#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2win n ILE 236 N 0.00 0.00 -1.45 3.15 3.06 -1.26 -4.86 119.36 118.00 2win n ILE 236 Ca 0.00 0.00 -0.40 0.00 -2.50 0.00 0.00 62.75 59.85 2win n ILE 236 Cb 0.00 0.00 0.02 0.00 0.54 0.00 0.00 39.64 40.20 2win n ILE 236 CO 0.00 0.00 0.00 1.33 -2.50 0.00 0.00 176.55 175.38 2win n VAL 237 N 0.00 1.89 -3.51 9.51 0.24 -1.26 -4.05 118.33 121.14 2win n VAL 237 Ca 0.00 -0.50 -0.29 0.00 -2.04 0.00 0.00 64.34 61.51 2win n VAL 237 Cb 0.00 -0.59 -0.13 0.00 -1.47 0.00 0.00 33.84 31.64 2win n VAL 237 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2win s LEU 238 N 1.43 0.96 -0.26 1.34 1.98 -1.25 -4.98 118.68 117.90 2win s LEU 238 Ca 0.65 -1.88 -0.26 0.00 -2.89 0.00 0.00 54.13 49.75 2win s LEU 238 Cb -0.51 -0.43 0.13 0.00 0.66 0.00 0.00 46.19 46.04 2win s LEU 238 CO 0.57 -0.36 1.04 1.51 -1.89 0.00 0.00 176.35 177.22 2win s ASP 239 N 1.41 -0.42 0.00 3.68 1.47 -1.26 -3.98 116.67 117.57 2win s ASP 239 Ca 0.15 0.74 0.13 0.00 1.18 0.00 0.00 52.55 54.75 2win s ASP 239 Cb -0.21 0.72 0.68 0.00 -0.34 0.00 0.00 42.92 43.78 2win s ASP 239 CO -0.13 -0.19 1.34 -2.65 0.68 0.00 0.00 175.17 174.22 2win n PRO 240 N 1.86 0.21 0.00 2.11 -0.02 -1.26 -3.03 135.00 134.87 2win n PRO 240 Ca -0.12 0.15 0.04 0.00 -2.02 0.00 0.00 63.50 61.55 2win n PRO 240 Cb 0.56 -1.50 0.24 0.00 -0.02 0.00 0.00 33.50 32.78 2win n PRO 240 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2win n SER 241 N -1.26 0.00 -3.63 2.55 3.41 -1.26 -4.66 113.62 108.76 2win n SER 241 Ca 0.07 -0.77 -0.08 0.00 -0.26 0.00 0.00 58.87 57.84 2win n SER 241 Cb 0.10 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.98 2win n SER 241 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2win s GLY 242 N -1.74 -0.03 0.59 5.00 0.00 -1.17 -5.15 107.32 104.83 2win s GLY 242 Ca 0.12 2.83 -0.18 0.00 0.00 0.00 0.00 44.72 47.50 2win s GLY 242 CO 0.09 1.76 1.12 -1.35 0.00 0.00 0.00 173.10 174.73 2win s SER 243 N 0.01 5.47 0.20 1.64 1.04 -1.26 -4.80 113.70 115.99 2win s SER 243 Ca 0.04 2.11 0.01 0.00 0.48 0.00 0.00 55.95 58.58 2win s SER 243 Cb -0.04 -2.57 -0.05 0.00 0.10 0.00 0.00 66.02 63.46 2win s SER 243 CO -0.08 -1.39 0.06 -0.32 0.98 0.00 0.00 173.24 172.50 2win s MET 244 N -3.61 1.20 -0.01 4.02 0.00 -1.26 -2.21 119.30 117.42 2win s MET 244 Ca 0.70 -1.61 0.01 0.00 0.00 0.00 0.00 55.69 54.79 2win s MET 244 Cb -0.23 -0.11 0.01 0.00 0.00 0.00 0.00 34.83 34.51 2win s MET 244 CO 0.33 -0.25 -0.01 -0.80 0.00 0.00 0.00 175.02 174.29 2win s ASN 245 N -3.20 0.31 -0.34 1.11 0.01 -0.33 -1.66 114.94 110.83 2win s ASN 245 Ca 0.31 -0.03 0.03 0.00 -0.71 0.00 0.00 52.86 52.46 2win s ASN 245 Cb 0.07 -0.10 0.10 0.00 0.41 0.00 0.00 41.25 41.73 2win s ASN 245 CO 0.08 -0.03 0.08 -0.63 -1.51 0.00 0.00 177.10 175.09 2win s ILE 246 N 0.43 1.89 -0.68 0.60 1.01 -1.25 -1.24 121.20 121.95 2win s ILE 246 Ca -0.04 -2.14 -0.23 0.00 0.00 0.00 0.00 60.65 58.24 2win s ILE 246 Cb -0.07 -2.40 0.07 0.00 0.01 0.00 0.00 42.46 40.07 2win s ILE 246 CO -0.01 -0.64 1.00 -0.31 0.00 0.00 0.00 174.94 174.98 2win s TYR 247 N 1.02 2.66 -0.59 3.97 1.51 0.60 -1.30 117.35 125.23 2win s TYR 247 Ca 0.11 -0.55 -0.22 0.00 -1.01 0.00 0.00 57.07 55.40 2win s TYR 247 Cb -0.19 -4.32 0.06 0.00 -0.11 0.00 0.00 41.96 37.39 2win s TYR 247 CO -0.12 -1.68 0.88 -0.51 -1.11 0.00 0.00 175.55 173.01 2win s LEU 248 N 4.15 4.44 -0.19 -1.29 1.43 0.22 -0.81 118.68 126.62 2win s LEU 248 Ca 0.24 -0.76 -0.07 0.00 -1.03 0.00 0.00 54.13 52.51 2win s LEU 248 Cb -0.16 -2.57 -0.04 0.00 0.03 0.00 0.00 46.19 43.45 2win s LEU 248 CO 0.09 -1.24 0.06 -0.69 0.23 0.00 0.00 176.35 174.80 2win s VAL 249 N 3.68 4.69 -0.04 -1.59 1.01 -1.05 -1.63 120.40 125.47 2win s VAL 249 Ca 0.23 -0.07 0.05 0.00 0.00 0.00 0.00 61.98 62.19 2win s VAL 249 Cb -0.16 -3.12 -0.01 0.00 0.00 0.00 0.00 36.38 33.09 2win s VAL 249 CO 0.14 0.44 -0.18 -0.22 0.00 0.00 0.00 175.10 175.28 2win s LEU 250 N 0.56 1.94 -0.08 3.92 2.96 -0.97 -1.12 118.68 125.90 2win s LEU 250 Ca 0.03 -0.36 -0.20 0.00 -0.22 0.00 0.00 54.13 53.38 2win s LEU 250 Cb -0.13 -0.99 -0.04 0.00 0.50 0.00 0.00 46.19 45.53 2win s LEU 250 CO 0.01 0.17 0.56 -0.62 -1.32 0.00 0.00 176.35 175.15 2win s ASP 251 N -0.05 6.83 -0.13 3.68 3.68 -1.02 -1.31 116.67 128.36 2win s ASP 251 Ca -0.02 0.99 0.16 0.00 2.13 0.00 0.00 52.55 55.81 2win s ASP 251 Cb -0.11 -2.33 0.40 0.00 -1.45 0.00 0.00 42.92 39.43 2win s ASP 251 CO 0.02 0.00 1.19 0.61 0.13 0.00 0.00 175.17 177.12 2win n GLY 252 N 3.00 3.59 3.96 2.66 0.00 -0.79 -4.93 105.19 112.68 2win n GLY 252 Ca -0.06 -1.10 -0.25 0.00 0.00 0.00 0.00 46.02 44.61 2win n GLY 252 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2win s SER 253 N -2.72 4.23 0.50 1.61 1.04 -1.26 -4.89 113.70 112.19 2win s SER 253 Ca 0.35 0.02 0.15 0.00 0.48 0.00 0.00 55.95 56.94 2win s SER 253 Cb 0.36 -0.42 1.19 0.00 0.10 0.00 0.00 66.02 67.25 2win s SER 253 CO -0.09 -1.96 2.12 0.44 0.98 0.00 0.00 173.24 174.72 2win h ASP 254 N -0.78 0.11 0.50 7.02 3.45 -1.91 -2.18 116.42 122.63 2win h ASP 254 Ca -0.41 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.05 2win h ASP 254 Cb 1.27 -0.03 0.00 0.00 -0.56 0.00 0.00 39.33 40.02 2win h ASP 254 CO 0.45 0.08 0.00 0.77 -1.57 0.00 0.00 179.24 178.97 2win h SER 255 N 0.12 0.00 0.00 6.45 4.64 -1.93 -3.02 113.55 119.81 2win h SER 255 Ca 0.05 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.35 2win h SER 255 Cb 0.07 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.15 2win h SER 255 CO -0.01 0.00 -0.16 0.40 -0.87 0.00 0.00 176.83 176.19 2win h ILE 256 N 0.00 0.92 0.00 0.95 1.08 -1.75 -3.41 117.51 115.30 2win h ILE 256 Ca 0.00 -1.74 0.00 0.00 -0.39 0.00 0.00 64.86 62.73 2win h ILE 256 Cb 0.25 1.79 0.00 0.00 -3.07 0.00 0.00 36.82 35.79 2win h ILE 256 CO 0.00 0.31 0.00 0.61 -0.69 0.00 0.00 178.15 178.38 2win n GLY 257 N 1.65 -0.77 0.19 5.37 0.00 -1.14 -4.24 105.19 106.26 2win n GLY 257 Ca -0.08 -1.58 0.05 0.00 0.00 0.00 0.00 46.02 44.40 2win n GLY 257 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2win h ALA 258 N 0.00 1.13 0.00 4.61 0.00 -1.94 -1.54 119.26 121.52 2win h ALA 258 Ca 0.00 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.52 2win h ALA 258 Cb 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2win h ALA 258 CO 0.00 0.45 -0.28 1.03 0.00 0.00 0.00 179.25 180.45 2win h SER 259 N 0.00 0.00 0.00 0.00 0.87 -2.01 -2.84 113.55 109.57 2win h SER 259 Ca -0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 2win h SER 259 Cb 0.77 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.73 2win h SER 259 CO 0.05 0.28 -1.64 0.59 -0.53 0.00 0.00 176.83 175.58 2win n ASN 260 N -3.34 1.94 0.03 6.23 5.03 -1.15 -3.97 115.26 120.03 2win n ASN 260 Ca 0.01 0.00 -0.17 0.00 0.87 0.00 0.00 54.58 55.29 2win n ASN 260 Cb 0.51 1.53 -0.07 0.00 -1.02 0.00 0.00 39.78 40.73 2win n ASN 260 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.26 175.58 2win h PHE 261 N 0.00 0.92 -0.46 3.10 3.04 -1.34 0.11 116.94 122.31 2win h PHE 261 Ca -0.03 -0.46 -0.11 0.00 3.98 0.00 0.00 57.97 61.35 2win h PHE 261 Cb 0.73 -0.12 -0.02 0.00 2.56 0.00 0.00 35.95 39.10 2win h PHE 261 CO 0.00 1.28 -0.14 1.15 -2.02 0.00 0.00 178.31 178.59 2win h THR 262 N 0.40 1.26 0.00 4.41 2.02 -1.73 -2.22 112.91 117.05 2win h THR 262 Ca -0.09 -1.24 0.00 0.00 0.77 0.00 0.00 66.41 65.85 2win h THR 262 Cb 1.54 1.05 0.00 0.00 -1.74 0.00 0.00 68.15 69.01 2win h THR 262 CO 0.17 0.43 0.00 1.23 0.37 0.00 0.00 175.52 177.72 2win h GLY 263 N 0.96 0.00 2.00 2.16 0.00 -1.67 -2.97 103.07 103.55 2win h GLY 263 Ca 0.12 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.30 2win h GLY 263 CO 0.05 0.00 -0.71 0.00 0.00 0.00 0.00 176.54 175.87 2win h ALA 264 N 2.08 0.79 -0.11 3.60 0.00 -0.20 -2.86 119.26 122.57 2win h ALA 264 Ca 0.00 -0.65 -0.17 0.00 0.00 0.00 0.00 54.91 54.09 2win h ALA 264 Cb 0.74 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.43 2win h ALA 264 CO 0.00 0.89 -0.58 0.87 0.00 0.00 0.00 179.25 180.43 2win h LYS 265 N 0.00 0.58 -0.81 0.00 1.57 -1.30 -3.07 116.57 113.54 2win h LYS 265 Ca -0.01 -0.48 0.15 0.00 -1.87 0.00 0.00 60.65 58.44 2win h LYS 265 Cb 1.29 0.10 -0.06 0.00 0.08 0.00 0.00 32.23 33.64 2win h LYS 265 CO 0.09 1.11 0.53 0.87 -0.57 0.00 0.00 179.45 181.48 2win h LYS 266 N 0.21 0.50 -1.83 3.15 1.79 -1.51 0.47 116.57 119.34 2win h LYS 266 Ca -0.04 -0.03 -0.34 0.00 -2.18 0.00 0.00 60.65 58.05 2win h LYS 266 Cb 1.23 -0.11 -0.13 0.00 -1.58 0.00 0.00 32.23 31.64 2win h LYS 266 CO 0.12 0.33 0.24 0.00 -1.08 0.00 0.00 179.45 179.06 2win n LEU 268 N 1.01 0.00 0.13 0.00 4.77 -0.32 -4.84 117.00 117.75 2win n LEU 268 Ca 0.37 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 56.21 2win n LEU 268 Cb 0.62 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.62 2win n LEU 268 CO 0.28 0.00 0.64 0.58 -1.33 0.00 0.00 177.39 177.56 2win h VAL 269 N 0.00 0.83 0.00 4.08 2.07 -0.98 -1.89 116.25 120.36 2win h VAL 269 Ca 0.00 -0.50 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 2win h VAL 269 Cb 0.00 1.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 2win h VAL 269 CO 0.00 0.11 -0.13 0.78 0.02 0.00 0.00 177.57 178.35 2win h ASN 270 N -0.57 0.00 0.15 0.57 -0.26 -1.74 -2.73 115.58 111.00 2win h ASN 270 Ca -0.03 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.70 2win h ASN 270 Cb 0.42 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.68 2win h ASN 270 CO 0.05 0.13 -0.07 0.25 -1.06 0.00 0.00 177.43 176.73 2win h LEU 271 N 0.00 -0.17 -1.28 1.61 5.85 -1.76 -2.12 115.31 117.44 2win h LEU 271 Ca -0.00 -0.30 0.15 0.00 0.84 0.00 0.00 57.88 58.57 2win h LEU 271 Cb 0.30 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.30 2win h LEU 271 CO 0.02 0.24 0.58 0.40 -0.34 0.00 0.00 178.44 179.34 2win h ILE 272 N -0.60 0.81 -0.33 4.05 2.04 -1.10 0.28 117.51 122.66 2win h ILE 272 Ca -0.02 -0.23 -0.08 0.00 1.00 0.00 0.00 64.86 65.53 2win h ILE 272 Cb 0.46 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 2win h ILE 272 CO 0.03 0.12 -0.11 -0.08 0.00 0.00 0.00 178.15 178.11 2win h GLU 273 N 0.67 0.66 0.00 2.37 4.57 -1.44 0.73 114.58 122.15 2win h GLU 273 Ca 0.46 -0.27 0.00 0.00 -1.18 0.00 0.00 59.36 58.38 2win h GLU 273 Cb 0.78 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.34 2win h GLU 273 CO -0.22 0.85 0.00 -0.22 -1.18 0.00 0.00 179.01 178.24 2win h LYS 274 N 0.43 0.00 0.17 1.92 3.64 -0.50 -0.94 116.57 121.29 2win h LYS 274 Ca 0.08 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.10 2win h LYS 274 Cb 0.63 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 2win h LYS 274 CO 0.04 0.00 -1.82 0.28 -2.27 0.00 0.00 179.45 175.68 2win h VAL 275 N 0.00 0.85 0.00 2.00 2.07 -0.31 -3.35 116.25 117.51 2win h VAL 275 Ca 0.00 -2.48 -0.05 0.00 0.82 0.00 0.00 66.70 64.99 2win h VAL 275 Cb 0.67 2.69 -0.01 0.00 -1.52 0.00 0.00 31.29 33.12 2win h VAL 275 CO 0.00 0.87 -0.24 0.00 0.02 0.00 0.00 177.57 178.22 2win h ALA 276 N 0.13 0.92 0.00 1.67 0.00 -0.78 -2.96 119.26 118.24 2win h ALA 276 Ca -0.36 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.30 2win h ALA 276 Cb 2.08 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.83 2win h ALA 276 CO 0.15 0.30 -0.13 0.66 0.00 0.00 0.00 179.25 180.23 2win h SER 277 N 0.00 0.00 1.53 0.00 4.64 -1.30 -1.28 113.55 117.15 2win h SER 277 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2win h SER 277 Cb 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 2win h SER 277 CO 0.03 0.13 -0.07 1.88 -0.87 0.00 0.00 176.83 177.93 2win h TYR 278 N 0.00 0.00 0.00 4.77 -1.99 -1.66 -3.48 116.97 114.61 2win h TYR 278 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2win h TYR 278 Cb 0.35 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.08 2win h TYR 278 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.57 2win n GLY 279 N 1.26 2.89 3.72 3.88 0.00 -0.48 -5.01 105.19 111.45 2win n GLY 279 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 2win n GLY 279 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2win n VAL 280 N -0.96 3.68 -3.85 1.61 0.31 -1.26 -4.95 118.33 112.91 2win n VAL 280 Ca 0.00 -0.50 -0.28 0.00 -0.01 0.00 0.00 64.34 63.55 2win n VAL 280 Cb 0.00 -1.59 -0.12 0.00 -0.91 0.00 0.00 33.84 31.22 2win n VAL 280 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2win s LYS 281 N -2.79 2.13 0.43 5.55 1.02 -1.26 -4.55 119.74 120.28 2win s LYS 281 Ca 0.71 -2.99 -0.22 0.00 0.02 0.00 0.00 55.97 53.49 2win s LYS 281 Cb -0.43 -3.13 -0.09 0.00 -0.52 0.00 0.00 37.83 33.66 2win s LYS 281 CO 0.50 -1.25 1.01 -2.14 -0.92 0.00 0.00 175.35 172.55 2win s PRO 282 N -0.95 4.08 -1.09 -1.68 0.02 -1.26 -4.64 135.00 129.48 2win s PRO 282 Ca 0.23 1.35 -0.20 0.00 0.02 0.00 0.00 61.00 62.41 2win s PRO 282 Cb -0.10 -2.31 0.09 0.00 0.02 0.00 0.00 34.50 32.21 2win s PRO 282 CO -0.12 -0.19 1.44 1.03 -0.33 0.00 0.00 177.00 178.82 2win s ARG 283 N -2.89 3.75 0.49 5.54 0.52 -0.67 -4.38 118.95 121.31 2win s ARG 283 Ca 0.62 -1.67 -0.24 0.00 -0.52 0.00 0.00 55.73 53.92 2win s ARG 283 Cb -0.17 -5.25 -0.07 0.00 0.52 0.00 0.00 34.95 29.98 2win s ARG 283 CO 0.21 -2.06 1.37 0.66 0.02 0.00 0.00 175.30 175.51 2win n TYR 284 N 7.77 2.42 -4.51 -0.53 4.01 0.25 -3.83 117.16 122.75 2win n TYR 284 Ca 0.35 0.44 -0.23 0.00 -0.16 0.00 0.00 57.90 58.30 2win n TYR 284 Cb 0.48 -2.40 -0.16 0.00 -0.31 0.00 0.00 39.34 36.95 2win n TYR 284 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2win