27 -0.21 0.44 0.00 -0.02 0.00 0.00 41.12 41.61 1rrk n ASP 634 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rrk n ALA 635 N -1.21 1.56 0.21 2.24 0.00 -0.61 -2.48 120.51 120.21 1rrk n ALA 635 Ca 0.04 0.07 0.05 0.00 0.00 0.00 0.00 53.44 53.60 1rrk n ALA 635 Cb 0.05 -1.33 0.45 0.00 0.00 0.00 0.00 19.45 18.63 1rrk n ALA 635 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1rrk h GLN 636 N 0.00 0.00 -0.17 0.00 3.07 -1.54 -2.35 115.11 114.12 1rrk h GLN 636 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1rrk h GLN 636 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.84 1rrk h GLN 636 CO 0.00 0.28 0.00 0.66 0.09 0.00 0.00 178.83 179.86 1rrk n TYR 637 N -4.07 0.23 -2.64 0.06 4.02 -1.04 -3.94 117.16 109.79 1rrk n TYR 637 Ca -0.02 -0.12 -0.36 0.00 -0.01 0.00 0.00 57.90 57.39 1rrk n TYR 637 Cb 0.34 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.61 1rrk n TYR 637 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1rrk s ALA 638 N -1.77 3.13 -0.02 -0.72 0.00 -0.89 -4.88 121.76 116.61 1rrk s ALA 638 Ca 0.18 0.63 -0.34 0.00 0.00 0.00 0.00 51.96 52.43 1rrk s ALA 638 Cb 0.09 -3.24 -0.12 0.00 0.00 0.00 0.00 23.12 19.86 1rrk s ALA 638 CO 0.13 -0.06 1.82 -2.30 0.00 0.00 0.00 175.76 175.35 1rrk n PRO 639 N 0.10 2.24 -0.85 0.00 -0.02 -1.26 -1.25 135.00 133.97 1rrk n PRO 639 Ca 0.04 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 1rrk n PRO 639 Cb 0.50 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 1rrk n PRO 639 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rrk n GLY 640 N 4.20 0.89 1.02 -1.23 0.00 -1.26 -4.89 105.19 103.92 1rrk n GLY 640 Ca 0.21 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.32 1rrk n GLY 640 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1rrk n TYR 641 N -2.08 0.72 0.23 1.61 4.02 -0.38 -4.47 117.16 116.80 1rrk n TYR 641 Ca 0.00 -0.49 0.08 0.00 -0.01 0.00 0.00 57.90 57.48 1rrk n TYR 641 Cb 0.00 -0.01 0.54 0.00 -0.02 0.00 0.00 39.34 39.84 1rrk n TYR 641 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 176.86 176.23 1rrk h ASP 642 N 3.25 0.00 -0.46 7.72 2.03 -1.71 -3.01 116.42 124.25 1rrk h ASP 642 Ca 0.00 0.00 -0.14 0.00 -0.73 0.00 0.00 57.03 56.16 1rrk h ASP 642 Cb 0.87 0.00 -0.08 0.00 -0.83 0.00 0.00 39.33 39.28 1rrk h ASP 642 CO 0.00 0.23 0.09 2.29 -1.03 0.00 0.00 179.24 180.81 1rrk n LYS 643 N -3.89 2.77 -2.32 4.15 2.85 -1.26 -4.97 118.16 115.49 1rrk n LYS 643 Ca -0.02 -3.03 -0.42 0.00 -1.05 0.00 0.00 58.31 53.79 1rrk n LYS 643 Cb 0.32 -1.96 -0.03 0.00 -0.65 0.00 0.00 35.03 32.71 1rrk n LYS 643 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1rrk s VAL 644 N -3.03 3.95 0.00 0.58 1.01 -1.14 -4.69 120.40 117.08 1rrk s VAL 644 Ca 0.47 1.30 0.00 0.00 0.00 0.00 0.00 61.98 63.75 1rrk s VAL 644 Cb 0.40 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1rrk s VAL 644 CO 0.07 -0.01 0.98 2.29 0.00 0.00 0.00 175.10 178.43 1rrk n LYS 645 N 5.44 0.00 -3.85 2.72 0.00 -1.25 -4.47 118.16 116.75 1rrk n LYS 645 Ca 0.12 0.55 -0.36 0.00 -0.00 0.00 0.00 58.31 58.62 1rrk n LYS 645 Cb 0.45 -1.48 -0.13 0.00 -0.00 0.00 0.00 35.03 33.86 1rrk n LYS 645 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1rrk s ASP 646 N -2.13 5.01 0.59 -5.58 3.68 -1.26 -4.98 116.67 112.00 1rrk s ASP 646 Ca 0.00 -1.19 0.29 0.00 2.13 0.00 0.00 52.55 53.78 1rrk s ASP 646 Cb 0.00 -1.77 1.57 0.00 -1.45 0.00 0.00 42.92 41.27 1rrk s ASP 646 CO 0.00 -0.27 1.99 -0.29 0.13 0.00 0.00 175.17 176.73 1rrk h ILE 647 N 6.34 0.40 0.00 4.11 6.09 -1.99 0.30 117.51 132.76 1rrk h ILE 647 Ca -0.23 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.26 1rrk h ILE 647 Cb 1.07 0.72 0.00 0.00 0.47 0.00 0.00 36.82 39.09 1rrk h ILE 647 CO 0.56 0.00 0.00 -1.54 -3.07 0.00 0.00 178.15 174.10 1rrk n SER 648 N -3.72 0.53 0.15 2.19 3.41 -1.26 -1.09 113.62 113.83 1rrk n SER 648 Ca 0.05 0.64 0.03 0.00 -0.26 0.00 0.00 58.87 59.33 1rrk n SER 648 Cb 0.49 -0.75 0.05 0.00 -0.26 0.00 0.00 64.21 63.75 1rrk n SER 648 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1rrk h GLU 649 N 0.00 0.00 0.08 4.33 4.81 -0.82 -3.31 114.58 119.67 1rrk h GLU 649 Ca 0.00 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.88 1rrk h GLU 649 Cb 0.31 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 1rrk h GLU 649 CO 0.00 0.46 -1.94 1.33 -0.73 0.00 0.00 179.01 178.13 1rrk n VAL 650 N -3.23 1.68 -3.14 0.32 0.24 -0.64 -4.55 118.33 109.00 1rrk n VAL 650 Ca 0.02 -0.50 -0.45 0.00 -2.04 0.00 0.00 64.34 61.37 1rrk n VAL 650 Cb 0.71 -1.77 -0.01 0.00 -1.47 0.00 0.00 33.84 31.30 1rrk n VAL 650 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1rrk s VAL 651 N -2.51 5.35 0.88 3.34 1.01 -0.25 -4.79 120.40 123.44 1rrk s VAL 651 Ca -0.26 -2.51 -0.13 0.00 0.00 0.00 0.00 61.98 59.07 1rrk s VAL 651 Cb 0.07 -4.68 0.13 0.00 0.00 0.00 0.00 36.38 31.90 1rrk s VAL 651 CO 0.69 -1.32 1.20 0.42 0.00 0.00 0.00 175.10 176.09 1rrk s THR 652 N 0.78 1.98 -0.99 3.92 -4.23 -1.24 -4.57 115.64 111.29 1rrk s THR 652 Ca 0.30 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 60.83 1rrk s THR 652 Cb -0.07 -2.92 0.02 0.00 1.34 0.00 0.00 72.50 70.86 1rrk s THR 652 CO -0.07 0.00 1.06 -2.65 -0.54 0.00 0.00 174.62 172.42 1rrk n PRO 653 N -3.58 0.00 0.00 3.99 -0.02 -1.26 -1.89 135.00 132.24 1rrk n PRO 653 Ca 0.09 0.48 0.15 0.00 -2.02 0.00 0.00 63.50 62.20 1rrk n PRO 653 Cb 0.60 -1.51 0.75 0.00 -0.02 0.00 0.00 33.50 33.32 1rrk n PRO 653 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1rrk n ARG 654 N -1.51 0.41 -4.01 -0.52 3.00 -1.26 -4.89 116.66 107.88 1rrk n ARG 654 Ca 0.00 -0.01 -0.32 0.00 -0.01 0.00 0.00 57.85 57.52 1rrk n ARG 654 Cb 0.02 -1.50 -0.06 0.00 0.00 0.00 0.00 32.46 30.92 1rrk n ARG 654 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1rrk s PHE 655 N -2.59 3.35 0.14 -1.55 0.40 -0.79 0.27 117.98 117.21 1rrk s PHE 655 Ca 0.28 0.19 0.08 0.00 -0.60 0.00 0.00 56.93 56.88 1rrk s PHE 655 Cb 0.20 -1.72 -0.04 0.00 0.51 0.00 0.00 43.02 41.98 1rrk s PHE 655 CO 0.47 0.56 -0.09 -0.51 0.70 0.00 0.00 175.22 176.35 1rrk s LEU 656 N -2.21 3.02 -0.05 -0.37 1.43 0.31 -4.80 118.68 116.02 1rrk s LEU 656 Ca 0.29 -0.47 0.04 0.00 -1.03 0.00 0.00 54.13 52.95 1rrk s LEU 656 Cb -0.12 -1.76 -0.00 0.00 0.03 0.00 0.00 46.19 44.33 1rrk s LEU 656 CO 0.21 0.14 -0.16 0.00 0.23 0.00 0.00 176.35 176.77 1rrk s THR 658 N 0.15 0.45 0.00 0.00 -4.23 -0.12 -1.01 115.64 110.88 1rrk s THR 658 Ca -0.06 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.45 1rrk s THR 658 Cb -0.12 -2.45 0.00 0.00 1.34 0.00 0.00 72.50 71.27 1rrk s THR 658 CO 0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 1rrk n GLY 659 N -0.74 0.91 0.00 3.99 0.00 -1.26 -0.73 105.19 107.36 1rrk n GLY 659 Ca -0.01 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.14 1rrk n GLY 659 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rrk n GLY 660 N 1.15 -0.77 0.32 -0.02 0.00 -1.21 -4.80 105.19 99.86 1rrk n GLY 660 Ca 0.00 -2.23 0.04 0.00 0.00 0.00 0.00 46.02 43.83 1rrk n GLY 660 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1rrk n VAL 661 N -0.23 0.06 -4.19 1.61 0.24 -1.25 -0.81 118.33 113.77 1rrk n VAL 661 Ca 0.00 -0.53 -0.19 0.00 -2.04 0.00 0.00 64.34 61.58 1rrk n VAL 661 Cb 0.00 1.12 -0.16 0.00 -1.47 0.00 0.00 33.84 33.33 1rrk n VAL 661 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1rrk s SER 662 N -0.66 0.87 0.47 -1.34 0.15 -1.26 -3.54 113.70 108.39 1rrk s SER 662 Ca 0.09 -0.12 0.31 0.00 0.70 0.00 0.00 55.95 56.93 1rrk s SER 662 Cb 0.07 -0.34 1.20 0.00 -1.71 0.00 0.00 66.02 65.23 1rrk s SER 662 CO 0.10 -0.01 1.90 1.55 1.20 0.00 0.00 173.24 177.97 1rrk h PRO 663 N 6.82 0.00 -4.52 5.44 0.13 -1.94 -3.49 132.00 134.45 1rrk h PRO 663 Ca -0.36 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.56 1rrk h PRO 663 Cb 1.16 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.14 1rrk h PRO 663 CO 0.48 0.00 -0.65 0.71 -0.23 0.00 0.00 178.00 178.31 1rrk s TYR 664 N -3.55 0.94 -0.64 1.56 1.51 -1.23 -5.08 117.35 110.87 1rrk s TYR 664 Ca 0.02 -1.17 -0.27 0.00 -1.01 0.00 0.00 57.07 54.64 1rrk s TYR 664 Cb 0.09 -0.54 0.00 0.00 -0.11 0.00 0.00 41.96 41.40 1rrk s TYR 664 CO 0.52 -0.43 1.61 0.00 -1.11 0.00 0.00 175.55 176.13 1rrk s ALA 665 N -3.94 2.47 0.25 3.71 0.00 -1.26 -3.84 121.76 119.15 1rrk s ALA 665 Ca 0.23 -0.85 -0.29 0.00 0.00 0.00 0.00 51.96 51.05 1rrk s ALA 665 Cb 0.07 -4.25 -0.09 0.00 0.00 0.00 0.00 23.12 18.85 1rrk s ALA 665 CO 0.02 -3.52 0.92 -0.51 0.00 0.00 0.00 175.76 172.68 1rrk s ASP 666 N 6.09 7.57 0.62 0.00 1.11 0.01 -5.00 116.67 127.06 1rrk s ASP 666 Ca 0.55 1.90 -0.09 0.00 0.18 0.00 0.00 52.55 55.09 1rrk s ASP 666 Cb -0.11 -2.59 -0.01 0.00 1.07 0.00 0.00 42.92 41.27 1rrk s ASP 666 CO 0.20 0.13 0.98 -2.16 1.18 0.00 0.00 175.17 175.50 1rrk s PRO 667 N -1.33 3.23 0.21 8.23 0.04 -1.26 -4.45 135.00 139.67 1rrk s PRO 667 Ca 0.42 0.42 0.08 0.00 0.04 0.00 0.00 61.00 61.96 1rrk s PRO 667 Cb -0.24 -2.15 -0.04 0.00 0.04 0.00 0.00 34.50 32.10 1rrk s PRO 667 CO 0.30 -0.67 -0.01 -0.80 0.04 0.00 0.00 177.00 175.85 1rrk s ASN 668 N -4.25 4.62 0.45 6.66 -0.87 -1.26 -4.70 114.94 115.60 1rrk s ASN 668 Ca 0.54 -0.50 -0.22 0.00 -1.57 0.00 0.00 52.86 51.11 1rrk s ASN 668 Cb -0.11 -0.92 -0.09 0.00 -0.02 0.00 0.00 41.25 40.12 1rrk s ASN 668 CO 0.50 0.06 1.04 0.42 -2.57 0.00 0.00 177.10 176.55 1rrk s THR 669 N -1.91 3.79 0.32 1.60 -4.23 -1.26 -5.04 115.64 108.91 1rrk s THR 669 Ca 0.28 1.21 0.07 0.00 -1.18 0.00 0.00 61.69 62.07 1rrk s THR 669 Cb -0.08 -3.54 -0.02 0.00 1.34 0.00 0.00 72.50 70.19 1rrk s THR 669 CO 0.18 -0.15 0.32 0.00 -0.54 0.00 0.00 174.62 174.44 1rrk h ARG 671 N 1.19 0.77 0.00 0.00 9.65 -1.97 0.47 114.38 124.49 1rrk h ARG 671 Ca -0.46 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.38 