s GLY 285 N -0.67 0.70 -0.16 2.72 0.00 -0.42 -4.09 107.32 105.40 2win s GLY 285 Ca 0.66 -0.37 -0.01 0.00 0.00 0.00 0.00 44.72 45.00 2win s GLY 285 CO 0.54 0.07 -0.04 -2.27 0.00 0.00 0.00 173.10 171.41 2win s LEU 286 N 0.53 1.45 -0.17 0.66 2.96 -0.95 0.68 118.68 123.84 2win s LEU 286 Ca -0.11 -0.62 -0.03 0.00 -0.22 0.00 0.00 54.13 53.15 2win s LEU 286 Cb -0.14 -0.82 0.06 0.00 0.50 0.00 0.00 46.19 45.79 2win s LEU 286 CO 0.02 -0.20 0.05 -0.69 -1.32 0.00 0.00 176.35 174.21 2win s VAL 287 N 1.70 0.30 -0.07 1.68 1.01 -0.64 -0.63 120.40 123.75 2win s VAL 287 Ca 0.01 -0.36 -0.20 0.00 0.00 0.00 0.00 61.98 61.43 2win s VAL 287 Cb -0.15 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 2win s VAL 287 CO -0.07 -0.19 0.57 0.42 0.00 0.00 0.00 175.10 175.83 2win s THR 288 N 1.96 5.07 0.12 3.92 -4.23 -1.16 -2.30 115.64 119.02 2win s THR 288 Ca 0.01 1.17 0.05 0.00 -1.18 0.00 0.00 61.69 61.73 2win s THR 288 Cb -0.16 -3.91 -0.04 0.00 1.34 0.00 0.00 72.50 69.73 2win s THR 288 CO -0.08 0.34 -0.12 -0.72 -0.54 0.00 0.00 174.62 173.50 2win s TYR 289 N 0.42 1.27 0.00 3.99 1.13 -0.42 0.24 117.35 123.97 2win s TYR 289 Ca 0.31 -0.62 0.00 0.00 -1.41 0.00 0.00 57.07 55.34 2win s TYR 289 Cb -0.17 -0.67 0.00 0.00 -1.10 0.00 0.00 41.96 40.03 2win s TYR 289 CO 0.14 0.09 0.00 0.00 -2.51 0.00 0.00 175.55 173.27 2win n ALA 290 N 0.41 1.31 -0.06 9.51 0.00 -1.26 -1.89 120.51 128.53 2win n ALA 290 Ca -0.15 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.23 2win n ALA 290 Cb 0.58 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.94 2win n ALA 290 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2win n THR 291 N -0.80 0.81 -3.73 0.00 -1.04 -1.21 0.40 114.28 108.72 2win n THR 291 Ca 0.00 -0.50 -0.24 0.00 -2.04 0.00 0.00 64.05 61.27 2win n THR 291 Cb 0.00 -0.69 -0.17 0.00 -1.82 0.00 0.00 70.33 67.65 2win n THR 291 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 2win s TYR 292 N -2.29 0.61 1.08 -1.42 1.51 -1.26 -4.73 117.35 110.85 2win s TYR 292 Ca -0.06 -0.30 -0.12 0.00 -1.01 0.00 0.00 57.07 55.58 2win s TYR 292 Cb 0.04 -0.80 0.23 0.00 -0.11 0.00 0.00 41.96 41.31 2win s TYR 292 CO 0.48 -0.40 1.01 -2.30 -1.11 0.00 0.00 175.55 173.23 2win n PRO 293 N 5.16 -1.65 -3.68 -1.71 -0.02 -1.26 -4.78 135.00 127.06 2win n PRO 293 Ca -0.07 -0.44 -0.29 0.00 -2.02 0.00 0.00 63.50 60.68 2win n PRO 293 Cb 0.49 -2.22 -0.15 0.00 -0.02 0.00 0.00 33.50 31.60 2win n PRO 293 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2win s LYS 294 N -4.43 0.54 -0.47 -0.52 2.20 0.14 -4.94 119.74 112.25 2win s LYS 294 Ca 0.67 -0.76 -0.27 0.00 -0.36 0.00 0.00 55.97 55.25 2win s LYS 294 Cb -0.24 -1.78 -0.02 0.00 -1.51 0.00 0.00 37.83 34.28 2win s LYS 294 CO 0.63 -0.92 1.83 0.42 -0.36 0.00 0.00 175.35 176.94 2win s ILE 295 N 1.82 3.43 -0.13 5.43 1.09 -1.26 -3.00 121.20 128.57 2win s ILE 295 Ca 0.07 0.37 -0.16 0.00 -1.10 0.00 0.00 60.65 59.83 2win s ILE 295 Cb -0.17 -3.79 -0.14 0.00 -1.06 0.00 0.00 42.46 37.31 2win s ILE 295 CO -0.25 -0.64 0.37 -0.50 -0.10 0.00 0.00 174.94 173.83 2win h TRP 296 N 13.93 0.00 -3.56 3.97 4.06 -1.27 -3.47 115.95 129.61 2win h TRP 296 Ca -0.29 0.00 -0.57 0.00 2.06 0.00 0.00 58.89 60.08 2win h TRP 296 Cb 1.17 0.00 -0.33 0.00 -1.00 0.00 0.00 29.16 29.00 2win h TRP 296 CO 1.00 0.57 -0.84 0.08 -3.56 0.00 0.00 178.44 175.69 2win s VAL 297 N -1.96 1.48 0.01 1.49 1.01 -1.04 -4.96 120.40 116.43 2win s VAL 297 Ca -0.12 -0.70 -0.04 0.00 0.00 0.00 0.00 61.98 61.13 2win s VAL 297 Cb -0.01 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 2win s VAL 297 CO 0.38 0.43 0.22 -0.54 0.00 0.00 0.00 175.10 175.58 2win s LYS 298 N 0.37 3.48 -0.00 2.72 1.02 -1.26 -2.24 119.74 123.83 2win s LYS 298 Ca -0.12 -0.25 0.00 0.00 0.02 0.00 0.00 55.97 55.62 2win s LYS 298 Cb -0.15 -3.08 0.01 0.00 -0.52 0.00 0.00 37.83 34.10 2win s LYS 298 CO 0.05 0.65 0.53 1.33 -0.92 0.00 0.00 175.35 176.99 2win n VAL 299 N 0.90 0.05 0.00 3.17 0.24 -1.26 -2.95 118.33 118.49 2win n VAL 299 Ca -0.10 -0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.17 2win n VAL 299 Cb 0.52 -0.49 0.00 0.00 -1.47 0.00 0.00 33.84 32.41 2win n VAL 299 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2win n SER 300 N 0.00 4.79 -4.59 -1.34 3.41 -1.26 -4.98 113.62 109.65 2win n SER 300 Ca 0.00 -0.01 -0.29 0.00 -0.26 0.00 0.00 58.87 58.32 2win n SER 300 Cb 0.26 0.98 0.21 0.00 -0.26 0.00 0.00 64.21 65.40 2win n SER 300 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2win s GLU 301 N -1.94 -0.06 0.03 4.33 2.02 -1.15 -4.95 118.70 116.99 2win s GLU 301 Ca 0.00 0.86 0.25 0.00 0.02 0.00 0.00 54.97 56.10 2win s GLU 301 Cb 0.00 -1.65 0.46 0.00 0.10 0.00 0.00 34.13 33.04 2win s GLU 301 CO 0.00 -3.15 1.39 0.00 0.02 0.00 0.00 175.26 173.51 2win n ALA 302 N -4.52 3.33 0.36 5.21 0.00 -1.26 -3.70 120.51 119.93 2win n ALA 302 Ca 0.05 -0.32 0.11 0.00 0.00 0.00 0.00 53.44 53.29 2win n ALA 302 Cb 0.55 -1.14 0.19 0.00 0.00 0.00 0.00 19.45 19.05 2win n ALA 302 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2win n ASP 303 N -1.68 3.30 0.00 0.00 10.43 -1.26 -4.35 116.55 122.98 2win n ASP 303 Ca 0.05 -1.96 0.06 0.00 2.57 0.00 0.00 54.79 55.50 2win n ASP 303 Cb 0.37 -0.21 0.34 0.00 1.84 0.00 0.00 41.12 43.46 2win n ASP 303 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 2win n SER 304 N 1.38 0.00 -0.06 -2.24 3.41 -1.24 -2.71 113.62 112.16 2win n SER 304 Ca 0.18 -1.41 0.01 0.00 -0.26 0.00 0.00 58.87 57.38 2win n SER 304 Cb 0.58 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.53 2win n SER 304 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2win n SER 305 N -0.70 1.08 -4.35 4.04 3.41 -1.26 -0.59 113.62 115.25 2win n SER 305 Ca 0.09 -1.04 -0.46 0.00 -0.26 0.00 0.00 58.87 57.20 2win n SER 305 Cb 0.04 0.04 -0.03 0.00 -0.26 0.00 0.00 64.21 64.00 2win n SER 305 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2win s ASN 306 N -0.17 6.48 0.29 4.04 2.47 -1.10 -4.85 114.94 122.10 2win s ASN 306 Ca 0.02 -2.12 0.03 0.00 0.42 0.00 0.00 52.86 51.21 2win s ASN 306 Cb 0.01 -2.25 0.67 0.00 -1.45 0.00 0.00 41.25 38.23 2win s ASN 306 CO 0.02 -0.82 1.75 0.00 -3.72 0.00 0.00 177.10 174.32 2win h ALA 307 N 8.49 1.48 -0.50 1.71 0.00 -1.91 0.47 119.26 129.01 2win h ALA 307 Ca -0.07 0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.03 2win h ALA 307 Cb 1.06 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 2win h ALA 307 CO 0.94 -0.15 0.34 -0.44 0.00 0.00 0.00 179.25 179.94 2win h ASP 308 N 0.61 0.26 0.11 0.00 3.32 -1.97 0.94 116.42 119.69 2win h ASP 308 Ca 0.54 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 57.36 2win h ASP 308 Cb 0.88 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.38 2win h ASP 308 CO -0.42 0.16 -1.14 -0.25 -1.72 0.00 0.00 179.24 175.87 2win h TRP 309 N 0.29 0.43 -0.83 4.55 7.01 -1.29 -3.00 115.95 123.12 2win h TRP 309 Ca 0.23 -0.31 0.05 0.00 2.11 0.00 0.00 58.89 60.96 2win h TRP 309 Cb 0.52 -0.02 -0.05 0.00 -2.10 0.00 0.00 29.16 27.52 2win h TRP 309 CO -0.00 1.44 0.54 0.28 -2.79 0.00 0.00 178.44 177.92 2win h VAL 310 N -0.40 1.10 -0.62 2.65 2.07 -0.96 -0.72 116.25 119.37 2win h VAL 310 Ca -0.24 -0.34 -0.07 0.00 0.82 0.00 0.00 66.70 66.87 2win h VAL 310 Cb 1.66 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 2win h VAL 310 CO 0.07 0.18 0.11 0.74 0.02 0.00 0.00 177.57 178.69 2win h THR 311 N 0.98 1.26 -0.19 2.57 2.02 -0.94 -1.39 112.91 117.22 2win h THR 311 Ca 0.34 -0.99 0.03 0.00 0.77 0.00 0.00 66.41 66.56 2win h THR 311 Cb 0.10 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.18 2win h THR 311 CO -0.11 0.37 0.01 0.50 0.37 0.00 0.00 175.52 176.66 2win h LYS 312 N 0.94 0.07 0.51 6.66 3.64 -1.03 0.39 116.57 127.74 2win h LYS 312 Ca 0.19 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.55 2win h LYS 312 Cb 0.41 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.21 2win h LYS 312 CO 0.01 0.05 -0.28 1.96 -2.27 0.00 0.00 179.45 178.91 2win h GLN 313 N 0.08 -0.71 -0.77 1.90 1.08 -1.07 0.23 115.11 115.85 2win h GLN 313 Ca 0.09 0.05 0.07 0.00 -1.45 0.00 0.00 58.65 57.40 2win h GLN 313 Cb 0.10 0.16 -0.06 0.00 -0.05 0.00 0.00 27.48 27.63 2win h GLN 313 CO -0.14 -0.47 0.46 1.25 -0.95 0.00 0.00 178.83 178.97 2win h LEU 314 N -0.74 0.69 -1.26 1.46 5.85 -1.12 -0.00 115.31 120.19 2win h LEU 314 Ca -0.06 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.61 2win h LEU 314 Cb 0.59 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 2win h LEU 314 CO 0.08 0.43 -0.31 -1.13 -0.34 0.00 0.00 178.44 177.18 2win h ASN 315 N 0.82 0.10 1.51 1.25 -1.24 -0.03 -2.51 115.58 115.47 2win h ASN 315 Ca 0.35 -0.03 0.00 0.00 0.71 0.00 0.00 56.30 57.33 2win h ASN 315 Cb 0.21 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.24 2win h ASN 315 CO -0.19 0.41 -0.30 -0.08 -1.29 0.00 0.00 177.43 175.97 2win h GLU 316 N 0.09 0.00 -5.77 6.67 4.81 0.09 -3.45 114.58 117.02 2win h GLU 316 Ca 0.01 0.00 -0.56 0.00 -0.13 0.00 0.00 59.36 58.68 2win h GLU 316 Cb 0.60 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 2win h GLU 316 CO 0.04 0.00 1.55 -0.89 -0.73 0.00 0.00 179.01 178.98 2win n ILE 317 N -2.68 0.12 -3.14 2.32 5.41 -0.11 -4.92 119.36 116.36 2win n ILE 317 Ca 0.03 -0.48 -0.39 0.00 1.00 0.00 0.00 62.75 62.91 2win n ILE 317 Cb 0.50 -2.21 -0.06 0.00 -0.71 0.00 0.00 39.64 37.16 2win n ILE 317 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 2win s ASN 318 N 9.45 7.08 0.17 4.38 3.84 -1.26 -4.99 114.94 133.61 2win s ASN 318 Ca 1.06 1.29 -0.26 0.00 0.21 0.00 0.00 52.86 55.15 2win s ASN 318 Cb -0.51 -2.40 0.03 0.00 -0.55 0.00 0.00 41.25 37.83 2win s ASN 318 CO 0.37 0.11 1.56 0.22 -2.79 0.00 0.00 177.10 176.57 2win h TYR 319 N 5.41 -1.33 0.00 0.43 3.20 -1.97 -2.06 116.97 120.65 2win h TYR 319 Ca -0.46 0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.50 2win h TYR 319 Cb 1.20 0.67 0.00 0.00 1.54 0.00 0.00 36.73 40.14 2win h TYR 319 CO 0.66 -0.42 0.00 0.39 -1.64 0.00 0.00 178.16 177.14 2win n GLU 320 N -5.40 0.82 -0.33 1.82 1.02 -1.26 -4.13 120.64 113.18 2win n GLU 320 Ca 0.02 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.16 2win n GLU 320 Cb 0.35 -1.24 0.14 0.00 -0.02 0.00 0.00 31.44 30.66 2win n GLU 320 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 2win h ASP 321 N 0.27 0.94 -3.18 1.62 1.82 -1.76 -3.32 116.42 112.81 2win h ASP 321 Ca 0.00 0.01 -0.57 0.00 -0.39 0.00 0.00 57.03 56.08 2win h ASP 321 Cb 0.62 -0.19 -0.40 0.00 0.68 0.00 0.00 39.33 40.04 2win h ASP 321 CO 0.00 0.62 -0.76 -1.38 -1.61 0.00 0.00 179.24 176.11 2win s HIS 322 N -6.07 1.54 -0.27 0.28 -3.43 -1.26 -4.97 115.29 101.12 2win s HIS 322 Ca -0.13 -1.52 0.16 0.00 -0.80 0.00 0.00 55.06 52.78 2win s HIS 322 Cb 0.19 -1.53 -0.23 0.00 -1.43 0.00 0.00 32.58 29.58 2win s HIS 322 CO 0.80 -0.82 0.47 1.17 -2.00 0.00 0.00 174.74 174.36 2win n LYS 323 N 4.90 0.91 -0.06 -0.38 4.81 -1.25 -4.53 118.16 122.55 2win n LYS 323 Ca -0.04 -0.10 -0.13 0.00 -0.87 0.00 0.00 58.31 57.17 2win n LYS 323 Cb 0.43 -1.34 -0.06 0.00 0.02 0.00 0.00 35.03 34.08 2win n LYS 323 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 2win h LEU 324 N 0.00 0.42 -7.14 3.14 4.07 -1.93 -3.36 115.31 110.52 2win h LEU 324 Ca 0.00 -0.44 -0.79 0.00 0.08 0.00 0.00 57.88 56.74 2win h LEU 324 Cb 0.63 -0.12 -0.29 0.00 1.08 0.00 0.00 40.66 41.96 2win h LEU 324 CO 0.00 0.76 0.55 0.29 -1.08 0.00 0.00 178.44 178.96 2win n LYS 325 N -4.55 3.94 0.00 1.13 5.02 -1.26 -4.84 118.16 117.60 2win n LYS 325 Ca -0.05 -4.52 0.03 0.00 -2.02 0.00 0.00 58.31 51.75 2win n LYS 325 Cb 0.34 -2.51 0.20 0.00 -0.02 0.00 0.00 35.03 33.04 2win n LYS 325 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2win n SER 326 N 1.84 0.00 -4.48 4.39 3.41 -1.26 -3.32 113.62 114.19 2win n SER 326 Ca 0.25 -0.64 -0.31 0.00 -0.26 0.00 0.00 58.87 57.92 2win n SER 326 Cb 0.36 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 64.49 2win n SER 326 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2win n GLY 327 N -0.12 -1.62 2.54 5.00 0.00 -1.26 -4.14 105.19 105.59 2win n GLY 327 Ca 0.05 -0.87 -0.24 0.00 0.00 0.00 0.00 46.02 44.95 2win n GLY 327 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2win n THR 328 N -4.36 1.61 -2.43 2.61 -1.04 -1.13 -3.31 114.28 106.23 2win n THR 328 Ca 0.06 -5.06 -0.37 0.00 -2.04 0.00 0.00 64.05 56.64 2win n THR 328 Cb 0.55 -1.31 -0.03 0.00 -1.82 0.00 0.00 70.33 67.71 2win n THR 328 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 2win s ASN 329 N -2.72 6.16 0.08 8.00 3.04 0.16 -3.44 114.94 126.22 2win s ASN 329 Ca 0.43 -1.26 -0.11 0.00 0.04 0.00 0.00 52.86 51.95 2win s ASN 329 Cb 0.26 -2.57 -0.22 0.00 -1.54 0.00 0.00 41.25 37.18 2win s ASN 329 CO -0.09 -1.82 1.19 0.74 -3.04 0.00 0.00 177.10 174.08 2win h THR 330 N 6.90 1.32 -0.87 -5.21 2.02 -1.84 -3.17 112.91 112.06 2win h THR 330 Ca 0.18 -2.38 0.15 0.00 0.77 0.00 0.00 66.41 65.13 2win h THR 330 Cb 1.01 2.49 -0.07 0.00 -1.74 0.00 0.00 68.15 69.84 2win h THR 330 CO 1.37 0.73 0.57 0.50 0.37 0.00 0.00 175.52 179.06 2win h LYS 331 N 0.32 0.59 -0.32 6.66 3.64 -1.87 -0.55 116.57 125.04 2win h LYS 331 Ca -0.13 -0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.04 2win h LYS 331 Cb 1.74 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 33.42 2win h LYS 331 CO 0.20 0.39 -0.48 -0.22 -2.27 0.00 0.00 179.45 177.08 2win h LYS 332 N 0.61 0.88 0.10 1.90 1.63 -1.91 -0.28 116.57 119.49 2win h LYS 332 Ca 0.44 -0.51 -0.00 0.00 -0.85 0.00 0.00 60.65 59.72 2win h LYS 332 Cb 0.81 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.48 2win h LYS 332 CO -0.19 1.15 -0.05 0.00 -3.45 0.00 0.00 179.45 176.91 2win h ALA 333 N 0.75 -0.13 0.00 5.00 0.00 -1.12 -1.79 119.26 121.97 2win h ALA 333 Ca 0.03 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2win h ALA 333 Cb 1.08 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2win h ALA 333 CO 0.11 -0.53 -0.26 -0.07 0.00 0.00 0.00 179.25 178.49 2win h LEU 334 N -0.22 0.00 -1.37 0.00 3.38 -1.29 -1.98 115.31 113.83 2win h LEU 334 Ca -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2win h LEU 334 Cb 0.