1rrk h ARG 671 Cb 1.25 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 29.66 1rrk h ARG 671 CO 0.58 0.51 0.00 0.78 2.80 0.00 0.00 179.97 184.63 1rrk h GLY 672 N 0.79 0.00 1.41 2.80 0.00 -1.96 -2.64 103.07 103.48 1rrk h GLY 672 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.89 1rrk h GLY 672 CO -0.37 0.00 -0.34 1.22 0.00 0.00 0.00 176.54 177.06 1rrk n ASP 673 N -2.56 0.43 -4.62 0.19 8.00 0.15 -3.91 116.55 114.24 1rrk n ASP 673 Ca 0.01 0.12 -0.48 0.00 0.71 0.00 0.00 54.79 55.15 1rrk n ASP 673 Cb 0.22 -0.08 -0.04 0.00 -0.02 0.00 0.00 41.12 41.20 1rrk n ASP 673 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1rrk n SER 674 N -1.70 1.99 0.00 -2.24 2.88 -1.00 -1.16 113.62 112.40 1rrk n SER 674 Ca 0.05 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.72 1rrk n SER 674 Cb 0.37 -1.29 0.00 0.00 -0.75 0.00 0.00 64.21 62.54 1rrk n SER 674 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1rrk n GLY 675 N 2.36 3.12 3.64 0.46 0.00 -0.23 -1.38 105.19 113.15 1rrk n GLY 675 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1rrk n GLY 675 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rrk s GLY 676 N -2.32 1.60 0.31 -0.02 0.00 -0.30 -3.98 107.32 102.62 1rrk s GLY 676 Ca 0.00 -0.02 -0.23 0.00 0.00 0.00 0.00 44.72 44.47 1rrk s GLY 676 CO 0.00 0.54 0.87 2.56 0.00 0.00 0.00 173.10 177.07 1rrk s PRO 677 N -4.76 4.40 -0.25 2.90 0.04 -1.26 -0.72 135.00 135.35 1rrk s PRO 677 Ca 0.66 1.13 -0.08 0.00 0.04 0.00 0.00 61.00 62.74 1rrk s PRO 677 Cb -0.21 -2.70 -0.03 0.00 0.04 0.00 0.00 34.50 31.60 1rrk s PRO 677 CO 0.59 0.25 0.09 -1.17 0.04 0.00 0.00 177.00 176.81 1rrk s LEU 678 N -2.27 3.57 0.08 -3.56 2.96 -0.06 -4.33 118.68 115.07 1rrk s LEU 678 Ca 0.50 -0.15 0.09 0.00 -0.22 0.00 0.00 54.13 54.36 1rrk s LEU 678 Cb -0.16 -1.96 -0.03 0.00 0.50 0.00 0.00 46.19 44.53 1rrk s LEU 678 CO 0.21 -0.02 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.37 1rrk s ILE 679 N 1.54 2.52 -0.11 6.68 1.01 0.14 -1.41 121.20 131.56 1rrk s ILE 679 Ca 0.06 -1.44 0.00 0.00 0.00 0.00 0.00 60.65 59.28 1rrk s ILE 679 Cb -0.15 -2.07 -0.02 0.00 0.01 0.00 0.00 42.46 40.23 1rrk s ILE 679 CO 0.05 0.24 -0.12 -0.69 0.00 0.00 0.00 174.94 174.42 1rrk s VAL 680 N -0.97 3.19 -0.39 2.92 1.01 -0.38 -0.71 120.40 125.07 1rrk s VAL 680 Ca 0.14 -0.63 -0.14 0.00 0.00 0.00 0.00 61.98 61.36 1rrk s VAL 680 Cb -0.10 -2.33 0.02 0.00 0.00 0.00 0.00 36.38 33.97 1rrk s VAL 680 CO 0.06 0.54 0.27 -2.28 0.00 0.00 0.00 175.10 173.68 1rrk s HIS 681 N 0.07 3.24 0.00 5.22 2.46 -1.26 -1.62 115.29 123.40 1rrk s HIS 681 Ca -0.05 -0.65 0.00 0.00 0.47 0.00 0.00 55.06 54.84 1rrk s HIS 681 Cb -0.14 -2.53 -0.00 0.00 -0.13 0.00 0.00 32.58 29.77 1rrk s HIS 681 CO 0.04 -0.58 -0.02 0.15 -2.47 0.00 0.00 174.74 171.86 1rrk s LYS 682 N 1.65 0.14 -1.44 2.88 1.02 -0.33 -4.83 119.74 118.84 1rrk s LYS 682 Ca 0.04 -0.10 -0.09 0.00 0.02 0.00 0.00 55.97 55.85 1rrk s LYS 682 Cb -0.19 -0.12 0.05 0.00 -0.52 0.00 0.00 37.83 37.06 1rrk s LYS 682 CO 0.09 0.03 0.68 0.54 -0.92 0.00 0.00 175.35 175.77 1rrk n ARG 683 N 2.94 -4.63 -1.43 1.68 5.12 -1.26 -0.18 116.66 118.91 1rrk n ARG 683 Ca -0.13 0.67 -0.15 0.00 -1.93 0.00 0.00 57.85 56.31 1rrk n ARG 683 Cb 0.59 -5.49 -0.06 