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2win h LEU 334 CO 0.02 0.26 0.03 -0.61 0.09 0.00 0.00 178.44 178.23 2win h GLN 335 N 0.00 0.44 0.01 1.13 4.15 -0.53 -1.82 115.11 118.49 2win h GLN 335 Ca -0.00 -0.08 -0.26 0.00 0.77 0.00 0.00 58.65 59.08 2win h GLN 335 Cb 0.54 -0.07 0.02 0.00 0.21 0.00 0.00 27.48 28.17 2win h GLN 335 CO 0.03 0.45 -1.05 0.00 -1.93 0.00 0.00 178.83 176.34 2win h ALA 336 N 1.60 0.17 -0.35 3.38 0.00 -0.62 -3.16 119.26 120.29 2win h ALA 336 Ca 0.10 -0.71 0.04 0.00 0.00 0.00 0.00 54.91 54.33 2win h ALA 336 Cb 0.24 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2win h ALA 336 CO 0.00 0.72 0.24 0.28 0.00 0.00 0.00 179.25 180.49 2win h VAL 337 N 0.34 1.00 -0.93 0.00 2.07 -0.98 -1.30 116.25 116.46 2win h VAL 337 Ca -0.12 -0.11 0.07 0.00 0.82 0.00 0.00 66.70 67.35 2win h VAL 337 Cb 1.70 0.65 -0.06 0.00 -1.52 0.00 0.00 31.29 32.05 2win h VAL 337 CO 0.20 0.06 0.60 0.22 0.02 0.00 0.00 177.57 178.67 2win h TYR 338 N 0.32 1.08 -0.12 1.57 3.20 -1.30 -1.78 116.97 119.94 2win h TYR 338 Ca 0.15 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.92 2win h TYR 338 Cb 0.18 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.09 2win h TYR 338 CO -0.00 0.56 -0.49 0.77 -1.64 0.00 0.00 178.16 177.36 2win h SER 339 N 1.05 0.34 -0.88 -2.11 0.02 -1.34 0.12 113.55 110.76 2win h SER 339 Ca 0.40 -0.16 0.14 0.00 -0.84 0.00 0.00 61.79 61.33 2win h SER 339 Cb 0.20 -0.10 -0.09 0.00 0.14 0.00 0.00 62.40 62.55 2win h SER 339 CO -0.15 0.77 0.48 0.24 -1.14 0.00 0.00 176.83 177.03 2win h MET 340 N 0.25 0.68 0.00 3.45 2.86 -1.18 -1.71 114.93 119.29 2win h MET 340 Ca 0.01 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2win h MET 340 Cb 0.95 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.46 2win h MET 340 CO 0.08 0.45 -1.15 0.00 1.06 0.00 0.00 176.91 177.34 2win n MET 341 N -4.82 0.16 -2.03 1.72 -0.00 -1.15 -4.83 117.12 106.17 2win n MET 341 Ca 0.17 -0.04 -0.35 0.00 -0.00 0.00 0.00 57.70 57.48 2win n MET 341 Cb 0.42 -1.52 -0.04 0.00 -0.00 0.00 0.00 33.22 32.09 2win n MET 341 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2win s SER 342 N -3.39 5.22 0.66 3.17 0.15 0.41 -4.96 113.70 114.96 2win s SER 342 Ca 0.05 0.10 -0.17 0.00 0.70 0.00 0.00 55.95 56.62 2win s SER 342 Cb 0.16 -2.54 -0.00 0.00 -1.71 0.00 0.00 66.02 61.93 2win s SER 342 CO 0.86 -2.49 1.27 -1.66 1.20 0.00 0.00 173.24 172.42 2win s TRP 343 N 9.41 2.08 -0.98 3.44 -2.14 -1.26 -4.83 118.94 124.65 2win s TRP 343 Ca 0.68 1.51 -0.25 0.00 2.66 0.00 0.00 56.10 60.71 2win s TRP 343 Cb -0.11 -3.64 -0.13 0.00 -3.10 0.00 0.00 33.47 26.49 2win s TRP 343 CO 0.15 -2.83 2.12 -1.25 -2.66 0.00 0.00 176.95 172.49 2win s PRO 344 N -3.49 1.87 5.26 3.25 0.04 -1.26 -4.86 135.00 135.80 2win s PRO 344 Ca 0.81 -0.30 0.00 0.00 0.04 0.00 0.00 61.00 61.54 2win s PRO 344 Cb -0.35 -5.00 0.00 0.00 0.04 0.00 0.00 34.50 29.19 2win s PRO 344 CO 0.41 -4.43 0.00 -0.25 0.04 0.00 0.00 177.00 172.77 2win n ASP 345 N 17.05 0.00 -0.24 6.66 10.43 -1.26 -3.91 116.55 145.27 2win n ASP 345 Ca 0.43 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.79 2win n ASP 345 Cb 0.46 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.42 2win n ASP 345 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 2win n ASP 346 N 2.71 0.32 -3.88 -2.24 8.00 -1.26 -4.62 116.55 115.59 2win n ASP 346 Ca 0.00 -1.33 -0.29 0.00 0.71 0.00 0.00 54.79 53.89 2win n ASP 346 Cb 0.00 -0.16 -0.16 0.00 -0.02 0.00 0.00 41.12 40.78 2win n ASP 346 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2win s VAL 347 N -1.51 1.14 -0.14 2.53 -7.23 -1.25 -5.10 120.40 108.83 2win s VAL 347 Ca 0.00 -0.75 -0.29 0.00 -1.81 0.00 0.00 61.98 59.12 2win s VAL 347 Cb 0.00 -1.37 -0.02 0.00 0.56 0.00 0.00 36.38 35.55 2win s VAL 347 CO 0.00 0.04 1.29 -2.84 -0.31 0.00 0.00 175.10 173.28 2win s PRO 348 N 1.61 4.24 1.22 4.82 0.02 -1.26 -4.57 135.00 141.08 2win s PRO 348 Ca -0.01 1.71 -0.17 0.00 0.02 0.00 0.00 61.00 62.55 2win s PRO 348 Cb -0.16 -3.76 0.26 0.00 0.02 0.00 0.00 34.50 30.86 2win s PRO 348 CO -0.07 -0.69 0.66 -2.30 -0.33 0.00 0.00 177.00 174.26 2win n PRO 349 N 6.51 -2.81 -1.68 5.54 -0.02 -1.26 -4.84 135.00 136.43 2win n PRO 349 Ca 0.14 -0.81 -0.46 0.00 -2.02 0.00 0.00 63.50 60.35 2win n PRO 349 Cb 0.45 -1.93 -0.04 0.00 -0.02 0.00 0.00 33.50 31.96 2win n PRO 349 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2win n GLU 350 N -4.15 2.28 -3.85 -0.52 2.13 -1.26 -3.04 120.64 112.23 2win n GLU 350 Ca 0.04 0.83 -0.23 0.00 0.66 0.00 0.00 57.16 58.46 2win n GLU 350 Cb 0.56 -2.66 -0.07 0.00 0.27 0.00 0.00 31.44 29.54 2win n GLU 350 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2win n GLY 351 N 3.98 -0.10 0.12 8.31 0.00 -1.26 -4.81 105.19 111.43 2win n GLY 351 Ca 0.20 0.14 -0.09 0.00 0.00 0.00 0.00 46.02 46.26 2win n GLY 351 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 2win h TRP 352 N -1.07 0.29 0.00 1.61 5.08 -1.89 -2.99 115.95 116.98 2win h TRP 352 Ca -0.49 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.49 2win h TRP 352 Cb 1.04 -0.09 0.00 0.00 -3.00 0.00 0.00 29.16 27.10 2win h TRP 352 CO 0.38 0.18 0.03 -2.95 -1.28 0.00 0.00 178.44 174.80 2win h ASN 353 N 0.31 0.00 0.74 0.11 7.08 -1.89 -0.52 115.58 121.41 2win h ASN 353 Ca 0.09 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.31 2win h ASN 353 Cb -0.02 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.22 2win h ASN 353 CO -0.03 0.00 -0.03 -1.14 -2.08 0.00 0.00 177.43 174.15 2win n ARG 354 N -2.94 0.24 -2.94 4.14 3.00 -1.13 -4.81 116.66 112.22 2win n ARG 354 Ca -0.03 -0.02 -0.40 0.00 -0.00 0.00 0.00 57.85 57.41 2win n ARG 354 Cb 0.10 -1.50 -0.05 0.00 0.00 0.00 0.00 32.46 31.01 2win n ARG 354 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 2win s THR 355 N -2.77 4.63 0.27 5.15 2.01 -0.21 -4.56 115.64 120.16 2win s THR 355 Ca 0.21 1.71 -0.16 0.00 0.31 0.00 0.00 61.69 63.77 2win s THR 355 Cb 0.20 -4.15 -0.08 0.00 0.01 0.00 0.00 72.50 68.47 2win s THR 355 CO 0.50 0.39 0.70 -0.13 -0.69 0.00 0.00 174.62 175.39 2win s ARG 356 N -0.25 4.06 -0.13 4.92 1.81 -0.94 -4.93 118.95 123.49 2win s ARG 356 Ca 0.39 0.68 0.01 0.00 -1.72 0.00 0.00 55.73 55.09 2win s ARG 356 Cb -0.21 -2.63 0.02 0.00 -0.45 0.00 0.00 34.95 31.67 2win s ARG 356 CO 0.25 0.27 -0.14 -1.01 -0.68 0.00 0.00 175.30 173.99 2win s HIS 357 N -1.78 2.01 -0.19 -0.53 3.76 -1.09 -1.19 115.29 116.28 2win s HIS 357 Ca 0.49 -1.05 -0.00 0.00 -0.15 0.00 0.00 55.06 54.35 2win s HIS 357 Cb -0.13 -1.48 0.05 0.00 1.11 0.00 0.00 32.58 32.13 2win s HIS 357 CO 0.19 -0.57 -0.05 0.08 -0.85 0.00 0.00 174.74 173.54 2win s VAL 358 N 1.30 1.26 -0.26 -0.90 1.01 -0.38 -1.72 120.40 120.71 2win s VAL 358 Ca 0.00 -0.86 -0.11 0.00 0.00 0.00 0.00 61.98 61.01 2win s VAL 358 Cb -0.14 -1.48 -0.05 0.00 0.00 0.00 0.00 36.38 34.71 2win s VAL 358 CO -0.07 0.04 0.19 -0.63 0.00 0.00 0.00 175.10 174.63 2win s ILE 359 N 1.55 5.32 -0.82 2.22 1.01 -0.98 -0.29 121.20 129.20 2win s ILE 359 Ca -0.02 0.19 0.01 0.00 0.00 0.00 0.00 60.65 60.83 2win s ILE 359 Cb -0.17 -3.53 0.20 0.00 0.01 0.00 0.00 42.46 38.98 2win s ILE 359 CO -0.07 0.28 0.69 -0.38 0.00 0.00 0.00 174.94 175.46 2win n ILE 360 N 4.77 2.52 -2.66 2.92 5.41 0.01 -0.01 119.36 132.32 2win n ILE 360 Ca -0.14 -5.04 -0.42 0.00 1.00 0.00 0.00 62.75 58.15 2win n ILE 360 Cb 0.52 -2.29 -0.03 0.00 -0.71 0.00 0.00 39.64 37.13 2win n ILE 360 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 2win s LEU 361 N -1.48 4.37 -0.71 1.39 2.96 -0.07 -2.53 118.68 122.61 2win s LEU 361 Ca 0.27 1.73 0.04 0.00 -0.22 0.00 0.00 54.13 55.95 2win s LEU 361 Cb -0.05 -3.57 0.17 0.00 0.50 0.00 0.00 46.19 43.24 2win s LEU 361 CO -0.14 -0.30 0.50 -0.04 -1.32 0.00 0.00 176.35 175.06 2win s MET 362 N 1.00 2.49 0.48 1.98 -1.94 -0.27 -1.43 119.30 121.61 2win s MET 362 Ca 0.53 -3.30 0.02 0.00 -1.71 0.00 0.00 55.69 51.23 2win s MET 362 Cb -0.23 -3.46 -0.02 0.00 2.01 0.00 0.00 34.83 33.14 2win s MET 362 CO 0.28 -1.27 0.04 -0.08 -0.01 0.00 0.00 175.02 173.98 2win s THR 363 N -1.38 0.99 -0.90 2.05 -1.32 -1.14 -2.42 115.64 111.53 2win s THR 363 Ca 0.24 -2.00 0.16 0.00 -1.21 0.00 0.00 61.69 58.88 2win s THR 363 Cb -0.06 -2.21 0.55 0.00 -1.51 0.00 0.00 72.50 69.27 2win s THR 363 CO -0.15 0.00 1.47 -0.90 -2.21 0.00 0.00 174.62 172.82 2win n ASP 364 N -1.29 3.97 0.00 8.08 3.85 -1.26 -2.74 116.55 127.17 2win n ASP 364 Ca -0.15 -2.42 0.00 0.00 -0.71 0.00 0.00 54.79 51.51 2win n ASP 364 Cb 0.66 -0.46 0.00 0.00 -1.35 0.00 0.00 41.12 39.97 2win n ASP 364 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2win n GLY 365 N 0.60 1.62 3.56 6.12 0.00 -1.26 -2.73 105.19 113.09 2win n GLY 365 Ca 0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 2win n GLY 365 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2win s LEU 366 N 0.00 3.17 -0.13 0.99 1.43 -1.26 -4.87 118.68 118.01 2win s LEU 366 Ca 0.00 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 52.68 2win s LEU 366 Cb 0.00 -2.55 -0.01 0.00 0.03 0.00 0.00 46.19 43.66 2win s LEU 366 CO 0.00 -2.76 -0.16 -1.38 0.23 0.00 0.00 176.35 172.28 2win s HIS 367 N 10.25 2.74 -0.18 0.29 -3.43 -1.26 -4.78 115.29 118.92 2win s HIS 367 Ca 0.71 -0.87 -0.17 0.00 -0.80 0.00 0.00 55.06 53.94 2win s HIS 367 Cb -0.08 -1.83 -0.06 0.00 -1.43 0.00 0.00 32.58 29.18 2win s HIS 367 CO 0.04 -0.35 -0.32 0.27 -2.00 0.00 0.00 174.74 172.38 2win n ASN 368 N 3.70 1.92 -4.80 7.38 0.23 -1.22 -4.99 115.26 117.48 2win n ASN 368 Ca -0.19 0.37 -0.35 0.00 -0.53 0.00 0.00 54.58 53.89 2win n ASN 368 Cb 0.52 -0.77 -0.06 0.00 -2.08 0.00 0.00 39.78 37.39 2win n ASN 368 CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 2win s MET 369 N -2.78 4.35 0.05 -3.83 -1.94 -1.26 -4.89 119.30 109.01 2win s MET 369 Ca -0.28 1.26 0.00 0.00 -1.71 0.00 0.00 55.69 54.96 2win s MET 369 Cb 0.05 -2.47 0.00 0.00 2.01 0.00 0.00 34.83 34.42 2win s MET 369 CO 0.41 0.07 0.00 0.41 -0.01 0.00 0.00 175.02 175.90 2win n GLY 370 N -0.02 -3.36 0.00 -0.03 0.00 -1.26 -3.88 105.19 96.63 2win n GLY 370 Ca 0.05 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.18 2win n GLY 370 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2win n GLY 371 N -0.34 0.65 3.29 -0.02 0.00 -1.26 -5.03 105.19 102.48 2win n GLY 371 Ca 0.00 -0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 2win n GLY 371 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2win s ASP 372 N -1.00 5.15 0.00 1.61 2.15 -1.26 -4.82 116.67 118.50 2win s ASP 372 Ca 0.00 -0.95 0.00 0.00 0.43 0.00 0.00 52.55 52.03 2win s ASP 372 Cb 0.00 -1.85 0.00 0.00 -0.30 0.00 0.00 42.92 40.77 2win s ASP 372 CO 0.00 -0.25 0.88 -2.65 -0.17 0.00 0.00 175.17 172.97 2win n PRO 373 N 4.82 0.00 -0.21 4.34 -0.02 -1.26 -2.05 135.00 140.62 2win n PRO 373 Ca -0.14 0.38 -0.06 0.00 -2.02 0.00 0.00 63.50 61.66 2win n PRO 373 Cb 0.46 -1.58 0.04 0.00 -0.02 0.00 0.00 33.50 32.40 2win n PRO 373 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2win h ILE 374 N 0.00 1.17 -0.30 4.25 1.08 -1.94 -2.45 117.51 119.33 2win h ILE 374 Ca 0.00 -0.38 0.04 0.00 -0.39 0.00 0.00 64.86 64.12 2win h ILE 374 Cb 0.16 0.34 -0.02 0.00 -3.07 0.00 0.00 36.82 34.23 2win h ILE 374 CO 0.00 0.18 0.20 0.00 -0.69 0.00 0.00 178.15 177.84 2win h THR 375 N 0.82 0.99 -0.52 -0.27 1.03 -1.85 -1.20 112.91 111.90 2win h THR 375 Ca 0.22 -0.09 -0.06 0.00 -0.01 0.00 0.00 66.41 66.47 2win h THR 375 Cb -0.03 0.71 -0.02 0.00 -1.07 0.00 0.00 68.15 67.74 2win h THR 375 CO -0.04 0.05 0.08 0.58 -0.01 0.00 0.00 175.52 176.17 2win h VAL 376 N 0.25 1.25 -0.08 0.00 2.07 -1.63 0.90 116.25 119.01 2win h VAL 376 Ca 0.12 -0.96 -0.02 0.00 0.82 0.00 0.00 66.70 66.66 2win h VAL 376 Cb 0.18 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 2win h VAL 376 CO -0.02 0.35 -0.06 0.40 0.02 0.00 0.00 177.57 178.25 2win h ILE 377 N 0.76 1.10 0.00 4.57 1.08 -1.13 0.85 117.51 124.74 2win h ILE 377 Ca 0.16 -0.41 -0.13 0.00 -0.39 0.00 0.00 64.86 64.08 2win h ILE 377 Cb 0.42 1.11 -0.02 0.00 -3.07 0.00 0.00 36.82 35.25 2win h ILE 377 CO 0.01 0.13 -0.63 0.44 -0.69 0.00 0.00 178.15 177.41 2win h ASP 378 N 0.12 0.00 -0.02 1.72 3.32 -0.74 -0.55 116.42 120.26 2win h ASP 378 Ca 0.03 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.02 2win h ASP 378 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 2win h ASP 378 CO 0.01 0.63 -0.20 -0.33 -1.72 0.00 0.00 179.24 177.63 2win h GLU 379 N 0.00 0.18 0.00 3.56 5.08 0.31 -3.03 114.58 120.67 2win h GLU 379 Ca -0.01 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.16 2win h GLU 379 Cb 1.39 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.68 2win h GLU 379 CO 0.08 0.85 -0.14 0.82 -1.00 0.00 0.00 179.01 179.62 2win h ILE 380 N -0.44 0.73 -0.02 3.13 2.04 -0.94 -1.88 117.51 120.13 2win h ILE 380 Ca -0.02 -0.58 0.01 0.00 1.00 