0.00 -1.16 0.00 0.00 32.46 26.34 1rrk n ARG 683 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1rrk n SER 684 N -2.53 -5.31 -4.52 0.55 7.64 -1.26 -4.65 113.62 103.55 1rrk n SER 684 Ca -0.03 0.36 -0.25 0.00 1.01 0.00 0.00 58.87 59.96 1rrk n SER 684 Cb 0.57 -4.10 -0.10 0.00 -1.01 0.00 0.00 64.21 59.56 1rrk n SER 684 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1rrk s ARG 685 N -3.19 1.78 -0.19 1.43 1.81 0.74 -4.84 118.95 116.48 1rrk s ARG 685 Ca 0.00 -1.85 -0.02 0.00 -1.72 0.00 0.00 55.73 52.15 1rrk s ARG 685 Cb 0.00 -1.75 0.00 0.00 -0.45 0.00 0.00 34.95 32.75 1rrk s ARG 685 CO 0.00 0.23 -0.11 -0.06 -0.68 0.00 0.00 175.30 174.68 1rrk s PHE 686 N -2.56 2.87 -0.13 -0.53 0.40 -0.36 -1.19 117.98 116.48 1rrk s PHE 686 Ca 0.31 -1.17 0.01 0.00 -0.60 0.00 0.00 56.93 55.48 1rrk s PHE 686 Cb -0.01 -2.00 -0.01 0.00 0.51 0.00 0.00 43.02 41.51 1rrk s PHE 686 CO 0.16 -0.61 -0.16 0.42 0.70 0.00 0.00 175.22 175.73 1rrk s ILE 687 N 1.28 2.75 -0.12 0.64 -1.09 -0.64 -2.89 121.20 121.13 1rrk s ILE 687 Ca 0.03 -0.76 -0.26 0.00 -2.23 0.00 0.00 60.65 57.44 1rrk s ILE 687 Cb -0.14 -2.14 -0.02 0.00 -1.58 0.00 0.00 42.46 38.58 1rrk s ILE 687 CO -0.06 0.53 0.82 -1.58 -1.23 0.00 0.00 174.94 173.42 1rrk s GLN 688 N 0.49 4.37 -0.01 2.79 0.74 0.14 -1.25 119.66 126.93 1rrk s GLN 688 Ca -0.11 1.05 0.10 0.00 0.05 0.00 0.00 55.36 56.45 1rrk s GLN 688 Cb -0.16 -3.53 -0.14 0.00 1.10 0.00 0.00 33.01 30.28 1rrk s GLN 688 CO 0.05 -0.19 0.26 1.33 -0.55 0.00 0.00 175.29 176.19 1rrk n VAL 689 N 4.38 0.00 -3.99 1.34 0.24 -0.50 -3.95 118.33 115.85 1rrk n VAL 689 Ca 0.03 -0.24 -0.10 0.00 -2.04 0.00 0.00 64.34 62.00 1rrk n VAL 689 Cb 0.50 0.45 -0.04 0.00 -1.47 0.00 0.00 33.84 33.28 1rrk n VAL 689 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1rrk s GLY 690 N -2.84 0.66 -0.13 7.63 0.00 -0.97 -0.54 107.32 111.14 1rrk s GLY 690 Ca -0.02 -0.95 0.02 0.00 0.00 0.00 0.00 44.72 43.77 1rrk s GLY 690 CO 0.41 -0.63 -0.18 0.14 0.00 0.00 0.00 173.10 172.84 1rrk s VAL 691 N -3.64 1.75 0.02 1.40 1.01 -0.60 -0.88 120.40 119.46 1rrk s VAL 691 Ca 0.23 -0.79 -0.31 0.00 0.00 0.00 0.00 61.98 61.11 1rrk s VAL 691 Cb -0.01 -1.58 -0.10 0.00 0.00 0.00 0.00 36.38 34.69 1rrk s VAL 691 CO 0.11 0.49 1.93 -0.38 0.00 0.00 0.00 175.10 177.26 1rrk n ILE 692 N 4.23 0.67 -0.01 2.22 5.41 0.10 -0.78 119.36 131.20 1rrk n ILE 692 Ca -0.19 -0.12 -0.03 0.00 1.00 0.00 0.00 62.75 63.40 1rrk n ILE 692 Cb 0.51 -2.18 -0.01 0.00 -0.71 0.00 0.00 39.64 37.25 1rrk n ILE 692 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1rrk n SER 693 N 7.04 1.31 -3.77 4.38 2.88 -0.60 -1.06 113.62 123.79 1rrk n SER 693 Ca 0.20 0.20 -0.09 0.00 -1.33 0.00 0.00 58.87 57.86 1rrk n SER 693 Cb 0.38 -0.48 -0.03 0.00 -0.75 0.00 0.00 64.21 63.33 1rrk n SER 693 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1rrk s TRP 694 N -2.24 -0.17 0.18 0.66 1.48 -0.92 -4.86 118.94 113.06 1rrk s TRP 694 Ca -0.11 -0.21 0.02 0.00 -1.06 0.00 0.00 56.10 54.74 1rrk s TRP 694 Cb 0.02 0.55 -0.05 0.00 -1.16 0.00 0.00 33.47 32.83 1rrk s TRP 694 CO 0.17 -1.07 0.01 0.20 -4.06 0.00 0.00 176.95 172.19 1rrk s GLY 695 N -2.89 1.26 -0.06 3.67 0.00 -1.26 -0.17 107.32 107.86 1rrk s GLY 695 Ca 0.10 -1.61 -0.23 0.00 0.00 0.00 0.00 44.72 42.98 1rrk s GLY 695 CO 0.02 -1.53 0.89 -2.08 0.00 0.00 0.00 173.10 170.39 1rrk h VAL 696 N 2.67 1.57 -3.91 1.40 2.07 -1.56 -3.46 116.25 115.03 1rrk h VAL 696 Ca -0.37 -2.45 -0.62 0.00 0.82 0.00 0.00 66.70 64.08 1rrk h VAL 696 Cb 1.21 3.20 -0.31 0.00 -1.52 0.00 0.00 31.29 33.86 1rrk h VAL 696 CO 0.62 0.68 -0.86 -0.69 0.02 0.00 0.00 177.57 177.35 1rrk s VAL 697 N -2.45 1.70 -0.89 2.57 1.01 -1.26 -4.26 120.40 116.81 1rrk s VAL 697 Ca -0.15 -0.86 -0.20 0.00 0.00 0.00 0.00 61.98 60.77 1rrk s VAL 697 Cb 0.00 -1.45 0.10 0.00 0.00 0.00 0.00 36.38 35.04 1rrk s VAL 697 CO 0.80 0.48 1.15 -0.62 0.00 0.00 0.00 175.10 176.91 1rrk s ASP 698 N -0.02 6.51 -0.20 3.32 3.68 -1.26 -4.85 116.67 123.86 1rrk s ASP 698 Ca -0.05 -1.72 0.10 0.00 2.13 0.00 0.00 52.55 53.01 1rrk s ASP 698 Cb -0.13 -2.43 0.62 0.00 -1.45 0.00 0.00 42.92 39.53 1rrk s ASP 698 CO 0.03 -1.22 1.49 1.33 0.13 0.00 0.00 175.17 176.93 1rrk n VAL 699 N 5.82 2.19 -2.77 1.11 0.24 -1.26 -5.16 118.33 118.50 1rrk n VAL 699 Ca 0.20 -1.12 -0.29 0.00 -2.04 0.00 0.00 64.34 61.09 1rrk n VAL 699 Cb 0.49 -0.36 -0.02 0.00 -1.47 0.00 0.00 33.84 32.47 1rrk n VAL 699 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1rrk n VAL 709 N -0.30 0.00 -1.80 0.00 0.24 -1.26 -4.99 118.33 110.21 1rrk n VAL 709 Ca 0.35 0.00 -0.37 0.00 -2.04 0.00 0.00 64.34 62.28 1rrk n VAL 709 Cb 0.44 0.00 0.05 0.00 -1.47 0.00 0.00 33.84 32.86 1rrk n VAL 709 CO 0.00 0.00 0.00 -2.84 -2.14 0.00 0.00 176.83 171.85 1rrk s PRO 710 N -2.00 2.80 0.39 7.34 0.02 -1.26 -4.91 135.00 137.39 1rrk s PRO 710 Ca 0.00 2.08 0.28 0.00 0.02 0.00 0.00 61.00 63.38 1rrk s PRO 710 Cb 0.00 -1.99 1.16 0.00 0.02 0.00 0.00 34.50 33.70 1rrk s PRO 710 CO 0.00 -1.41 1.84 0.00 -0.33 0.00 0.00 177.00 177.10 1rrk h ALA 711 N 0.89 1.00 -0.60 -1.55 0.00 -2.03 -2.49 119.26 114.48 1rrk h ALA 711 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1rrk h ALA 711 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1rrk h ALA 711 CO 0.55 0.00 0.00 -2.39 0.00 0.00 0.00 179.25 177.41 1rrk n HIS 712 N -2.63 1.47 -2.54 0.00 1.44 -1.26 -4.42 115.22 107.28 1rrk n HIS 712 Ca 0.01 -0.57 -0.42 0.00 -2.01 0.00 0.00 57.72 54.74 1rrk n HIS 712 Cb 0.27 -0.27 -0.01 0.00 0.12 0.00 0.00 29.99 30.09 1rrk n HIS 712 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1rrk s ALA 713 N -1.95 3.06 0.26 1.59 0.00 -0.94 -4.72 121.76 119.06 1rrk s ALA 713 Ca 0.48 -2.69 0.06 0.00 0.00 0.00 0.00 51.96 49.81 1rrk s ALA 713 Cb 0.32 -4.62 -0.03 0.00 0.00 0.00 0.00 23.12 18.79 1rrk s ALA 713 CO 0.22 -3.50 0.33 1.03 0.00 0.00 0.00 175.76 173.84 1rrk s ARG 714 N 4.58 3.26 -0.03 0.00 1.81 -1.26 -3.34 118.95 123.96 1rrk s ARG 714 Ca 0.53 -0.88 0.04 0.00 -1.72 0.00 0.00 55.73 53.70 1rrk s ARG 714 Cb 0.03 -2.79 -0.00 0.00 -0.45 0.00 0.00 34.95 31.73 1rrk s ARG 714 CO 0.03 0.37 -0.14 -0.51 -0.68 0.00 0.00 175.30 174.38 1rrk s ASP 715 N -3.97 1.78 -0.06 0.23 1.01 0.09 -1.46 116.67 114.30 1rrk s ASP 715 Ca 0.35 -0.28 0.02 0.00 0.71 0.00 0.00 52.55 53.35 1rrk s ASP 715 Cb -0.09 -0.41 -0.03 0.00 1.01 0.00 0.00 42.92 43.40 1rrk s ASP 715 CO 0.28 0.14 -0.10 -0.36 0.21 0.00 0.00 175.17 175.33 1rrk s PHE 716 N -0.01 2.82 0.06 4.23 0.40 0.76 -0.95 117.98 125.29 1rrk s