0.00 0.00 64.86 65.27 2win h ILE 380 Cb 0.90 1.35 -0.00 0.00 -0.74 0.00 0.00 36.82 38.33 2win h ILE 380 CO 0.04 0.14 0.02 -0.09 0.00 0.00 0.00 178.15 178.26 2win h ARG 381 N 0.00 0.00 0.04 2.37 1.12 -0.97 -2.88 114.38 114.06 2win h ARG 381 Ca -0.00 0.00 -0.37 0.00 -1.11 0.00 0.00 59.98 58.50 2win h ARG 381 Cb 0.34 0.00 -0.05 0.00 -0.01 0.00 0.00 29.97 30.25 2win h ARG 381 CO 0.02 0.00 -2.25 -3.47 -3.11 0.00 0.00 179.97 171.16 2win n ASP 382 N -4.45 1.71 -0.06 -3.80 4.64 -0.76 -1.16 116.55 112.66 2win n ASP 382 Ca -0.02 0.03 -0.07 0.00 -1.38 0.00 0.00 54.79 53.35 2win n ASP 382 Cb 0.11 -0.36 -0.01 0.00 -1.04 0.00 0.00 41.12 39.82 2win n ASP 382 CO 0.00 0.00 0.00 0.25 -0.82 0.00 0.00 177.20 176.63 2win h LEU 383 N 0.02 -0.18 -0.11 -2.67 7.12 -1.25 0.11 115.31 118.36 2win h LEU 383 Ca -0.50 0.07 0.00 0.00 0.13 0.00 0.00 57.88 57.58 2win h LEU 383 Cb 1.99 0.13 0.00 0.00 -0.53 0.00 0.00 40.66 42.26 2win h LEU 383 CO -0.00 -0.06 0.00 0.18 -0.13 0.00 0.00 178.44 178.43 2win n LEU 384 N -5.19 0.11 -3.66 2.25 4.77 -1.10 -4.86 117.00 109.31 2win n LEU 384 Ca -0.01 -0.05 -0.21 0.00 -0.03 0.00 0.00 56.01 55.71 2win n LEU 384 Cb 0.14 -0.05 0.04 0.00 -2.33 0.00 0.00 43.42 41.22 2win n LEU 384 CO 0.23 0.03 -0.05 0.00 -1.33 0.00 0.00 177.39 176.26 2win n TYR 385 N -0.44 -1.95 -4.21 -1.77 9.36 0.40 -4.98 117.16 113.56 2win n TYR 385 Ca 0.00 0.84 -0.35 0.00 3.32 0.00 0.00 57.90 61.71 2win n TYR 385 Cb 0.03 -4.43 -0.09 0.00 -0.63 0.00 0.00 39.34 34.22 2win n TYR 385 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 2win s ILE 386 N -3.63 4.57 -1.56 2.97 1.01 -0.31 -4.50 121.20 119.76 2win s ILE 386 Ca 0.02 -0.14 -0.05 0.00 0.00 0.00 0.00 60.65 60.49 2win s ILE 386 Cb -0.01 -2.97 0.01 0.00 0.01 0.00 0.00 42.46 39.50 2win s ILE 386 CO 0.80 0.56 0.61 0.61 0.00 0.00 0.00 174.94 177.53 2win n GLY 387 N 2.56 -0.52 0.09 6.18 0.00 0.13 -4.48 105.19 109.14 2win n GLY 387 Ca -0.18 0.13 0.03 0.00 0.00 0.00 0.00 46.02 46.00 2win n GLY 387 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2win n LYS 388 N -4.04 1.53 -4.03 1.61 4.76 -1.26 -5.05 118.16 111.68 2win n LYS 388 Ca -0.11 -1.59 -0.08 0.00 -2.87 0.00 0.00 58.31 53.66 2win n LYS 388 Cb 0.62 -1.00 -0.10 0.00 -1.84 0.00 0.00 35.03 32.71 2win n LYS 388 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2win s ASP 389 N -1.40 0.37 -0.01 4.39 2.15 -1.26 -5.10 116.67 115.81 2win s ASP 389 Ca 0.10 -0.80 -0.04 0.00 0.43 0.00 0.00 52.55 52.24 2win s ASP 389 Cb 0.09 0.18 -0.02 0.00 -0.30 0.00 0.00 42.92 42.87 2win s ASP 389 CO 0.01 -0.51 0.52 0.08 -0.17 0.00 0.00 175.17 175.09 2win h ARG 390 N 3.60 -0.13 -0.10 4.34 0.11 -1.99 -3.37 114.38 116.83 2win h ARG 390 Ca -0.33 0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.76 2win h ARG 390 Cb 1.17 0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.28 2win h ARG 390 CO 0.57 -0.09 0.00 0.36 0.10 0.00 0.00 179.97 180.91 2win n LYS 391 N -2.70 1.85 -3.31 0.08 0.00 -1.26 -4.43 118.16 108.39 2win n LYS 391 Ca -0.02 -1.25 -0.25 0.00 -0.00 0.00 0.00 58.31 56.79 2win n LYS 391 Cb 0.05 -1.45 -0.08 0.00 -0.00 0.00 0.00 35.03 33.56 2win n LYS 391 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2win n ASN 392 N 0.49 1.52 -0.05 -5.58 4.05 -1.26 -4.97 115.26 109.47 2win n ASN 392 Ca 0.17 -2.96 -0.01 0.00 0.45 0.00 0.00 54.58 52.24 2win n ASN 392 Cb 0.40 -0.65 0.27 0.00 1.23 0.00 0.00 39.78 41.03 2win n ASN 392 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 2win h PRO 393 N 4.19 0.64 -5.65 1.20 0.11 -1.77 -3.38 132.00 127.33 2win h PRO 393 Ca 0.13 -0.12 -0.39 0.00 0.11 0.00 0.00 66.00 65.73 2win h PRO 393 Cb 0.80 -0.10 0.13 0.00 0.11 0.00 0.00 31.00 31.94 2win h PRO 393 CO 0.60 0.60 -0.66 0.54 -0.21 0.00 0.00 178.00 178.87 2win n ARG 394 N -4.30 -7.62 -0.03 1.05 1.74 -1.26 0.19 116.66 106.43 2win n ARG 394 Ca 0.03 0.82 0.11 0.00 -0.77 0.00 0.00 57.85 58.03 2win n ARG 394 Cb 0.22 -5.81 0.51 0.00 -1.02 0.00 0.00 32.46 26.35 2win n ARG 394 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2win n GLU 395 N -4.86 1.33 0.00 5.56 -0.58 -1.26 -3.48 120.64 117.36 2win n GLU 395 Ca 0.00 -0.50 0.12 0.00 -0.42 0.00 0.00 57.16 56.36 2win n GLU 395 Cb 0.56 -1.36 0.17 0.00 -0.57 0.00 0.00 31.44 30.24 2win n GLU 395 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2win n ASP 396 N -0.30 1.63 -1.07 1.62 10.43 -1.26 -4.16 116.55 123.44 2win n ASP 396 Ca 0.16 -1.27 0.05 0.00 2.57 0.00 0.00 54.79 56.29 2win n ASP 396 Cb 0.19 0.32 0.26 0.00 1.84 0.00 0.00 41.12 43.73 2win n ASP 396 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 2win n TYR 397 N -0.24 1.14 -3.33 1.24 4.02 -1.23 -4.83 117.16 113.93 2win n TYR 397 Ca 0.11 -1.04 -0.10 0.00 -0.01 0.00 0.00 57.90 56.86 2win n TYR 397 Cb 0.42 -0.39 -0.07 0.00 -0.02 0.00 0.00 39.34 39.28 2win n TYR 397 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 2win s LEU 398 N -2.92 -0.67 -0.41 7.72 2.96 -1.24 -2.66 118.68 121.46 2win s LEU 398 Ca 0.44 -0.25 0.03 0.00 -0.22 0.00 0.00 54.13 54.13 2win s LEU 398 Cb 0.37 1.03 0.11 0.00 0.50 0.00 0.00 46.19 48.20 2win s LEU 398 CO 0.08 -0.34 0.15 -1.81 -1.32 0.00 0.00 176.35 173.11 2win s ASP 399 N 2.52 4.36 -0.34 3.68 1.11 -0.70 -5.01 116.67 122.29 2win s ASP 399 Ca 0.10 -2.42 -0.20 0.00 0.18 0.00 0.00 52.55 50.22 2win s ASP 399 Cb -0.13 -1.44 -0.00 0.00 1.07 0.00 0.00 42.92 42.42 2win s ASP 399 CO -0.26 -0.32 0.60 -0.69 1.18 0.00 0.00 175.17 175.68 2win s VAL 400 N 0.55 4.94 -0.07 -1.27 1.01 -1.26 -2.33 120.40 121.96 2win s VAL 400 Ca 0.14 0.61 0.00 0.00 0.00 0.00 0.00 61.98 62.73 2win s VAL 400 Cb -0.22 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.11 2win s VAL 400 CO -0.07 -0.23 -0.05 -0.31 0.00 0.00 0.00 175.10 174.44 2win s TYR 401 N 2.60 3.00 -0.10 5.22 2.02 0.99 -2.23 117.35 128.85 2win s TYR 401 Ca 0.23 0.07 0.01 0.00 -0.37 0.00 0.00 57.07 57.01 2win s TYR 401 Cb -0.15 -1.73 0.02 0.00 -0.40 0.00 0.00 41.96 39.70 2win s TYR 401 CO 0.13 0.37 -0.10 0.08 -1.57 0.00 0.00 175.55 174.46 2win s VAL 402 N -0.82 1.10 -0.34 0.71 1.01 -0.78 -0.89 120.40 120.39 2win s VAL 402 Ca 0.12 -0.38 -0.10 0.00 0.00 0.00 0.00 61.98 61.62 2win s VAL 402 Cb -0.11 -1.06 0.01 0.00 0.00 0.00 0.00 36.38 35.21 2win s VAL 402 CO 0.02 0.37 0.18 -0.36 0.00 0.00 0.00 175.10 175.30 2win s PHE 403 N 1.26 3.21 -1.16 5.22 0.08 -0.51 -2.21 117.98 123.87 2win s PHE 403 Ca -0.03 -0.72 -0.22 0.00 0.12 0.00 0.00 56.93 56.08 2win s PHE 403 Cb -0.14 -2.39 -0.03 0.00 -0.57 0.00 0.00 43.02 39.89 2win s PHE 403 CO -0.03 -0.53 1.84 0.20 -0.10 0.00 0.00 175.22 176.60 2win s GLY 404 N 1.59 0.64 0.56 4.36 0.00 0.55 -2.88 107.32 112.15 2win s GLY 404 Ca 0.04 -2.26 -0.08 0.00 0.00 0.00 0.00 44.72 42.41 2win s GLY 404 CO 0.07 3.26 0.92 -1.34 0.00 0.00 0.00 173.10 176.01 2win s VAL 405 N 8.61 4.74 0.00 1.40 -7.23 -1.11 -3.06 120.40 123.75 2win s VAL 405 Ca 0.63 0.56 0.00 0.00 -1.81 0.00 0.00 61.98 61.36 2win s VAL 405 Cb -0.00 -3.85 0.00 0.00 0.56 0.00 0.00 36.38 33.09 2win s VAL 405 CO 0.08 -0.99 0.00 0.61 -0.31 0.00 0.00 175.10 174.48 2win n GLY 406 N -2.54 -2.56 0.00 2.32 0.00 -1.26 -4.05 105.19 97.09 2win n GLY 406 Ca 0.04 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.67 2win n GLY 406 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2win n PRO 407 N -1.65 0.00 -1.55 1.61 -0.04 -1.26 -4.57 135.00 127.53 2win n PRO 407 Ca 0.00 0.00 -0.46 0.00 -0.04 0.00 0.00 63.50 63.00 2win n PRO 407 Cb 0.00 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.42 2win n PRO 407 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2win n LEU 408 N 0.00 2.93 -4.06 1.53 7.99 -1.26 -4.94 117.00 119.18 2win n LEU 408 Ca 0.00 0.32 -0.25 0.00 -0.01 0.00 0.00 56.01 56.07 2win n LEU 408 Cb 0.00 -1.45 -0.16 0.00 -0.11 0.00 0.00 43.42 41.69 2win n LEU 408 CO 0.00 -0.65 -0.48 0.54 -1.51 0.00 0.00 177.39 175.29 2win s VAL 409 N 7.73 1.24 -1.05 4.08 0.11 -1.26 -4.92 120.40 126.32 2win s VAL 409 Ca 1.03 -0.56 -0.23 0.00 -2.93 0.00 0.00 61.98 59.29 2win s VAL 409 Cb -0.52 -1.11 -0.01 0.00 -1.53 0.00 0.00 36.38 33.22 2win s VAL 409 CO 0.41 0.37 1.75 0.21 -3.33 0.00 0.00 175.10 174.51 2win s ASN 410 N 0.46 5.81 0.25 3.54 2.47 -1.10 -4.82 114.94 121.54 2win s ASN 410 Ca -0.11 -1.35 -0.04 0.00 0.42 0.00 0.00 52.86 51.77 2win s ASN 410 Cb -0.14 -2.57 0.40 0.00 -1.45 0.00 0.00 41.25 37.49 2win s ASN 410 CO 0.03 -2.17 1.81 1.56 -3.72 0.00 0.00 177.10 174.62 2win h GLN 411 N 10.00 0.79 -0.96 0.43 1.08 -1.98 -1.96 115.11 122.52 2win h GLN 411 Ca 0.20 -0.05 0.19 0.00 -1.45 0.00 0.00 58.65 57.54 2win h GLN 411 Cb 0.98 -0.18 -0.08 0.00 -0.05 0.00 0.00 27.48 28.14 2win h GLN 411 CO 1.32 0.52 0.61 0.28 -0.95 0.00 0.00 178.83 180.61 2win h VAL 412 N 0.82 0.72 -0.05 -0.54 2.07 -2.00 -2.06 116.25 115.20 2win h VAL 412 Ca 0.40 -0.21 -0.11 0.00 0.82 0.00 0.00 66.70 67.60 2win h VAL 412 Cb 0.36 0.04 0.01 0.00 -1.52 0.00 0.00 31.29 30.18 2win h VAL 412 CO -0.24 0.11 -0.41 -1.13 0.02 0.00 0.00 177.57 175.92 2win h ASN 413 N 0.62 0.44 -0.01 0.57 -0.00 -1.73 -3.34 115.58 112.14 2win h ASN 413 Ca 0.52 -0.69 0.03 0.00 -0.00 0.00 0.00 56.30 56.16 2win h ASN 413 Cb 0.98 -0.13 -0.05 0.00 -0.00 0.00 0.00 38.32 39.12 2win h ASN 413 CO -0.27 1.07 -0.36 0.40 -0.00 0.00 0.00 177.43 178.27 2win h ILE 414 N -0.15 0.25 -0.87 2.57 2.04 -1.23 -2.71 117.51 117.42 2win h ILE 414 Ca -0.04 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.01 2win h ILE 414 Cb 1.09 0.25 -0.11 0.00 -0.74 0.00 0.00 36.82 37.30 2win h ILE 414 CO 0.08 0.00 0.40 0.78 0.00 0.00 0.00 178.15 179.41 2win h ASN 415 N -0.51 0.39 -0.91 1.72 2.35 -1.65 0.25 115.58 117.22 2win h ASN 415 Ca 0.06 0.13 0.06 0.00 -0.55 0.00 0.00 56.30 56.00 2win h ASN 415 Cb 0.59 0.09 -0.06 0.00 0.05 0.00 0.00 38.32 38.99 2win h ASN 415 CO -0.29 0.09 0.60 0.00 -1.65 0.00 0.00 177.43 176.17 2win h ALA 416 N 1.64 1.49 -0.03 -0.83 0.00 -1.60 -2.73 119.26 117.20 2win h ALA 416 Ca 0.51 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.36 2win h ALA 416 Cb 0.88 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2win h ALA 416 CO -0.46 0.39 -0.13 -0.07 0.00 0.00 0.00 179.25 178.97 2win h LEU 417 N 1.06 0.18 -9.88 0.00 3.38 -0.94 -3.46 115.31 105.65 2win h LEU 417 Ca 0.39 -0.64 -0.57 0.00 0.09 0.00 0.00 57.88 57.15 2win h LEU 417 Cb 0.16 -0.05 0.16 0.00 0.09 0.00 0.00 40.66 41.02 2win h LEU 417 CO -0.14 0.78 0.21 0.00 0.09 0.00 0.00 178.44 179.38 2win n ALA 418 N -2.46 0.40 -1.92 1.53 0.00 -0.63 -4.91 120.51 112.52 2win n ALA 418 Ca -0.09 0.02 -0.41 0.00 0.00 0.00 0.00 53.44 52.96 2win n ALA 418 Cb 0.39 -2.15 -0.03 0.00 0.00 0.00 0.00 19.45 17.66 2win n ALA 418 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2win s SER 419 N -1.23 6.79 -0.96 0.00 0.15 -0.95 -4.94 113.70 112.56 2win s SER 419 Ca 0.76 2.54 -0.12 0.00 0.70 0.00 0.00 55.95 59.83 2win s SER 419 Cb -0.42 -2.62 0.24 0.00 -1.71 0.00 0.00 66.02 61.52 2win s SER 419 CO 0.47 -0.59 0.94 -0.75 1.20 0.00 0.00 173.24 174.50 2win s LYS 420 N -0.44 3.88 0.05 5.44 2.20 -1.26 -4.74 119.74 124.86 2win s LYS 420 Ca 0.57 -2.79 0.06 0.00 -0.36 0.00 0.00 55.97 53.45 2win s LYS 420 Cb -0.39 -4.51 -0.03 0.00 -1.51 0.00 0.00 37.83 31.39 2win s LYS 420 CO 0.42 -1.29 -0.14 0.15 -0.36 0.00 0.00 175.35 174.13 2win s LYS 421 N -0.39 2.16 0.33 4.03 1.02 -1.26 -5.11 119.74 120.51 2win s LYS 421 Ca 0.24 -0.95 -0.27 0.00 0.02 0.00 0.00 55.97 55.01 2win s LYS 421 Cb -0.10 -2.27 -0.09 0.00 -0.52 0.00 0.00 37.83 34.85 2win s LYS 421 CO -0.08 0.54 1.09 -0.51 -0.92 0.00 0.00 175.35 175.47 2win s ASP 422 N -1.62 7.03 -2.20 2.83 -0.00 -1.26 -3.42 116.67 118.03 2win s ASP 422 Ca 0.16 2.20 0.00 0.00 -0.00 0.00 0.00 52.55 54.91 2win s ASP 422 Cb -0.11 -2.61 0.00 0.00 -0.00 0.00 0.00 42.92 40.20 2win s ASP 422 CO 0.07 -0.31 0.00 0.59 -0.00 0.00 0.00 175.17 175.53 2win n ASN 423 N 0.66 -5.55 -4.33 0.27 5.03 -1.26 -4.96 115.26 105.13 2win n ASN 423 Ca 0.01 0.48 -0.17 0.00 0.87 0.00 0.00 54.58 55.78 2win n ASN 423 Cb 0.47 -4.88 -0.10 0.00 -1.02 0.00 0.00 39.78 34.24 2win n ASN 423 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 2win s GLU 424 N -3.86 1.28 -0.10 3.52 2.02 -1.22 -5.13 118.70 115.21 2win s GLU 424 Ca 0.00 -1.59 0.04 0.00 0.02 0.00 0.00 54.97 53.44 2win s GLU 424 Cb 0.00 -0.88 -0.00 0.00 0.10 0.00 0.00 34.13 33.35 2win s GLU 424 CO 0.00 0.08 -0.24 -1.14 0.02 0.00 0.00 175.26 173.98 2win s GLN 425 N -3.73 3.02 0.00 1.61 2.00 -1.26 -4.84 119.66 116.45 2win s GLN 425 Ca 0.23 -0.87 0.00 0.00 -2.00 0.00 0.00 55.36 52.72 2win s GLN 425 Cb 0.02 -2.30 0.00 0.00 0.80 0.00 0.00 33.01 31.53 2win s GLN 425 CO 0.06 0.20 0.04 0.72 -0.50 0.00 0.00 175.29 175.81 2win n HIS 426 N 3.46 0.00 -3.91 1.67 8.25 -1.26 -4.76 115.22 118.68 2win n HIS 426 Ca -0.19 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 56.93 2win n HIS 426 Cb 0.53 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.50 2win n HIS 426 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2win s VAL 427 N -0.01 2.89 -0.00 1.59 1.01 -1.26 -1.86 120.40 122.75 2win s VAL 427 Ca 0.00 -1.72 0.06 0.00 0.00 0.00 0.00 61.98 60.32 2win s VAL 427 Cb 0.00 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 2win s VAL 427 CO 0.00 -0.32 -0.17 -0.36 0.00 0.00 0.00 175.10 174.25 2win s PHE 428 N 1.16 2.61 0.53 5.22 0.08 -0.94 -5.05 117.98 121.60 2win s PHE 428 Ca 0.00 -0.23 0.02 0.00 0.12 0.00 0.00 56.93 56.84 2win s PHE 428 Cb -0.20 -1.54 0.02 0.00 -0.57 0.00 0.00 43.02 40.73 2win s PHE 428 CO -0.03 0.21 0.15 0.36 -0.10 0.00 0.00 175.22 175.80 2win n LYS 429 N 1.91 0.71 0.07 0.44 2.85 -1.26 -0.33 118.16 122.55 2win n LYS 429 Ca -0.16 -3.69 -0.13 0.00 -1.05 0.00 0.00 58.31 53.28 2win n LYS 429 Cb 0.52 0.79 -0.06 0.00 -0.65 0.00 0.00 35.03 35.63 2win n LYS 429 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 2win h VAL 430 N 1.06 0.23 -0.86 0.58 2.07 -1.89 -2.25 116.25 115.18 2win h VAL 430 Ca -0.41 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.28 2win h VAL 430 Cb 1.30 0.23 -0.06 0.00 -1.52 0.00 0.00 31.29 31.24 2win h VAL 430 CO 0.66 0.00 0.56 0.50 0.02 0.00 0.00 177.57 179.31 2win h LYS 431 N -0.53 0.50 -0.40 1.57 1.63 -1.97 -0.26 116.57 117.11 2win h LYS 431 Ca 0.05 -0.03 0.12 0.00 -0.85 0.00 0.00 60.65 59.94 2win h LYS 431 Cb 0.61 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 32.11 2win h LYS 431 CO -0.28 0.33 0.33 -0.44 -3.45 0.00 0.00 179.45 175.94 2win h ASP 432 N 0.51 0.00 -0.15 4.20 3.32 -1.81 -2.88 116.42 119.62 2win h ASP 432 Ca 0.44 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.51 2win h ASP 432 Cb 0.92 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.42 2win h ASP 432 CO -0.18 0.00 -0.40 0.24 -1.72 0.00 0.00 179.24 177.18 2win h MET 433 N 0.00 -0.39 -6.37 3.56 2.86 -1.11 -3.41 114.93 110.08 2win h MET 433 Ca 0.19 0.03 -0.64 0.00 -2.06 0.00 0.00 59.70 57.22 2win h MET 433 Cb 0.85 0.09 0.07 0.00 0.06 0.00 0.00 31.60 32.67 2win h MET 433 CO -0.00 -0.26 0.38 0.39 1.06 0.00 0.00 176.91 178.49 2win n GLU 434 N -4.67 1.34 -2.75 1.72 1.02 -1.09 -1.98 120.64 114.23 2win n GLU 434 Ca -0.04 0.48 -0.10 0.00 -0.02 0.00 0.00 57.16 57.48 2win n GLU 434 Cb 0.27 -2.04 0.05 0.00 -0.02 0.00 0.00 31.44 29.70 2win n GLU 434 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2win n ASN 435 N 2.21 -3.68 -0.34 1.62 3.02 -1.26 -4.93 115.26 111.90 2win n ASN 435 Ca 0.15 -0.43 0.13 0.00 -0.03 0.00 0.00 54.58 54.40 2win n ASN 435 Cb 0.25 -3.49 0.34 0.00 -0.61 0.00 0.00 39.78 36.26 2win n ASN 435 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2win h LEU 436 N -0.92 0.76 -0.99 3.41 3.38 -1.62 -2.21 115.31 117.12 2win h LEU 436 Ca -0.38 0.08 0.25 0.00 0.09 0.00 0.00 57.88 57.91 2win h LEU 436 Cb 1.21 -0.06 -0.13 0.00 0.09 0.00 0.00 40.66 41.77 2win h LEU 436 CO 0.30 0.29 0.57 -0.33 0.09 0.00 0.00 178.44 179.36 2win h GLU 437 N 0.75 0.53 -0.62 1.13 4.39 -1.91 0.30 114.58 119.15 2win h GLU 437 Ca 0.55 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 60.19 2win h GLU 437 Cb 0.88 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.38 2win h GLU 437 CO -0.34 0.35 0.24 -0.44 -1.16 0.00 0.00 179.01 177.67 2win h ASP 438 N 0.55 0.82 0.20 1.42 5.19 -1.74 -2.79 116.42 120.07 2win h ASP 438 Ca 0.64 -0.11 -0.01 0.00 -0.62 0.00 0.00 57.03 56.93 2win h ASP 438 Cb 1.22 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 40.52 2win h ASP 438 CO -0.49 0.74 -0.09 0.58 -3.12 0.00 0.00 179.24 176.86 2win h VAL 439 N 0.88 0.89 -0.47 -1.35 2.07 -0.54 -3.08 116.25 114.65 2win h VAL 439 Ca 0.21 -0.52 0.13 0.00 0.82 0.00 0.00 66.70 67.34 2win h VAL 439 Cb 0.18 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 2win h VAL 439 CO -0.02 0.12 0.34 -0.26 0.02 0.00 0.00 177.57 177.77 2win h PHE 440 N -0.52 0.05 0.13 1.57 0.04 -1.30 -2.89 116.94 114.01 2win h PHE 440 Ca -0.03 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.75 2win h PHE 440 Cb 0.39 -0.01 -0.04 0.00 2.20 0.00 0.00 35.95 38.49 2win h PHE 440 CO 0.01 0.02 -0.44 -0.92 -0.60 0.00 0.00 178.31 176.38 2win h TYR 441 N 0.04 -1.28 -0.36 -0.55 5.03 -1.40 -2.91 116.97 115.55 2win h TYR 441 Ca 0.22 0.03 0.07 0.00 2.58 0.00 0.00 58.73 61.64 2win h TYR 441 Cb 0.84 0.54 -0.07 0.00 1.55 0.00 0.00 36.73 39.60 2win h TYR 441 CO -0.00 -0.51 -0.09 1.96 -1.32 0.00 0.00 178.16 178.20 2win h GLN 442 N -0.65 -0.01 -1.14 1.82 7.50 -1.63 -2.36 115.11 118.65 2win h GLN 442 Ca -0.01 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.14 2win h GLN 442 Cb 0.64 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.17 2win h GLN 442 CO -0.23 -0.00 0.00 0.00 -1.50 0.00 0.00 178.83 177.10 2win n MET 443 N -5.29 0.98 -3.67 1.46 0.00 -1.11 -4.67 117.12 104.83 2win n MET 443 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 57.70 57.63 2win n MET 443 Cb 0.20 -1.01 -0.09 0.00 0.00 0.00 0.00 33.22 32.33 2win n MET 443 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 2win s ILE 444 N 0.02 -0.32 -0.16 3.17 1.01 -0.89 -4.89 121.20 119.14 2win s ILE 444 Ca 0.00 0.08 -0.00 0.00 0.00 0.00 0.00 60.65 60.72 2win s ILE 444 Cb 0.00 -0.77 0.04 0.00 0.01 0.00 0.00 42.46 41.74 2win s ILE 444 CO 0.00 0.03 -0.06 1.51 0.00 0.00 0.00 174.94 176.42 2win s ASP 445 N 1.99 2.83 -0.94 3.58 -4.77 -1.26 -4.90 116.67 113.20 2win s ASP 445 Ca -0.07 -0.65 -0.07 0.00 -3.30 0.00 0.00 52.55 48.45 2win s ASP 445 Cb -0.09 -0.94 -0.10 0.00 -1.09 0.00 0.00 42.92 40.70 2win s ASP 445 CO -0.15 -0.18 3.07 -0.62 0.70 0.00 0.00 175.17 177.99 2win n GLU 446 N 4.86 3.16 -0.08 2.11 1.02 -1.26 -3.96 120.64 126.50 2win n GLU 446 Ca -0.12 -2.03 -0.09 0.00 -0.02 0.00 0.00 57.16 54.90 2win n GLU 446 Cb 0.48 -2.45 -0.03 0.00 -0.02 0.00 0.00 31.44 29.41 2win n GLU 446 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2win h SER 447 N 4.09 -1.18 -0.70 1.62 0.87 -1.94 -1.91 113.55 114.40 2win h SER 447 Ca 0.58 0.19 0.00 0.00 -1.23 0.00 0.00 61.79 61.33 2win h SER 447 Cb 0.72 0.52 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 2win h SER 447 CO 1.15 -0.36 0.00 0.00 -0.53 0.00 0.00 176.83 177.09 2win n GLN 448 N -5.42 2.69 -1.75 2.24 3.00 -1.26 -4.42 117.38 112.47 2win n GLN 448 Ca -0.01 -2.62 -0.29 0.00 -0.01 0.00 0.00 57.00 54.06 2win n GLN 448 Cb 0.34 -1.57 0.04 0.00 0.00 0.00 0.00 30.24 29.06 2win n GLN 448 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 2win n SER 449 N 1.65 6.18 -0.04 1.08 7.64 -0.72 -4.64 113.62 124.77 2win n SER 449 Ca 0.24 -3.77 0.11 0.00 1.01 0.00 0.00 58.87 56.46 2win n SER 449 Cb 0.62 -0.64 0.09 0.00 -1.01 0.00 0.00 64.21 63.28 2win n SER 449 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2win n LEU 450 N -0.78 0.82 -0.00 -3.43 4.77 -1.24 -4.19 117.00 112.95 2win n LEU 450 Ca 0.52 -0.26 0.08 0.00 -0.03 0.00 0.00 56.01 56.32 2win n LEU 450 Cb 0.80 -0.13 -0.12 0.00 -2.33 0.00 0.00 43.42 41.65 2win n LEU 450 CO 0.57 0.19 -0.46 -1.54 -1.33 0.00 0.00 177.39 174.82 2win n SER 451 N -1.37 0.98 -4.72 -1.43 3.41 -1.26 -4.71 113.62 104.52 2win n SER 451 Ca 0.05 -0.33 -0.42 0.00 -0.26 0.00 0.00 58.87 57.92 2win n SER 451 Cb 0.34 1.49 -0.03 0.00 -0.26 0.00 0.00 64.21 65.76 2win n SER 451 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2win s LEU 452 N -3.67 4.37 0.62 1.04 1.02 -1.26 -4.83 118.68 115.97 2win s LEU 452 Ca -0.02 2.82 -0.05 0.00 0.02 0.00 0.00 54.13 56.89 2win s LEU 452 Cb 0.11 -3.60 0.03 0.00 0.02 0.00 0.00 46.19 42.75 2win s LEU 452 CO 0.70 -0.93 0.92 0.00 0.02 0.00 0.00 176.35 177.06 2win n GLY 454 N -2.67 0.87 3.70 0.00 0.00 -0.19 -4.76 105.19 102.14 2win n GLY 454 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 2win n GLY 454 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2win s MET 455 N -3.91 3.88 -0.01 1.61 0.00 -1.26 -1.51 119.30 118.10 2win s MET 455 Ca 0.00 -0.29 0.01 0.00 0.00 0.00 0.00 55.69 55.42 2win s MET 455 Cb 0.00 -3.23 0.00 0.00 0.00 0.00 0.00 34.83 31.60 2win s MET 455 CO 0.00 0.39 -0.04 0.08 0.00 0.00 0.00 175.02 175.45 2win s VAL 456 N 0.06 0.40 0.01 10.11 1.01 -1.26 -4.86 120.40 125.86 2win s VAL 456 Ca 0.07 -0.16 -0.17 0.00 0.00 0.00 0.00 61.98 61.71 2win s VAL 456 Cb -0.12 -0.37 -0.06 0.00 0.00 0.00 0.00 36.38 35.84 2win s VAL 456 CO 0.00 0.14 0.48 0.26 0.00 0.00 0.00 175.10 175.98 2win s TRP 457 N 0.19 3.72 -0.91 5.22 0.52 -1.09 -5.00 118.94 121.60 2win s TRP 457 Ca -0.02 1.09 0.07 0.00 0.02 0.00 0.00 56.10 57.26 2win s TRP 457 Cb -0.06 -2.42 0.07 0.00 -1.15 0.00 0.00 33.47 29.92 2win s TRP 457 CO -0.00 0.54 0.78 0.39 0.02 0.00 0.00 176.95 178.68 2win n GLU 458 N 2.12 0.34 -1.63 4.98 -0.58 -1.26 -4.06 120.64 120.54 2win n GLU 458 Ca -0.11 -1.04 -0.41 0.00 -0.42 0.00 0.00 57.16 55.18 2win n GLU 458 Cb 0.52 -1.15 0.02 0.00 -0.57 0.00 0.00 31.44 30.26 2win n GLU 458 CO 0.00 0.00 0.00 -2.39 -0.48 0.00 0.00 177.13 174.26 2win n HIS 459 N 0.40 1.34 0.24 -0.32 1.44 -1.26 -4.86 115.22 112.20 2win n HIS 459 Ca 0.05 0.52 0.08 0.00 -2.01 0.00 0.00 57.72 56.36 2win n HIS 459 Cb 0.21 -2.25 0.60 0.00 0.12 0.00 0.00 29.99 28.67 2win n HIS 459 CO 0.00 0.00 0.00 -0.09 -2.81 0.00 0.00 176.34 173.44 2win h ARG 460 N 1.47 0.00 -0.58 -1.40 2.43 -1.94 -1.43 114.38 112.94 2win h ARG 460 Ca -0.46 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 2win h ARG 460 Cb 1.33 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.88 2win h ARG 460 CO 0.56 0.13 0.00 1.63 -1.51 0.00 0.00 179.97 180.79 2win n LYS 461 N -4.16 1.14 -3.76 0.20 4.76 -1.26 -4.82 118.16 110.26 2win n LYS 461 Ca -0.02 -0.13 -0.35 0.00 -2.87 0.00 0.00 58.31 54.93 2win n LYS 461 Cb 0.21 -1.32 -0.08 0.00 -1.84 0.00 0.00 35.03 32.00 2win n LYS 461 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2win s GLY 462 N -0.44 2.06 1.20 0.72 0.00 -0.54 -5.09 107.32 105.22 2win s GLY 462 Ca 0.02 -0.68 -0.16 0.00 0.00 0.00 0.00 44.72 43.90 2win s GLY 462 CO 0.01 0.05 1.03 -0.51 0.00 0.00 0.00 173.10 173.68 2win s THR 463 N 0.12 1.77 0.29 0.90 -4.23 -1.26 -4.81 115.64 108.41 2win s THR 463 Ca 0.09 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 60.62 2win s THR 463 Cb -0.11 -2.23 0.29 0.00 1.34 0.00 0.00 72.50 71.78 2win s THR 463 CO -0.01 0.00 1.85 0.44 -0.54 0.00 0.00 174.62 176.36 2win h ASP 464 N -2.65 0.90 1.09 3.99 3.45 -1.99 -0.74 116.42 120.47 2win h ASP 464 Ca -0.54 0.04 0.00 0.00 0.43 0.00 0.00 57.03 56.96 2win h ASP 464 Cb 1.33 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 39.96 2win h ASP 464 CO 0.45 0.49 0.00 -1.22 -1.57 0.00 0.00 179.24 177.39 2win n TYR 465 N -4.60 0.20 0.48 4.55 4.01 -1.26 -1.26 117.16 119.27 2win n TYR 465 Ca 0.18 0.06 0.13 0.00 -0.16 0.00 0.00 57.90 58.11 2win n TYR 465 Cb 0.35 -0.60 0.46 0.00 -0.31 0.00 0.00 39.34 39.24 2win n TYR 465 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2win h HIS 466 N 0.00 0.00 0.00 -0.72 3.86 -1.34 -2.56 115.15 114.39 2win h HIS 466 Ca 0.00 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.03 2win h HIS 466 Cb 0.54 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.98 2win h HIS 466 CO 0.00 0.00 -1.87 1.63 0.86 0.00 0.00 177.93 178.55 2win n LYS 467 N -2.34 1.39 -3.37 2.45 5.02 -0.63 -2.67 118.16 118.02 2win n LYS 467 Ca 0.04 -0.04 -0.26 0.00 -2.02 0.00 0.00 58.31 56.02 2win n LYS 467 Cb 0.33 -1.35 -0.09 0.00 -0.02 0.00 0.00 35.03 33.90 2win n LYS 467 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2win n GLN 468 N -2.37 1.07 -0.20 1.97 3.00 -0.39 -4.85 117.38 115.61 2win n GLN 468 Ca -0.17 -3.65 -0.03 0.00 -0.01 0.00 0.00 57.00 53.14 2win n GLN 468 Cb 0.79 -1.66 0.15 0.00 0.00 0.00 0.00 30.24 29.53 2win n GLN 468 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.06 175.71 2win h PRO 469 N 4.60 0.99 -0.01 -1.09 0.11 -1.65 -2.72 132.00 132.23 2win h PRO 469 Ca 0.16 -0.17 -0.08 0.00 0.11 0.00 0.00 66.00 66.02 2win h PRO 469 Cb 0.83 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.76 2win h PRO 469 CO 0.54 0.81 -0.36 0.11 -0.21 0.00 0.00 178.00 178.90 2win h TRP 470 N 0.97 0.03 -2.68 0.65 0.09 -1.67 -3.25 115.95 110.09 2win h TRP 470 Ca 0.23 -0.01 -0.60 0.00 0.09 0.00 0.00 58.89 58.60 2win h TRP 470 Cb 0.20 -0.01 0.10 0.00 0.08 0.00 0.00 29.16 29.54 2win h TRP 470 CO 0.02 0.38 0.29 0.94 0.09 0.00 0.00 178.44 180.16 2win n GLN 471 N -4.11 1.61 -3.85 0.12 -0.06 -1.03 -1.07 117.38 109.00 2win n GLN 471 Ca -0.02 0.57 -0.12 0.00 -2.00 0.00 0.00 57.00 55.43 2win n GLN 471 Cb 0.40 -2.03 -0.12 0.00 -4.06 0.00 0.00 30.24 24.42 2win n GLN 471 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2win s ALA 472 N -0.90 -0.28 -0.30 1.69 0.00 0.13 -4.53 121.76 117.57 2win s ALA 472 Ca 0.60 0.21 -0.07 0.00 0.00 0.00 0.00 51.96 52.70 2win s ALA 472 Cb -0.67 -0.13 0.01 0.00 0.00 0.00 0.00 23.12 22.33 2win s ALA 472 CO 0.59 -0.09 0.09 0.21 0.00 0.00 0.00 175.76 176.56 2win s LYS 473 N -0.25 3.04 -0.06 0.00 2.20 0.10 -0.93 119.74 123.83 2win s LYS 473 Ca -0.03 -0.90 -0.03 0.00 -0.36 0.00 0.00 55.97 54.65 2win s LYS 473 Cb -0.02 -3.40 -0.04 0.00 -1.51 0.00 0.00 37.83 32.86 2win s LYS 473 CO 0.00 -0.48 0.10 0.42 -0.36 0.00 0.00 175.35 175.04 2win s ILE 474 N 1.49 5.03 -0.01 5.43 1.01 -0.06 -0.01 121.20 134.08 2win s ILE 474 Ca 0.02 -0.13 0.05 0.00 0.00 0.00 0.00 60.65 60.58 2win s ILE 474 Cb -0.17 -3.24 -0.01 0.00 0.01 0.00 0.00 42.46 39.04 2win s ILE 474 CO 0.03 0.48 -0.15 -0.44 0.00 0.00 0.00 174.94 174.86 2win s SER 475 N -1.39 1.75 -0.25 3.58 0.01 -0.40 -2.23 113.70 114.76 2win s SER 475 Ca 0.19 -0.28 0.02 0.00 1.31 0.00 0.00 55.95 57.19 2win s SER 475 Cb -0.12 -0.19 0.06 0.00 0.21 0.00 0.00 66.02 65.98 2win s SER 475 CO 0.09 0.18 -0.07 -0.69 0.41 0.00 0.00 173.24 173.16 2win s VAL 476 N -0.37 1.79 -0.13 3.43 1.01 -0.90 -1.67 120.40 123.55 2win s VAL 476 Ca 0.06 -1.42 -0.05 0.00 0.00 0.00 0.00 61.98 60.57 2win s VAL 476 Cb -0.06 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 2win s VAL 476 CO -0.00 -0.10 0.03 -0.63 0.00 0.00 0.00 175.10 174.40 2win s ILE 477 