PHE 716 Ca -0.01 -0.06 0.05 0.00 -0.60 0.00 0.00 56.93 56.30 1rrk s PHE 716 Cb -0.09 -1.67 -0.03 0.00 0.51 0.00 0.00 43.02 41.74 1rrk s PHE 716 CO 0.01 0.27 -0.13 -1.01 0.70 0.00 0.00 175.22 175.05 1rrk s HIS 717 N -0.78 1.13 -0.16 0.36 3.76 -0.62 -1.56 115.29 117.42 1rrk s HIS 717 Ca 0.12 -0.44 -0.29 0.00 -0.15 0.00 0.00 55.06 54.30 1rrk s HIS 717 Cb -0.11 -0.65 -0.00 0.00 1.11 0.00 0.00 32.58 32.93 1rrk s HIS 717 CO 0.01 0.03 1.07 0.42 -0.85 0.00 0.00 174.74 175.43 1rrk s ILE 718 N -1.18 4.62 -0.25 0.60 -1.09 0.04 -0.53 121.20 123.41 1rrk s ILE 718 Ca -0.02 1.93 -0.29 0.00 -2.23 0.00 0.00 60.65 60.04 1rrk s ILE 718 Cb -0.09 -4.24 -0.02 0.00 -1.58 0.00 0.00 42.46 36.52 1rrk s ILE 718 CO 0.02 -0.09 1.56 0.21 -1.23 0.00 0.00 174.94 175.41 1rrk s ASN 719 N 1.29 6.39 0.52 3.58 3.84 0.14 -1.56 114.94 129.14 1rrk s ASN 719 Ca 0.48 1.48 0.20 0.00 0.21 0.00 0.00 52.86 55.24 1rrk s ASN 719 Cb -0.18 -2.53 1.36 0.00 -0.55 0.00 0.00 41.25 39.34 1rrk s ASN 719 CO 0.13 -1.27 2.12 -0.07 -2.79 0.00 0.00 177.10 175.22 1rrk h LEU 720 N 11.74 0.00 -2.16 3.21 3.38 -1.14 -0.44 115.31 129.90 1rrk h LEU 720 Ca -0.32 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 1rrk h LEU 720 Cb 1.14 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 1rrk h LEU 720 CO 1.01 0.07 -0.06 -0.26 0.09 0.00 0.00 178.44 179.29 1rrk h PHE 721 N 0.00 0.00 -0.01 1.13 -1.00 -1.90 -1.88 116.94 113.27 1rrk h PHE 721 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1rrk h PHE 721 Cb 0.14 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.70 1rrk h PHE 721 CO 0.00 0.06 -0.03 1.04 -1.61 0.00 0.00 178.31 177.76 1rrk n GLN 722 N -3.44 1.37 -0.65 1.51 1.13 -0.17 -3.83 117.38 113.28 1rrk n GLN 722 Ca -0.02 -0.66 0.05 0.00 -1.94 0.00 0.00 57.00 54.43 1rrk n GLN 722 Cb 0.19 -1.49 0.08 0.00 0.11 0.00 0.00 30.24 29.14 1rrk n GLN 722 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 1rrk n VAL 723 N -0.24 0.95 -0.24 5.09 0.24 -0.72 -4.88 118.33 118.53 1rrk n VAL 723 Ca 0.19 -1.51 -0.02 0.00 -2.04 0.00 0.00 64.34 60.96 1rrk n VAL 723 Cb 0.30 0.28 0.09 0.00 -1.47 0.00 0.00 33.84 33.04 1rrk n VAL 723 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1rrk h LEU 724 N 0.45 0.62 -1.17 1.34 3.38 -1.63 -1.90 115.31 116.40 1rrk h LEU 724 Ca -0.06 0.02 0.13 0.00 0.09 0.00 0.00 57.88 58.07 1rrk h LEU 724 Cb 1.33 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 41.90 1rrk h LEU 724 CO 0.02 0.41 0.60 -0.65 0.09 0.00 0.00 178.44 178.91 1rrk h PRO 725 N 0.75 0.80 -0.08 1.13 0.11 -1.90 0.41 132.00 133.21 1rrk h PRO 725 Ca 0.29 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 66.26 1rrk h PRO 725 Cb 0.13 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.06 1rrk h PRO 725 CO -0.16 0.53 -0.34 2.35 -0.21 0.00 0.00 178.00 180.18 1rrk h TRP 726 N 0.82 0.49 -0.17 0.65 7.01 -1.86 -2.10 115.95 120.80 1rrk h TRP 726 Ca 0.47 -0.21 0.01 0.00 2.11 0.00 0.00 58.89 61.27 1rrk h TRP 726 Cb 0.62 -0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 27.59 1rrk h TRP 726 CO -0.00 0.95 0.08 -0.07 -2.79 0.00 0.00 178.44 176.61 1rrk h LEU 727 N -0.10 0.13 -1.00 0.65 3.38 -0.65 -0.46 115.31 117.26 1rrk h LEU 727 Ca -0.02 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.02 