N 1.27 4.57 -0.15 2.22 1.01 0.21 -2.05 121.20 128.29 2win s ILE 477 Ca -0.06 -0.13 -0.30 0.00 0.00 0.00 0.00 60.65 60.16 2win s ILE 477 Cb -0.19 -2.99 0.11 0.00 0.01 0.00 0.00 42.46 39.40 2win s ILE 477 CO -0.06 0.54 0.92 -0.60 0.00 0.00 0.00 174.94 175.74 2win s ARG 478 N -0.32 0.71 -0.10 2.79 3.52 -1.26 -4.68 118.95 119.60 2win s ARG 478 Ca 0.08 0.24 -0.40 0.00 -0.13 0.00 0.00 55.73 55.52 2win s ARG 478 Cb -0.12 0.33 -0.18 0.00 -1.56 0.00 0.00 34.95 33.43 2win s ARG 478 CO 0.02 -0.21 1.42 -2.30 -0.81 0.00 0.00 175.30 173.42 2win n PRO 479 N 0.96 0.75 -0.94 5.12 -0.02 -1.26 -0.31 135.00 139.30 2win n PRO 479 Ca -0.13 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 2win n PRO 479 Cb 0.57 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 2win n PRO 479 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2win n SER 480 N 3.23 -4.96 -0.71 2.55 2.88 -1.26 -4.76 113.62 110.59 2win n SER 480 Ca 0.22 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.88 2win n SER 480 Cb 0.12 -3.09 0.14 0.00 -0.75 0.00 0.00 64.21 60.64 2win n SER 480 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2win n LYS 481 N 0.27 1.80 0.00 -1.46 4.81 0.57 -5.00 118.16 119.15 2win n LYS 481 Ca 0.00 -1.42 0.00 0.00 -0.87 0.00 0.00 58.31 56.02 2win n LYS 481 Cb 0.39 -1.47 0.00 0.00 0.02 0.00 0.00 35.03 33.97 2win n LYS 481 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2win n GLY 482 N 1.35 0.34 3.57 3.14 0.00 -1.24 -4.23 105.19 108.11 2win n GLY 482 Ca 0.13 0.68 -0.01 0.00 0.00 0.00 0.00 46.02 46.82 2win n GLY 482 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2win s HIS 483 N 0.00 -1.04 -0.18 1.61 0.00 -1.26 -4.49 115.29 109.93 2win s HIS 483 Ca 0.00 1.84 -0.15 0.00 -3.00 0.00 0.00 55.06 53.75 2win s HIS 483 Cb 0.00 0.62 -0.04 0.00 -4.00 0.00 0.00 32.58 29.16 2win s HIS 483 CO 0.00 -0.52 0.34 -2.00 -1.00 0.00 0.00 174.74 171.57 2win s GLU 484 N 2.51 4.21 -0.24 -0.38 2.56 -0.87 -4.95 118.70 121.55 2win s GLU 484 Ca -0.05 0.14 -0.08 0.00 0.00 0.00 0.00 54.97 54.98 2win s GLU 484 Cb -0.09 -3.48 -0.03 0.00 2.00 0.00 0.00 34.13 32.53 2win s GLU 484 CO -0.18 0.09 0.08 0.45 -0.56 0.00 0.00 175.26 175.14 2win s SER 485 N 0.79 5.29 0.21 -1.70 0.15 -1.26 -2.12 113.70 115.06 2win s SER 485 Ca 0.18 -0.14 -0.00 0.00 0.70 0.00 0.00 55.95 56.69 2win s SER 485 Cb -0.14 -1.94 -0.04 0.00 -1.71 0.00 0.00 66.02 62.18 2win s SER 485 CO 0.06 0.00 0.11 0.00 1.20 0.00 0.00 173.24 174.61 2win s MET 487 N -4.10 1.74 0.31 0.00 -1.94 0.05 -0.88 119.30 114.48 2win s MET 487 Ca 0.37 -1.99 -0.19 0.00 -1.71 0.00 0.00 55.69 52.17 2win s MET 487 Cb 0.07 -0.92 0.05 0.00 2.01 0.00 0.00 34.83 36.05 2win s MET 487 CO 0.11 -0.23 0.83 0.20 -0.01 0.00 0.00 175.02 175.93 2win s GLY 488 N -3.54 0.18 -0.05 -0.03 0.00 -0.11 -4.17 107.32 99.60 2win s GLY 488 Ca 0.33 -0.51 0.03 0.00 0.00 0.00 0.00 44.72 44.57 2win s GLY 488 CO 0.15 0.23 -0.12 0.00 0.00 0.00 0.00 173.10 173.36 2win s ALA 489 N -2.71 1.16 -0.30 3.20 0.00 -0.14 -0.70 121.76 122.26 2win s ALA 489 Ca 0.15 -0.42 -0.28 0.00 0.00 0.00 0.00 51.96 51.41 2win s ALA 489 Cb -0.05 -0.47 -0.02 0.00 0.00 0.00 0.00 23.12 22.58 2win s ALA 489 CO 0.09 0.15 1.81 0.08 0.00 0.00 0.00 175.76 177.88 2win s VAL 490 N 0.41 3.46 -0.11 0.00 1.01 -0.23 -0.74 120.40 124.19 2win s VAL 490 Ca -0.09 0.48 0.21 0.00 0.00 0.00 0.00 61.98 62.58 2win s VAL 490 Cb -0.13 -3.60 -0.23 0.00 0.00 0.00 0.00 36.38 32.43 2win s VAL 490 CO 0.02 -0.37 0.59 1.33 0.00 0.00 0.00 175.10 176.67 2win n VAL 491 N 7.32 0.50 -3.84 2.92 0.24 -1.04 -0.40 118.33 124.03 2win n VAL 491 Ca 0.23 -0.59 -0.09 0.00 -2.04 0.00 0.00 64.34 61.85 2win n VAL 491 Cb 0.46 -0.24 0.01 0.00 -1.47 0.00 0.00 33.84 32.60 2win n VAL 491 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2win s SER 492 N -5.01 0.03 0.55 -1.34 0.15 -1.13 -4.75 113.70 102.20 2win s SER 492 Ca -0.06 -1.08 0.23 0.00 0.70 0.00 0.00 55.95 55.73 2win s SER 492 Cb 0.11 0.82 1.54 0.00 -1.71 0.00 0.00 66.02 66.77 2win s SER 492 CO 0.86 -1.60 2.20 -0.33 1.20 0.00 0.00 173.24 175.57 2win h GLU 493 N 2.01 0.00 0.00 5.44 5.08 -1.90 -3.11 114.58 122.11 2win h GLU 493 Ca -0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 2win h GLU 493 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2win h GLU 493 CO 0.38 0.00 -0.37 0.66 -1.00 0.00 0.00 179.01 178.68 2win n TYR 494 N -4.21 0.00 -4.40 4.33 4.02 -1.26 -1.75 117.16 113.89 2win n TYR 494 Ca -0.03 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.57 2win n TYR 494 Cb 0.09 -0.02 -0.12 0.00 -0.02 0.00 0.00 39.34 39.27 2win n TYR 494 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 2win s PHE 495 N -1.49 2.46 -0.07 -0.72 0.40 -1.18 0.69 117.98 118.07 2win s PHE 495 Ca 0.01 -0.31 -0.01 0.00 -0.60 0.00 0.00 56.93 56.02 2win s PHE 495 Cb 0.02 -1.33 0.03 0.00 0.51 0.00 0.00 43.02 42.25 2win s PHE 495 CO 0.12 0.35 -0.02 0.08 0.70 0.00 0.00 175.22 176.44 2win s VAL 496 N -1.08 0.51 -0.03 -0.44 1.01 -0.46 -2.50 120.40 117.42 2win s VAL 496 Ca 0.16 0.00 -0.21 0.00 0.00 0.00 0.00 61.98 61.93 2win s VAL 496 Cb -0.10 -0.61 -0.05 0.00 0.00 0.00 0.00 36.38 35.61 2win s VAL 496 CO 0.08 0.27 0.62 -0.22 0.00 0.00 0.00 175.10 175.84 2win s LEU 497 N 1.67 4.38 0.27 3.92 2.96 0.08 -1.29 118.68 130.66 2win s LEU 497 Ca 0.01 1.15 -0.18 0.00 -0.22 0.00 0.00 54.13 54.88 2win s LEU 497 Cb -0.13 -2.95 0.01 0.00 0.50 0.00 0.00 46.19 43.62 2win s LEU 497 CO -0.04 0.03 0.64 0.28 -1.32 0.00 0.00 176.35 175.94 2win s THR 498 N 0.14 0.00 0.59 3.68 -1.32 -1.07 -0.97 115.64 116.69 2win s THR 498 Ca 0.32 -1.11 -0.20 0.00 -1.21 0.00 0.00 61.69 59.50 2win s THR 498 Cb -0.18 -2.04 -0.03 0.00 -1.51 0.00 0.00 72.50 68.74 2win s THR 498 CO 0.17 -0.00 1.34 0.00 -2.21 0.00 0.00 174.62 173.91 2win s ALA 499 N -3.95 2.65 -1.72 11.08 0.00 -1.26 -1.73 121.76 126.83 2win s ALA 499 Ca 0.14 1.29 0.26 0.00 0.00 0.00 0.00 51.96 53.65 2win s ALA 499 Cb -0.04 -3.56 0.67 0.00 0.00 0.00 0.00 23.12 20.18 2win s ALA 499 CO 0.07 -1.47 1.51 0.00 0.00 0.00 0.00 175.76 175.88 2win n ALA 500 N -1.37 3.17 1.23 0.00 0.00 -1.21 -3.82 120.51 118.51 2win n ALA 500 Ca 0.13 -0.42 0.13 0.00 0.00 0.00 0.00 53.44 53.27 2win n ALA 500 Cb 0.46 -1.10 0.37 0.00 0.00 0.00 0.00 19.45 19.18 2win n ALA 500 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 2win n HIS 501 N -0.67 0.08 0.60 0.00 1.44 -1.26 -3.78 115.22 111.62 2win n HIS 501 Ca 0.11 -0.04 0.12 0.00 -2.01 0.00 0.00 57.72 55.91 2win n HIS 501 Cb 0.36 0.00 0.24 0.00 0.12 0.00 0.00 29.99 30.70 2win n HIS 501 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2win n PHE 503 N -2.13 0.63 -3.56 0.00 3.01 -1.25 -4.98 117.46 109.18 2win n PHE 503 Ca 0.04 -2.48 -0.11 0.00 1.01 0.00 0.00 57.45 55.91 2win n PHE 503 Cb 0.43 -0.16 -0.02 0.00 -0.01 0.00 0.00 39.48 39.72 2win n PHE 503 CO 0.00 0.00 0.00 -0.08 1.01 0.00 0.00 176.76 177.69 2win s THR 504 N -2.91 0.00 0.53 4.37 -1.32 -1.26 -5.02 115.64 110.03 2win s THR 504 Ca 0.10 -0.31 0.25 0.00 -1.21 0.00 0.00 61.69 60.52 2win s THR 504 Cb 0.01 -1.30 0.39 0.00 -1.51 0.00 0.00 72.50 70.09 2win s THR 504 CO 0.07 -0.01 2.00 0.58 -2.21 0.00 0.00 174.62 175.05 2win h VAL 505 N 2.01 0.74 -0.37 5.08 2.07 -2.01 -1.41 116.25 122.37 2win h VAL 505 Ca -0.30 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.06 2win h VAL 505 Cb 1.29 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 31.80 2win h VAL 505 CO 0.34 0.00 -0.41 0.44 0.02 0.00 0.00 177.57 177.96 2win h ASP 506 N 0.00 1.00 -2.67 0.57 3.45 -2.05 -3.44 116.42 113.28 2win h ASP 506 Ca 0.24 -0.47 -0.52 0.00 0.43 0.00 0.00 57.03 56.71 2win h ASP 506 Cb 0.98 -0.28 0.06 0.00 -0.56 0.00 0.00 39.33 39.52 2win h ASP 506 CO -0.00 1.27 1.01 -1.81 -1.57 0.00 0.00 179.24 178.14 2win s ASP 507 N -6.86 6.41 0.78 6.45 1.01 -0.53 -5.00 116.67 118.92 2win s ASP 507 Ca -0.11 2.83 -0.05 0.00 0.71 0.00 0.00 52.55 55.93 2win s ASP 507 Cb 0.11 -2.60 0.14 0.00 1.01 0.00 0.00 42.92 41.59 2win s ASP 507 CO 0.88 -0.96 1.08 -0.54 0.21 0.00 0.00 175.17 175.84 2win s LYS 508 N 1.34 1.44 0.00 8.23 -0.14 -1.26 -4.84 119.74 124.51 2win s LYS 508 Ca 0.75 -0.91 0.27 0.00 -1.36 0.00 0.00 55.97 54.72 2win s LYS 508 Cb -0.49 -2.20 0.83 0.00 -1.68 0.00 0.00 37.83 34.29 2win s LYS 508 CO 0.32 -1.68 1.64 0.39 -0.76 0.00 0.00 175.35 175.27 2win n GLU 509 N -3.07 0.01 -0.15 1.68 4.71 -1.26 -3.22 120.64 119.35 2win n GLU 509 Ca 0.15 -0.01 0.07 0.00 -0.01 0.00 0.00 57.16 57.37 2win n GLU 509 Cb 0.60 -1.50 0.15 0.00 -1.01 0.00 0.00 31.44 29.69 2win n GLU 509 CO 0.00 0.00 0.00 -2.39 0.09 0.00 0.00 177.13 174.83 2win n HIS 510 N -1.49 0.39 0.78 -0.32 1.44 -1.26 -4.05 115.22 110.72 2win n HIS 510 Ca 0.06 -0.32 0.10 0.00 -2.01 0.00 0.00 57.72 55.55 2win n HIS 510 Cb 0.34 -0.01 0.09 0.00 0.12 0.00 0.00 29.99 30.53 2win n HIS 510 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 2win n SER 511 N 0.85 2.72 -4.05 4.39 3.41 -1.20 -4.88 113.62 114.86 2win n SER 511 Ca 0.13 -1.84 -0.31 0.00 -0.26 0.00 0.00 58.87 56.58 2win n SER 511 Cb 0.44 -0.02 -0.16 0.00 -0.26 0.00 0.00 64.21 64.21 2win n SER 511 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2win s ILE 512 N -1.64 1.80 -0.10 -1.33 1.01 -1.25 -0.62 121.20 119.07 2win s ILE 512 Ca 0.24 -0.91 0.04 0.00 0.00 0.00 0.00 60.65 60.02 2win s ILE 512 Cb 0.17 -1.73 0.00 0.00 0.01 0.00 0.00 42.46 40.91 2win s ILE 512 CO 0.25 0.38 -0.23 -0.54 0.00 0.00 0.00 174.94 174.80 2win s LYS 513 N 1.37 2.98 -0.21 2.79 -0.14 -0.67 -4.09 119.74 121.77 2win s LYS 513 Ca 0.02 -0.85 -0.08 0.00 -1.36 0.00 0.00 55.97 53.70 2win s LYS 513 Cb -0.14 -2.28 -0.04 0.00 -1.68 0.00 0.00 37.83 33.69 2win s LYS 513 CO -0.10 0.15 0.09 0.08 -0.76 0.00 0.00 175.35 174.80 2win s VAL 514 N 0.42 4.83 -0.31 3.17 1.01 -0.93 -1.28 120.40 127.32 2win s VAL 514 Ca -0.17 -0.01 -0.07 0.00 0.00 0.00 0.00 61.98 61.72 2win s VAL 514 Cb -0.18 -3.21 0.01 0.00 0.00 0.00 0.00 36.38 33.00 2win s VAL 514 CO 0.07 0.41 0.10 -0.55 0.00 0.00 0.00 175.10 175.13 2win s SER 515 N 0.77 5.25 0.00 3.32 0.15 0.98 -1.14 113.70 123.04 2win s SER 515 Ca 0.05 -0.74 0.00 0.00 0.70 0.00 0.00 55.95 55.95 2win s SER 515 Cb -0.13 -1.91 0.00 0.00 -1.71 0.00 0.00 66.02 62.27 2win s SER 515 CO 0.02 -0.22 0.19 0.52 1.20 0.00 0.00 173.24 174.95 2win n VAL 516 N 4.89 0.00 -3.66 4.45 0.31 -1.26 0.01 118.33 123.07 2win n VAL 516 Ca -0.14 0.42 -0.19 0.00 -0.01 0.00 0.00 64.34 64.42 2win n VAL 516 Cb 0.48 -0.88 -0.17 0.00 -0.91 0.00 0.00 33.84 32.36 2win n VAL 516 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2win s GLY 517 N -0.45 0.15 0.00 2.92 0.00 -1.26 -4.16 107.32 104.52 2win s GLY 517 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 44.72 45.03 2win s GLY 517 CO 0.00 1.57 0.00 0.61 0.00 0.00 0.00 173.10 175.28 2win n GLY 518 N 5.31 1.11 3.70 0.20 0.00 -1.26 -4.87 105.19 109.37 2win n GLY 518 Ca -0.04 0.12 -0.57 0.00 0.00 0.00 0.00 46.02 45.52 2win n GLY 518 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2win n GLU 519 N 0.00 1.08 -0.72 1.61 4.71 -1.26 -4.79 120.64 121.27 2win n GLU 519 Ca 0.00 0.39 -0.06 0.00 -0.01 0.00 0.00 57.16 57.48 2win n GLU 519 Cb 0.00 -2.06 -0.09 0.00 -1.01 0.00 0.00 31.44 28.28 2win n GLU 519 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2win n LYS 520 N 4.92 1.44 -3.68 3.49 5.02 -1.26 -4.70 118.16 123.39 2win n LYS 520 Ca 0.26 -0.53 -0.38 0.00 -2.02 0.00 0.00 58.31 55.64 2win n LYS 520 Cb 0.13 -1.57 -0.09 0.00 -0.02 0.00 0.00 35.03 33.47 2win n LYS 520 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2win s ARG 521 N 0.76 2.53 0.53 1.97 3.52 -1.26 -5.08 118.95 121.92 2win s ARG 521 Ca 0.35 -2.30 -0.22 0.00 -0.13 0.00 0.00 55.73 53.43 2win s ARG 521 Cb 0.17 -3.79 -0.06 0.00 -1.56 0.00 0.00 34.95 29.72 2win s ARG 521 CO 0.00 -1.17 1.39 -0.51 -0.81 0.00 0.00 175.30 174.20 2win s ASP 522 N 1.28 5.36 -0.15 -2.12 1.11 -1.26 -4.77 116.67 116.11 2win s ASP 522 Ca 0.14 2.84 -0.01 0.00 0.18 0.00 0.00 52.55 55.69 2win s ASP 522 Cb -0.21 -2.64 -0.02 0.00 1.07 0.00 0.00 42.92 41.13 2win s ASP 522 CO -0.04 -1.52 -0.10 -0.76 1.18 0.00 0.00 175.17 173.93 2win s LEU 523 N -3.36 2.82 0.19 1.23 1.43 -0.29 -4.92 118.68 115.79 2win s LEU 523 Ca 0.69 -0.30 -0.30 0.00 -1.03 0.00 0.00 54.13 53.19 2win s LEU 523 Cb -0.42 -1.65 -0.08 0.00 0.03 0.00 0.00 46.19 44.06 2win s LEU 523 CO 0.51 0.14 1.26 -1.61 0.23 0.00 0.00 176.35 176.88 2win s GLU 524 N 0.49 4.43 0.50 1.70 2.02 -1.26 -2.19 118.70 124.39 2win s GLU 524 Ca -0.08 1.98 -0.02 0.00 0.02 0.00 0.00 54.97 56.88 2win s GLU 524 Cb -0.15 -3.22 0.00 0.00 0.10 0.00 0.00 34.13 30.86 2win s GLU 524 CO 0.04 -0.19 0.75 0.96 0.02 0.00 0.00 175.26 176.84 2win s ILE 525 N 0.07 3.81 -0.27 -1.63 -4.36 -1.26 -1.57 121.20 115.99 2win s ILE 525 Ca 0.55 -0.34 -0.09 0.00 -0.26 0.00 0.00 60.65 60.52 2win s ILE 525 Cb -0.35 -3.44 -0.14 0.00 1.25 0.00 0.00 42.46 39.78 2win s ILE 525 CO 0.37 -0.36 -0.29 1.21 0.24 0.00 0.00 174.94 176.11 2win n GLU 526 N -2.26 0.61 -3.59 0.37 2.13 0.69 -4.45 120.64 114.14 2win n GLU 526 Ca 0.03 0.23 -0.10 0.00 0.66 0.00 0.00 57.16 57.97 2win n GLU 526 Cb 0.58 -1.51 -0.06 0.00 0.27 0.00 0.00 31.44 30.72 2win n GLU 526 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2win s VAL 527 N -2.51 0.00 -0.33 6.31 0.11 -1.20 -4.96 120.40 117.82 2win s VAL 527 Ca -0.37 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 58.56 2win s VAL 527 Cb 0.13 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.96 2win s VAL 527 CO 0.53 0.00 0.22 -0.69 -3.33 0.00 0.00 175.10 171.83 2win s VAL 528 N -0.70 5.07 -0.86 2.04 1.01 -1.26 -2.50 120.40 123.20 2win s VAL 528 Ca -0.01 -0.30 -0.18 0.00 0.00 0.00 0.00 61.98 61.49 2win s VAL 528 Cb -0.02 -3.61 0.14 0.00 0.00 0.00 0.00 36.38 32.89 2win s VAL 528 CO -0.00 0.00 1.01 -0.76 0.00 0.00 0.00 175.10 175.35 2win s LEU 529 N 1.69 5.32 0.46 3.92 1.43 0.24 -4.98 118.68 126.76 2win s LEU 529 Ca 0.06 -2.00 -0.23 0.00 -1.03 0.00 0.00 54.13 50.92 2win s LEU 529 Cb -0.17 -2.36 -0.07 0.00 0.03 0.00 0.00 46.19 43.61 2win s LEU 529 CO 0.09 -1.02 1.16 -0.36 0.23 0.00 0.00 176.35 176.45 2win s PHE 530 N 2.38 2.88 0.15 0.29 0.40 -1.26 -2.21 117.98 120.60 2win s PHE 530 Ca 0.27 1.54 -0.31 0.00 -0.60 0.00 0.00 56.93 57.83 2win s PHE 530 Cb -0.09 -3.37 -0.08 0.00 0.51 0.00 0.00 43.02 39.99 2win s PHE 530 CO -0.06 -1.48 1.40 -1.58 0.70 0.00 0.00 175.22 174.20 2win s HIS 531 N -1.56 3.21 0.51 0.36 5.65 -1.05 -4.90 115.29 117.52 2win s HIS 531 Ca 0.64 0.98 0.25 0.00 0.25 0.00 0.00 55.06 57.18 2win s HIS 531 Cb -0.28 -3.70 1.35 0.00 -1.18 0.00 0.00 32.58 28.76 2win s HIS 531 CO 0.34 -2.41 1.94 -1.35 -0.65 0.00 0.00 174.74 172.61 2win h PRO 532 N 6.40 0.09 -0.04 2.88 0.11 -1.93 0.65 132.00 140.16 2win h PRO 532 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2win h PRO 532 Cb 1.21 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2win h PRO 532 CO 0.85 0.06 0.00 0.09 -0.21 0.00 0.00 178.00 178.79 2win n ASN 533 N -4.37 1.76 -4.75 -2.05 5.03 -1.26 -4.92 115.26 104.69 2win n ASN 533 Ca 0.14 -1.60 -0.41 0.00 0.87 0.00 0.00 54.58 53.58 2win n ASN 533 Cb 0.72 -0.02 -0.03 0.00 -1.02 0.00 0.00 39.78 39.43 2win n ASN 533 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 2win s TYR 534 N -1.97 3.37 -0.30 3.10 5.04 0.22 -4.74 117.35 122.07 2win s TYR 534 Ca 0.36 1.48 -0.12 0.00 -2.44 0.00 0.00 57.07 56.35 2win s TYR 534 Cb 0.21 -3.46 0.17 0.00 0.35 0.00 0.00 41.96 39.23 2win s TYR 534 CO 0.32 -1.24 0.96 1.21 -1.34 0.00 0.00 175.55 175.47 2win s ASN 535 N -0.30 -0.64 0.04 4.32 3.84 -1.26 -4.99 114.94 115.95 2win s ASN 535 Ca 0.50 0.55 0.25 0.00 0.21 0.00 0.00 52.86 54.37 2win s ASN 535 Cb -0.35 1.60 0.51 0.00 -0.55 0.00 0.00 41.25 42.46 2win s ASN 535 CO 0.42 -0.12 1.42 0.00 -2.79 0.00 0.00 177.10 176.03 2win n ILE 536 N 5.29 0.13 -0.79 -5.21 3.06 -1.22 -3.76 119.36 116.84 2win n ILE 536 Ca -0.07 -0.10 0.08 0.00 -2.50 0.00 0.00 62.75 60.16 2win n ILE 536 Cb 0.53 0.05 0.13 0.00 0.54 0.00 0.00 39.64 40.89 2win n ILE 536 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 2win n ASN 537 N -1.72 2.56 0.33 9.51 3.02 -1.26 -1.49 115.26 126.20 2win n ASN 537 Ca 0.05 -2.80 0.22 0.00 -0.03 0.00 0.00 54.58 52.01 2win n ASN 537 Cb 0.37 -0.35 1.17 0.00 -0.61 0.00 0.00 39.78 40.37 2win n ASN 537 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 2win h GLY 538 N 0.40 0.00 -6.02 7.41 0.00 -1.90 -3.07 103.07 99.89 2win h GLY 538 Ca 0.00 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 46.69 2win h GLY 538 CO 0.04 0.00 -0.31 0.28 0.00 0.00 0.00 176.54 176.54 2win n LYS 539 N -3.21 3.21 0.00 4.80 4.01 -1.26 -4.75 118.16 120.96 2win n LYS 539 Ca -0.03 -4.72 0.13 0.00 -0.51 0.00 0.00 58.31 53.18 2win n LYS 539 Cb 0.07 -2.30 0.51 0.00 -0.51 0.00 0.00 35.03 32.80 2win n LYS 539 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 2win n LYS 540 N 0.51 0.01 -0.08 1.97 3.00 -1.16 -3.19 118.16 119.21 2win n LYS 540 Ca 0.31 -0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.49 2win n LYS 540 Cb 0.38 -1.50 -0.07 0.00 0.00 0.00 0.00 35.03 33.85 2win n LYS 540 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2win n GLU 541 N -1.50 0.38 0.11 1.64 4.71 -1.26 -4.69 120.64 120.03 2win n GLU 541 Ca 0.07 0.11 -0.02 0.00 -0.01 0.00 0.00 57.16 57.31 2win n GLU 541 Cb 0.34 -1.23 0.22 0.00 -1.01 0.00 0.00 31.44 29.75 2win n GLU 541 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2win h ALA 542 N -0.22 1.08 0.00 0.62 0.00 -1.93 -3.46 119.26 115.35 2win h ALA 542 Ca -0.38 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.09 2win h ALA 542 Cb 1.48 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2win h ALA 542 CO -0.13 0.63 0.00 0.41 0.00 0.00 0.00 179.25 180.16 2win n GLY 543 N -0.07 1.86 3.11 0.00 0.00 -1.26 -4.83 105.19 103.99 2win n GLY 543 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 2win n GLY 543 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2win s ILE 544 N -2.00 3.96 0.51 -0.61 1.01 -1.19 -4.85 121.20 118.04 2win s ILE 544 Ca 0.00 -3.21 0.28 0.00 0.00 0.00 0.00 60.65 57.72 2win s ILE 544 Cb 0.00 -3.54 0.45 0.00 0.01 0.00 0.00 42.46 39.38 2win s ILE 544 CO 0.00 -0.94 1.90 -0.65 0.00 0.00 0.00 174.94 175.24 2win h PRO 545 N 6.75 0.07 -4.05 2.79 0.11 -1.79 -3.39 132.00 132.50 2win h PRO 545 Ca 0.04 -0.00 -0.46 0.00 0.11 0.00 0.00 66.00 65.69 2win h PRO 545 Cb 0.92 -0.02 -0.36 0.00 0.11 0.00 0.00 31.00 31.65 2win h PRO 545 CO 0.75 0.05 -0.78 -1.21 -0.21 0.00 0.00 178.00 176.59 2win s GLU 546 N -5.07 1.05 -0.30 1.05 2.02 -1.25 -4.62 118.70 111.58 2win s GLU 546 Ca -0.06 -0.12 -0.02 0.00 0.02 0.00 0.00 54.97 54.80 2win s GLU 546 Cb 0.21 -1.12 0.05 0.00 0.10 0.00 0.00 34.13 33.37 2win s GLU 546 CO 0.77 -0.17 -0.00 0.12 0.02 0.00 0.00 175.26 176.00 2win s PHE 547 N 1.35 3.27 -1.66 1.61 5.36 -0.56 -4.98 117.98 122.37 2win s PHE 547 Ca -0.04 -1.90 0.16 0.00 -0.96 0.00 0.00 56.93 54.20 2win s PHE 547 Cb -0.14 -2.12 0.54 0.00 -0.34 0.00 0.00 43.02 40.96 2win s PHE 547 CO -0.03 -0.81 1.43 0.66 -1.46 0.00 0.00 175.22 175.02 2win n TYR 548 N 4.61 0.96 -1.98 10.12 4.02 -1.26 -3.43 117.16 130.19 2win n TYR 548 Ca -0.13 -0.42 -0.41 0.00 -0.01 0.00 0.00 57.90 56.93 2win n TYR 548 Cb 0.43 -0.09 -0.02 0.00 -0.02 0.00 0.00 39.34 39.64 2win n TYR 548 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2win s ASP 549 N -0.91 6.60 -1.23 7.72 2.15 -1.26 -2.91 116.67 126.82 2win s ASP 549 Ca 0.39 2.80 -0.04 0.00 0.43 0.00 0.00 52.55 56.13 2win s ASP 549 Cb 0.23 -2.65 -0.01 0.00 -0.30 0.00 0.00 42.92 40.19 2win s ASP 549 CO 0.23 -0.69 0.78 -1.22 -0.17 0.00 0.00 175.17 174.10 2win n TYR 550 N 1.23 -2.02 -2.18 -5.34 4.02 -1.26 -4.21 117.16 107.39 2win n TYR 550 Ca 0.03 0.79 -0.41 0.00 -0.01 0.00 0.00 57.90 58.30 2win n TYR 550 Cb 0.40 -4.29 0.00 0.00 -0.02 0.00 0.00 39.34 35.44 2win n TYR 550 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 2win n ASP 551 N -3.03 6.99 -4.01 7.72 4.64 -1.15 -4.14 116.55 123.57 2win n ASP 551 Ca -0.23 -3.17 -0.15 0.00 -1.38 0.00 0.00 54.79 49.85 2win n ASP 551 Cb 0.66 -1.38 -0.13 0.00 -1.04 0.00 0.00 41.12 39.22 2win n ASP 551 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 2win s VAL 552 N -0.90 0.52 -0.22 5.18 -7.23 -1.26 -3.32 120.40 113.17 2win s VAL 552 Ca 0.48 -0.58 -0.11 0.00 -1.81 0.00 0.00 61.98 59.96 2win s VAL 552 Cb 0.15 -0.50 0.08 0.00 0.56 0.00 0.00 36.38 36.67 2win s VAL 552 CO -0.05 -0.06 0.52 0.00 -0.31 0.00 0.00 175.10 175.20 2win s ALA 553 N -0.61 -1.41 0.29 1.32 0.00 -0.71 -2.51 121.76 118.14 2win s ALA 553 Ca -0.02 1.88 -0.14 0.00 0.00 0.00 0.00 51.96 53.68 2win s ALA 553 Cb -0.05 -1.21 -0.09 0.00 0.00 0.00 0.00 23.12 21.77 2win s ALA 553 CO 0.00 -0.43 0.69 -0.51 0.00 0.00 0.00 175.76 175.52 2win s LEU 554 N 1.77 4.10 -0.27 0.00 1.43 -0.94 -2.58 118.68 122.19 2win s LEU 554 Ca -0.08 1.20 0.01 0.00 -1.03 0.00 0.00 54.13 54.23 2win s LEU 554 Cb -0.08 -3.96 0.08 0.00 0.03 0.00 0.00 46.19 42.26 2win s LEU 554 CO -0.16 -0.16 -0.01 -0.63 0.23 0.00 0.00 176.35 175.63 2win s ILE 555 N -1.92 1.62 -0.45 -0.59 1.01 -0.41 -0.59 121.20 119.86 2win s ILE 555 Ca 0.52 -1.53 -0.27 0.00 0.00 0.00 0.00 60.65 59.37 2win s ILE 555 Cb -0.11 -2.00 0.03 0.00 0.01 0.00 0.00 42.46 40.39 2win s ILE 555 CO 0.18 -0.31 1.04 -0.75 0.00 0.00 0.00 174.94 175.10 2win s LYS 556 N 1.31 3.71 0.65 2.79 2.20 -1.04 -1.36 119.74 128.00 2win s LYS 556 Ca 0.00 0.48 -0.17 0.00 -0.36 0.00 0.00 55.97 55.93 2win s LYS 556 Cb -0.19 -3.89 -0.01 0.00 -1.51 0.00 0.00 37.83 32.24 2win s LYS 556 CO -0.10 -1.24 1.21 -0.51 -0.36 0.00 0.00 175.35 174.36 2win s LEU 557 N 4.05 3.52 0.48 5.43 1.43 0.22 -0.23 118.68 133.57 2win s LEU 557 Ca 0.43 2.39 0.27 0.00 -1.03 0.00 0.00 54.13 56.19 2win s LEU 557 Cb -0.09 -4.60 0.74 0.00 0.03 0.00 0.00 46.19 42.27 2win s LEU 557 CO 0.27 -1.87 1.75 0.50 0.23 0.00 0.00 176.35 177.23 2win h LYS 558 N 0.40 0.00 -6.27 1.70 3.64 -1.50 -3.40 116.57 111.13 2win h LYS 558 Ca -0.49 0.00 -0.60 0.00 -1.27 0.00 0.00 60.65 58.29 2win h LYS 558 Cb 1.30 0.00 -0.24 0.00 -0.41 0.00 0.00 32.23 32.88 2win h LYS 558 CO 0.53 0.03 -0.84 -0.80 -2.27 0.00 0.00 179.45 176.09 2win s ASN 559 N -6.02 2.66 0.18 4.20 0.01 -1.26 -4.97 114.94 109.73 2win s ASN 559 Ca 0.04 -0.62 -0.30 0.00 -0.71 0.00 0.00 52.86 51.28 2win s ASN 559 Cb 0.07 -0.19 -0.08 0.00 0.41 0.00 0.00 41.25 41.46 2win s ASN 559 CO 0.62 0.13 1.05 -0.75 -1.51 0.00 0.00 177.10 176.65 2win s LYS 560 N -1.56 4.65 0.08 -0.60 2.20 -1.26 -4.86 119.74 118.39 2win s LYS 560 Ca 0.08 1.65 -0.15 0.00 -0.36 0.00 0.00 55.97 57.19 2win s LYS 560 Cb -0.09 -3.29 -0.06 0.00 -1.51 0.00 0.00 37.83 32.87 2win s LYS 560 CO 0.03 0.17 0.50 -0.51 -0.36 0.00 0.00 175.35 175.18 2win s LEU 561 N -0.51 4.42 -0.28 5.43 1.43 -0.72 -5.06 118.68 123.39 2win s LEU 561 Ca 0.47 1.05 -0.07 0.00 -1.03 0.00 0.00 54.13 54.55 2win s LEU 561 Cb -0.28 -2.98 -0.00 0.00 0.03 0.00 0.00 46.19 42.96 2win s LEU 561 CO 0.34 0.21 0.07 -0.54 0.23 0.00 0.00 176.35 176.66 2win s LYS 562 N -1.55 3.27 0.24 1.70 3.01 -1.26 -4.86 119.74 120.30 2win s LYS 562 Ca 0.32 -0.74 -0.31 0.00 -1.01 0.00 0.00 55.97 54.23 2win s LYS 562 Cb -0.16 -3.35 -0.12 0.00 -1.01 0.00 0.00 37.83 33.19 2win s LYS 562 CO 0.18 -0.36 1.67 0.71 0.51 0.00 0.00 175.35 178.05 2win s TYR 563 N 1.53 2.84 0.34 3.18 4.12 -1.26 -4.92 117.35 123.18 2win s TYR 563 Ca 0.04 0.53 0.05 0.00 0.02 0.00 0.00 57.07 57.71 2win s TYR 563 Cb -0.16 -4.11 -0.02 0.00 -1.52 0.00 0.00 41.96 36.14 2win s TYR 563 CO 0.03 -4.02 0.20 0.41 0.02 0.00 0.00 175.55 172.18 2win n GLY 564 N 3.20 3.15 0.32 0.71 0.00 0.01 -4.96 105.19 107.63 2win n GLY 564 Ca 0.13 -1.99 0.19 0.00 0.00 0.00 0.00 46.02 44.35 2win n GLY 564 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2win h GLN 565 N 0.00 0.00 -0.01 1.61 7.50 -1.95 -1.36 115.11 120.90 2win h GLN 565 Ca -0.25 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.90 2win h GLN 565 Cb 1.11 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.64 2win h GLN 565 CO 0.39 0.00 -0.19 0.25 -1.50 0.00 0.00 178.83 177.78 2win n THR 566 N -3.48 0.00 -3.60 -0.54 -2.24 -1.26 -4.40 114.28 98.75 2win n THR 566 Ca -0.03 -0.40 -0.29 0.00 -2.27 0.00 0.00 64.05 61.06 2win n THR 566 Cb 0.08 1.17 -0.12 0.00 -2.10 0.00 0.00 70.33 69.35 2win n THR 566 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2win s ILE 567 N -1.42 0.91 0.09 2.28 1.01 -0.51 -4.32 121.20 119.23 2win s ILE 567 Ca 0.11 -2.29 0.06 0.00 0.00 0.00 0.00 60.65 58.52 2win s ILE 567 Cb 0.10 -1.64 -0.03 0.00 0.01 0.00 0.00 42.46 40.90 2win s ILE 567 CO 0.27 -0.95 -0.15 -0.13 0.00 0.00 0.00 174.94 173.98 2win s ARG 568 N 0.56 0.90 0.64 2.79 0.52 -1.23 -0.81 118.95 122.32 2win s ARG 568 Ca 0.19 -1.06 -0.14 0.00 -0.52 0.00 0.00 55.73 54.21 2win s ARG 568 Cb -0.22 -0.88 -0.02 0.00 0.52 0.00 0.00 34.95 34.35 2win s ARG 568 CO -0.01 0.19 1.06 -2.14 0.02 0.00 0.00 175.30 174.41 2win s PRO 569 N -2.04 3.17 0.19 3.54 0.02 -1.26 -2.00 135.00 136.62 2win s PRO 569 Ca 0.02 1.09 0.04 0.00 0.02 0.00 0.00 61.00 62.16 2win s PRO 569 Cb -0.08 -2.02 -0.03 0.00 0.02 0.00 0.00 34.50 32.39 2win s PRO 569 CO 0.03 -0.92 0.30 -1.50 -0.33 0.00 0.00 177.00 174.58 2win s ILE 570 N -2.72 5.21 0.07 2.83 2.07 0.46 -1.03 121.20 128.09 2win s ILE 570 Ca 0.61 -0.87 -0.28 0.00 -1.41 0.00 0.00 60.65 58.71 2win s ILE 570 Cb -0.15 -3.75 -0.05 0.00 0.13 0.00 0.00 42.46 38.63 2win s ILE 570 CO 0.45 -0.20 0.87 0.00 -1.91 0.00 0.00 174.94 174.14 2win s LEU 572 N 0.05 3.83 0.67 0.00 1.43 -1.26 -1.05 118.68 122.34 2win s LEU 572 Ca 0.43 0.13 -0.17 0.00 -1.03 0.00 0.00 54.13 53.49 2win s LEU 572 Cb -0.22 -2.21 -0.01 0.00 0.03 0.00 0.00 46.19 43.78 2win s LEU 572 CO 0.26 0.28 1.17 -2.65 0.23 0.00 0.00 176.35 175.64 2win n PRO 573 N 1.26 0.88 -3.48 1.29 -0.02 -1.26 -3.73 135.00 129.95 2win n PRO 573 Ca -0.14 0.36 -0.19 0.00 -2.02 0.00 0.00 63.50 61.51 2win n PRO 573 Cb 0.53 -2.40 0.07 0.00 -0.02 0.00 0.00 33.50 31.67 2win n PRO 573 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2win s THR 575 N -3.46 0.31 0.36 0.00 -4.23 -1.24 -1.90 115.64 105.48 2win s THR 575 Ca 0.15 -1.89 0.06 0.00 -1.18 0.00 0.00 61.69 58.83 2win s THR 575 Cb -0.03 -1.84 0.19 0.00 1.34 0.00 0.00 72.50 72.16 2win s THR 575 CO 0.77 -0.69 1.93 -0.33 -0.54 0.00 0.00 174.62 175.76 2win h GLU 576 N 2.94 0.48 0.07 3.99 5.08 -1.15 -2.66 114.58 123.34 2win h GLU 576 Ca -0.35 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 57.92 2win h GLU 576 Cb 1.18 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.35 2win h GLU 576 CO 0.63 0.47 -0.03 0.78 -1.00 0.00 0.00 179.01 179.85 2win h GLY 577 N 0.74 -0.10 1.63 -3.84 0.00 -1.85 -2.57 103.07 97.08 2win h GLY 577 Ca 0.11 0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.45 2win h GLY 577 CO 0.00 -0.04 0.08 -0.84 0.00 0.00 0.00 176.54 175.75 2win h THR 578 N -0.09 1.16 0.74 4.70 