1rrk h LEU 727 Cb 0.98 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.64 1rrk h LEU 727 CO 0.07 0.10 0.64 0.50 0.09 0.00 0.00 178.44 179.85 1rrk h LYS 728 N 0.18 1.14 0.01 1.13 3.64 -0.26 -0.45 116.57 121.97 1rrk h LYS 728 Ca 0.07 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1rrk h LYS 728 Cb 0.01 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.57 1rrk h LYS 728 CO -0.04 0.76 -0.01 1.49 -2.27 0.00 0.00 179.45 179.38 1rrk h GLU 729 N 1.18 -0.02 0.00 1.90 4.57 -0.87 -1.78 114.58 119.56 1rrk h GLU 729 Ca 0.43 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.57 1rrk h GLU 729 Cb 0.15 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 1rrk h GLU 729 CO -0.17 0.47 -0.18 0.87 -1.18 0.00 0.00 179.01 178.83 1rrk h LYS 730 N -0.52 0.00 -0.38 1.92 1.79 -0.96 -3.19 116.57 115.23 1rrk h LYS 730 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1rrk h LYS 730 Cb 0.50 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 1rrk h LYS 730 CO 0.00 0.18 0.00 1.28 -1.08 0.00 0.00 179.45 179.83 1rrk n LEU 731 N -3.26 3.29 0.01 2.94 4.77 -0.19 -4.69 117.00 119.87 1rrk n LEU 731 Ca 0.01 -2.20 0.22 0.00 -0.03 0.00 0.00 56.01 54.01 1rrk n LEU 731 Cb 0.46 -0.33 0.72 0.00 -2.33 0.00 0.00 43.42 41.95 1rrk n LEU 731 CO 0.33 0.75 1.20 0.06 -1.33 0.00 0.00 177.39 178.40 1rrk h GLN 732 N 2.30 0.00 -0.48 3.23 3.07 -1.30 -0.38 115.11 121.54 1rrk h GLN 732 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1rrk h GLN 732 Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.48 1rrk h GLN 732 CO 0.05 0.00 0.00 -0.25 0.09 0.00 0.00 178.83 178.72 1rrk n ASP 733 N -4.09 3.61 -0.48 0.06 10.43 -1.26 -4.46 116.55 120.36 1rrk n ASP 733 Ca 0.10 -1.99 0.07 0.00 2.57 0.00 0.00 54.79 55.54 1rrk n ASP 733 Cb 0.67 -0.31 0.26 0.00 1.84 0.00 0.00 41.12 43.58 1rrk n ASP 733 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1rrk n GLU 734 N 1.54 1.61 -3.63 -1.24 -0.58 -0.15 -4.93 120.64 113.26 1rrk n GLU 734 Ca 0.21 -0.94 -0.23 0.00 -0.42 0.00 0.00 57.16 55.78 1rrk n GLU 734 Cb 0.61 -1.29 0.07 0.00 -0.57 0.00 0.00 31.44 30.26 1rrk n GLU 734 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1rrk n ASP 735 N 0.21 -4.37 -0.00 1.62 -0.08 -1.26 -4.88 116.55 107.79 1rrk n ASP 735 Ca 0.12 -0.64 0.10 0.00 -1.51 0.00 0.00 54.79 52.86 1rrk n ASP 735 Cb 0.25 -4.73 -0.12 0.00 2.34 0.00 0.00 41.12 38.86 1rrk n ASP 735 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1rrk n LEU 736 N -4.64 0.83 -3.34 -2.67 4.77 -1.26 -5.03 117.00 105.66 1rrk n LEU 736 Ca -0.10 -0.44 -0.17 0.00 -0.03 0.00 0.00 56.01 55.27 1rrk n LEU 736 Cb 0.60 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.76 1rrk n LEU 736 CO 0.66 0.21 0.04 0.61 -1.33 0.00 0.00 177.39 177.58 1rrk n GLY 737 N 1.45 -0.95 3.76 -0.72 0.00 -1.26 -3.55 105.19 103.93 1rrk n GLY 737 Ca 0.03 0.46 -0.38 0.00 0.00 0.00 0.00 46.02 46.13 1rrk n GLY 737 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rrk s PHE 738 N -3.40 2.60 -2.00 1.61 0.40 -1.26 -0.74 117.98 115.18 1rrk s PHE 738 Ca 0.35 1.45 0.24 0.00 -0.60 0.00 0.00 56.93 58.36 1rrk s PHE 738 Cb -0.05 -3.61 1.43 0.00 0.51 0.00 0.00 43.02 41.30 1rrk s PHE 738 CO 0.75 -2.21 1.79 1.28 0.70 0.00 0.00 175.22 177.53