2.02 -1.76 0.11 112.91 119.79 2win h THR 578 Ca -0.01 -0.55 -0.03 0.00 0.77 0.00 0.00 66.41 66.59 2win h THR 578 Cb 0.07 0.82 -0.00 0.00 -1.74 0.00 0.00 68.15 67.30 2win h THR 578 CO 0.02 0.20 -0.42 0.74 0.37 0.00 0.00 175.52 176.42 2win h THR 579 N 0.47 0.15 0.00 3.16 2.02 -1.14 -0.25 112.91 117.31 2win h THR 579 Ca 0.11 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.25 2win h THR 579 Cb 0.18 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.73 2win h THR 579 CO -0.00 0.00 -0.19 0.03 0.37 0.00 0.00 175.52 175.73 2win h ARG 580 N -1.08 0.00 -0.42 6.66 3.08 -1.36 -1.44 114.38 119.82 2win h ARG 580 Ca -0.10 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.87 2win h ARG 580 Cb 0.86 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.89 2win h ARG 580 CO 0.12 0.19 -0.04 0.00 -1.07 0.00 0.00 179.97 179.16 2win h ALA 581 N 1.81 0.57 -0.01 0.04 0.00 -0.51 -2.26 119.26 118.90 2win h ALA 581 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2win h ALA 581 Cb 0.72 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2win h ALA 581 CO 0.02 0.40 0.00 1.28 0.00 0.00 0.00 179.25 180.95 2win n LEU 582 N -4.37 0.52 -3.31 0.00 4.77 -0.13 -4.83 117.00 109.65 2win n LEU 582 Ca -0.01 -0.18 -0.17 0.00 -0.03 0.00 0.00 56.01 55.62 2win n LEU 582 Cb 0.33 -0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.48 2win n LEU 582 CO 0.42 0.09 0.02 0.54 -1.33 0.00 0.00 177.39 177.13 2win n ARG 583 N -0.57 -2.46 -4.37 3.23 1.74 -0.85 -5.03 116.66 108.35 2win n ARG 583 Ca 0.21 0.82 -0.25 0.00 -0.77 0.00 0.00 57.85 57.86 2win n ARG 583 Cb 0.19 -5.66 -0.12 0.00 -1.02 0.00 0.00 32.46 25.85 2win n ARG 583 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2win s LEU 584 N -5.58 2.39 0.67 0.55 1.43 -0.60 -5.02 118.68 112.53 2win s LEU 584 Ca 0.43 -0.81 -0.17 0.00 -1.03 0.00 0.00 54.13 52.55 2win s LEU 584 Cb -0.07 -1.03 -0.04 0.00 0.03 0.00 0.00 46.19 45.08 2win s LEU 584 CO 0.75 0.08 0.70 -0.81 0.23 0.00 0.00 176.35 177.30 2win n PRO 585 N 0.54 0.49 0.10 1.29 -0.04 -1.26 -4.54 135.00 131.58 2win n PRO 585 Ca -0.15 0.21 0.06 0.00 -0.04 0.00 0.00 63.50 63.58 2win n PRO 585 Cb 0.55 -1.95 0.34 0.00 -0.04 0.00 0.00 33.50 32.40 2win n PRO 585 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2win n PRO 586 N -0.90 0.08 -0.11 0.54 -0.04 -1.26 -1.29 135.00 132.02 2win n PRO 586 Ca 0.12 0.57 0.09 0.00 -0.04 0.00 0.00 63.50 64.23 2win n PRO 586 Cb 0.49 -1.79 0.30 0.00 -0.04 0.00 0.00 33.50 32.46 2win n PRO 586 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2win n THR 587 N -1.93 0.28 -1.66 0.52 -2.24 -1.26 -4.91 114.28 103.08 2win n THR 587 Ca -0.01 -0.36 -0.42 0.00 -2.27 0.00 0.00 64.05 60.99 2win n THR 587 Cb 0.05 0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 68.53 2win n THR 587 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2win n THR 588 N 0.32 0.78 -2.36 4.28 -1.04 -0.41 -4.98 114.28 110.86 2win n THR 588 Ca 0.14 -0.14 -0.25 0.00 -2.04 0.00 0.00 64.05 61.76 2win n THR 588 Cb 0.30 -2.32 0.05 0.00 -1.82 0.00 0.00 70.33 66.54 2win n THR 588 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 2win s THR 589 N 4.48 2.78 0.42 12.58 -4.23 -1.26 -4.98 115.64 125.43 2win s THR 589 Ca 0.89 -0.28 0.15 0.00 -1.18 0.00 0.00 61.69 61.27 2win s THR 589 Cb -0.43 -3.14 0.17 0.00 1.34 0.00 0.00 72.50 70.43 2win s THR 589 CO 0.42 -0.14 1.95 0.00 -0.54 0.00 0.00 174.62 176.32 2win h GLN 591 N 0.00 0.63 -0.17 0.00 5.75 -1.94 -3.09 115.11 116.29 2win h GLN 591 Ca -0.00 -0.56 -0.02 0.00 -0.15 0.00 0.00 58.65 57.91 2win h GLN 591 Cb 0.41 0.13 -0.01 0.00 1.07 0.00 0.00 27.48 29.08 2win h GLN 591 CO 0.03 1.18 0.00 1.96 -2.65 0.00 0.00 178.83 179.35 2win h GLN 592 N 0.41 0.24 -0.18 1.69 4.20 -1.88 -2.32 115.11 117.27 2win h GLN 592 Ca -0.06 -0.03 -0.21 0.00 0.06 0.00 0.00 58.65 58.41 2win h GLN 592 Cb 1.45 -0.05 0.01 0.00 0.30 0.00 0.00 27.48 29.19 2win h GLN 592 CO 0.16 0.27 -0.71 1.96 -0.67 0.00 0.00 178.83 179.84 2win h GLN 593 N 0.24 0.76 0.00 1.46 4.20 -1.53 -2.60 115.11 117.64 2win h GLN 593 Ca 0.06 -0.58 -0.04 0.00 0.06 0.00 0.00 58.65 58.16 2win h GLN 593 Cb 0.17 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 2win h GLN 593 CO 0.00 1.19 -0.17 -0.22 -0.67 0.00 0.00 178.83 178.96 2win h LYS 594 N 0.54 0.00 0.14 1.46 3.64 -1.35 0.66 116.57 121.65 2win h LYS 594 Ca -0.03 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.07 2win h LYS 594 Cb 1.32 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 33.17 2win h LYS 594 CO 0.14 0.17 -1.17 1.49 -2.27 0.00 0.00 179.45 177.82 2win h GLU 595 N 0.00 0.55 -0.19 1.90 4.81 -1.36 -0.73 114.58 119.56 2win h GLU 595 Ca -0.00 -0.77 -0.19 0.00 -0.13 0.00 0.00 59.36 58.26 2win h GLU 595 Cb 0.38 0.26 0.01 0.00 0.63 0.00 0.00 28.75 30.03 2win h GLU 595 CO 0.02 1.35 -0.64 1.49 -0.73 0.00 0.00 179.01 180.50 2win h GLU 596 N 0.13 0.76 0.12 1.92 4.57 -1.15 -2.89 114.58 118.04 2win h GLU 596 Ca -0.19 -0.57 -0.17 0.00 -1.18 0.00 0.00 59.36 57.25 2win h GLU 596 Cb 1.87 0.10 0.01 0.00 -0.16 0.00 0.00 28.75 30.58 2win h GLU 596 CO 0.22 1.19 -0.78 -0.07 -1.18 0.00 0.00 179.01 178.39 2win h LEU 597 N 0.49 0.38 -6.06 1.64 3.38 -0.99 -3.40 115.31 110.75 2win h LEU 597 Ca -0.03 -0.94 -0.59 0.00 0.09 0.00 0.00 57.88 56.41 2win h LEU 597 Cb 1.26 -0.13 -0.41 0.00 0.09 0.00 0.00 40.66 41.47 2win h LEU 597 CO 0.14 1.37 -0.71 0.18 0.09 0.00 0.00 178.44 179.50 2win n LEU 598 N -4.18 3.09 -4.75 1.67 4.77 -0.28 -5.01 117.00 112.31 2win n LEU 598 Ca -0.15 -5.32 -0.31 0.00 -0.03 0.00 0.00 56.01 50.20 2win n LEU 598 Cb 0.78 -0.37 0.10 0.00 -2.33 0.00 0.00 43.42 41.60 2win n LEU 598 CO 0.45 2.10 0.71 -2.16 -1.33 0.00 0.00 177.39 177.16 2win s PRO 599 N -2.34 2.11 -1.17 3.23 0.04 -1.09 -4.58 135.00 131.19 2win s PRO 599 Ca 0.40 1.30 -0.21 0.00 0.04 0.00 0.00 61.00 62.53 2win s PRO 599 Cb 0.17 -1.87 0.01 0.00 0.04 0.00 0.00 34.50 32.85 2win s PRO 599 CO -0.04 -1.77 1.77 0.00 0.04 0.00 0.00 177.00 176.99 2win s ALA 600 N -2.73 2.59 0.00 8.56 0.00 -1.26 -4.71 121.76 124.21 2win s ALA 600 Ca 0.64 -2.43 0.00 0.00 0.00 0.00 0.00 51.96 50.17 2win s ALA 600 Cb -0.19 -4.63 0.00 0.00 0.00 0.00 0.00 23.12 18.30 2win s ALA 600 CO 0.54 -4.08 0.00 0.00 0.00 0.00 0.00 175.76 172.22 2win n GLN 601 N 8.50 0.00 -3.06 0.00 10.64 -1.25 -4.51 117.38 127.71 2win n GLN 601 Ca 0.44 0.00 -0.44 0.00 -1.83 0.00 0.00 57.00 55.17 2win n GLN 601 Cb 0.47 0.00 -0.05 0.00 -0.86 0.00 0.00 30.24 29.80 2win n GLN 601 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2win s ASP 602 N 2.00 6.24 -0.05 2.61 1.01 -1.26 -1.73 116.67 125.50 2win s ASP 602 Ca 0.00 -0.83 -0.17 0.00 0.71 0.00 0.00 52.55 52.26 2win s ASP 602 Cb 0.00 -2.33 -0.05 0.00 1.01 0.00 0.00 42.92 41.54 2win s ASP 602 CO 0.00 -1.03 0.45 -0.63 0.21 0.00 0.00 175.17 174.17 2win s ILE 603 N 3.04 5.08 -0.42 0.77 1.01 -0.86 -4.85 121.20 124.97 2win s ILE 603 Ca 0.19 0.91 -0.29 0.00 0.00 0.00 0.00 60.65 61.46 2win s ILE 603 Cb -0.18 -3.77 0.01 0.00 0.01 0.00 0.00 42.46 38.53 2win s ILE 603 CO 0.13 0.46 1.36 -0.54 0.00 0.00 0.00 174.94 176.36 2win s LYS 604 N -0.30 3.60 0.18 2.79 1.02 -1.26 -0.68 119.74 125.08 2win s LYS 604 Ca 0.25 0.88 0.01 0.00 0.02 0.00 0.00 55.97 57.12 2win s LYS 604 Cb -0.16 -4.00 -0.00 0.00 -0.52 0.00 0.00 37.83 33.14 2win s LYS 604 CO 0.12 -1.53 0.04 0.00 -0.92 0.00 0.00 175.35 173.06 2win n ALA 605 N 8.64 0.21 -3.51 5.17 0.00 0.05 -4.29 120.51 126.78 2win n ALA 605 Ca 0.16 -0.86 -0.11 0.00 0.00 0.00 0.00 53.44 52.63 2win n ALA 605 Cb 0.48 0.53 -0.03 0.00 0.00 0.00 0.00 19.45 20.43 2win n ALA 605 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2win s LEU 606 N 0.00 -0.46 -0.01 0.00 0.05 -0.20 -1.25 118.68 116.82 2win s LEU 606 Ca 0.05 0.22 -0.00 0.00 0.05 0.00 0.00 54.13 54.45 2win s LEU 606 Cb 0.00 2.19 0.02 0.00 -2.05 0.00 0.00 46.19 46.35 2win s LEU 606 CO 0.04 -0.62 0.02 0.72 -0.55 0.00 0.00 176.35 175.95 2win s PHE 607 N -2.45 0.02 0.06 3.48 -0.12 -0.38 -1.22 117.98 117.35 2win s PHE 607 Ca -0.00 0.07 -0.30 0.00 -0.05 0.00 0.00 56.93 56.65 2win s PHE 607 Cb -0.01 -0.13 -0.05 0.00 -0.63 0.00 0.00 43.02 42.21 2win s PHE 607 CO -0.04 -0.05 1.00 0.08 -0.05 0.00 0.00 175.22 176.16 2win s VAL 608 N 0.57 4.59 0.03 -2.49 1.01 -1.26 -2.52 120.40 120.32 2win s VAL 608 Ca -0.05 1.98 0.01 0.00 0.00 0.00 0.00 61.98 63.92 2win s VAL 608 Cb -0.07 -4.26 -0.02 0.00 0.00 0.00 0.00 36.38 32.03 2win s VAL 608 CO -0.02 0.22 -0.06 -0.55 0.00 0.00 0.00 175.10 174.69 2win s SER 609 N 0.58 0.62 -0.23 3.32 0.15 -0.88 -4.88 113.70 112.36 2win s SER 609 Ca 0.51 -0.51 -0.09 0.00 0.70 0.00 0.00 55.95 56.55 2win s SER 609 Cb -0.23 0.05 -0.04 0.00 -1.71 0.00 0.00 66.02 64.09 2win s SER 609 CO 0.29 -0.23 0.13 -1.61 1.20 0.00 0.00 173.24 173.02 2win s GLU 610 N -1.47 3.98 -0.28 5.44 2.02 -1.26 -0.65 118.70 126.49 2win s GLU 610 Ca -0.12 -0.32 0.02 0.00 0.02 0.00 0.00 54.97 54.58 2win s GLU 610 Cb -0.10 -3.44 0.07 0.00 0.10 0.00 0.00 34.13 30.76 2win s GLU 610 CO -0.00 0.05 -0.04 -1.21 0.02 0.00 0.00 175.26 174.08 2win s GLU 611 N 1.04 1.77 -1.19 1.61 2.02 0.31 -4.71 118.70 119.54 2win s GLU 611 Ca 0.06 -1.36 -0.02 0.00 0.02 0.00 0.00 54.97 53.67 2win s GLU 611 Cb -0.14 -2.83 0.00 0.00 0.10 0.00 0.00 34.13 31.27 2win s GLU 611 CO 0.04 -0.70 1.00 0.39 0.02 0.00 0.00 175.26 176.01 2win n GLU 612 N 4.48 -6.68 -1.37 1.61 1.02 -1.26 -2.47 120.64 115.96 2win n GLU 612 Ca -0.08 0.82 -0.12 0.00 -0.02 0.00 0.00 57.16 57.76 2win n GLU 612 Cb 0.43 -5.77 -0.05 0.00 -0.02 0.00 0.00 31.44 26.03 2win n GLU 612 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2win n LYS 613 N -4.20 -0.80 -4.20 3.49 5.02 -1.26 -5.00 118.16 111.21 2win n LYS 613 Ca -0.23 0.89 -0.33 0.00 -2.02 0.00 0.00 58.31 56.62 2win n LYS 613 Cb 0.64 -4.89 -0.16 0.00 -0.02 0.00 0.00 35.03 30.61 2win n LYS 613 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2win s LYS 614 N -3.04 3.06 -0.93 1.97 1.02 -1.03 -5.06 119.74 115.73 2win s LYS 614 Ca 0.00 -0.80 -0.24 0.00 0.02 0.00 0.00 55.97 54.95 2win s LYS 614 Cb 0.00 -2.61 0.00 0.00 -0.52 0.00 0.00 37.83 34.70 2win s LYS 614 CO 0.00 -0.16 1.69 -0.51 -0.92 0.00 0.00 175.35 175.44 2win s LEU 615 N 1.21 3.32 0.04 3.17 1.43 -1.26 -0.53 118.68 126.06 2win s LEU 615 Ca 0.03 -0.93 -0.02 0.00 -1.03 0.00 0.00 54.13 52.18 2win s LEU 615 Cb -0.14 -2.56 -0.04 0.00 0.03 0.00 0.00 46.19 43.48 2win s LEU 615 CO -0.09 -2.13 0.21 0.28 0.23 0.00 0.00 176.35 174.85 2win s THR 616 N 7.54 5.39 -0.00 5.49 -1.32 0.18 -4.93 115.64 127.99 2win s THR 616 Ca 0.57 -0.26 -0.20 0.00 -1.21 0.00 0.00 61.69 60.59 2win s THR 616 Cb -0.04 -3.59 -0.05 0.00 -1.51 0.00 0.00 72.50 67.30 2win s THR 616 CO -0.02 0.21 0.59 -0.13 -2.21 0.00 0.00 174.62 173.06 2win s ARG 617 N -2.27 4.30 -0.27 7.08 0.52 -1.26 -2.08 118.95 124.97 2win s ARG 617 Ca 0.32 0.73 0.03 0.00 -0.52 0.00 0.00 55.73 56.29 2win s ARG 617 Cb -0.13 -3.34 0.06 0.00 0.52 0.00 0.00 34.95 32.07 2win s ARG 617 CO 0.24 0.38 -0.08 0.15 0.02 0.00 0.00 175.30 176.01 2win s LYS 618 N -0.24 2.08 -0.08 3.54 -0.14 -1.05 -4.99 119.74 118.85 2win s LYS 618 Ca 0.31 -1.36 -0.28 0.00 -1.36 0.00 0.00 55.97 53.28 2win s LYS 618 Cb -0.18 -2.88 -0.02 0.00 -1.68 0.00 0.00 37.83 33.06 2win s LYS 618 CO 0.17 -0.62 0.90 -2.00 -0.76 0.00 0.00 175.35 173.05 2win s GLU 619 N 1.12 4.43 0.39 1.68 2.12 -1.26 -1.26 118.70 125.93 2win s GLU 619 Ca -0.06 1.22 0.04 0.00 0.36 0.00 0.00 54.97 56.52 2win s GLU 619 Cb -0.20 -3.51 -0.03 0.00 0.26 0.00 0.00 34.13 30.66 2win s GLU 619 CO -0.06 -0.17 0.14 0.14 -0.54 0.00 0.00 175.26 174.77 2win s VAL 620 N 1.54 0.53 -0.03 3.70 -7.23 -0.38 -4.36 120.40 114.18 2win s VAL 620 Ca 0.45 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.68 2win s VAL 620 Cb -0.19 -2.38 -0.01 0.00 0.56 0.00 0.00 36.38 34.36 2win s VAL 620 CO 0.19 0.00 -0.21 -0.31 -0.31 0.00 0.00 175.10 174.47 2win s TYR 621 N -3.26 1.94 -0.24 2.82 1.51 -1.26 -0.77 117.35 118.09 2win s TYR 621 Ca 0.26 -0.44 -0.16 0.00 -1.01 0.00 0.00 57.07 55.72 2win s TYR 621 Cb 0.03 -1.26 -0.04 0.00 -0.11 0.00 0.00 41.96 40.58 2win s TYR 621 CO 0.16 -0.09 0.42 0.42 -1.11 0.00 0.00 175.55 175.35 2win s ILE 622 N -0.33 5.16 -1.34 2.71 1.01 0.14 -4.15 121.20 124.40 2win s ILE 622 Ca 0.04 0.69 -0.16 0.00 0.00 0.00 0.00 60.65 61.22 2win s ILE 622 Cb -0.10 -3.74 0.08 0.00 0.01 0.00 0.00 42.46 38.71 2win s ILE 622 CO 0.00 0.17 1.87 0.29 0.00 0.00 0.00 174.94 177.27 2win n LYS 623 N 5.09 3.13 0.00 2.79 4.76 0.50 -2.03 118.16 132.40 2win n LYS 623 Ca -0.07 -3.14 0.11 0.00 -2.87 0.00 0.00 58.31 52.33 2win n LYS 623 Cb 0.51 -3.36 -0.03 0.00 -1.84 0.00 0.00 35.03 30.31 2win n LYS 623 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2win n ASN 624 N 7.21 1.81 -0.79 4.39 5.15 -0.70 -3.90 115.26 128.43 2win n ASN 624 Ca 0.48 -1.41 0.00 0.00 -0.60 0.00 0.00 54.58 53.06 2win n ASN 624 Cb 0.43 0.57 0.00 0.00 -0.53 0.00 0.00 39.78 40.25 2win n ASN 624 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2win n GLY 625 N 1.41 1.22 0.16 8.20 0.00 -0.76 -3.78 105.19 111.64 2win n GLY 625 Ca 0.08 -1.53 0.02 0.00 0.00 0.00 0.00 46.02 44.59 2win n GLY 625 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2win h ASP 626 N 0.00 0.00 0.00 1.61 3.04 -1.91 -2.73 116.42 116.44 2win h ASP 626 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2win h ASP 626 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 2win h ASP 626 CO 0.00 0.49 0.00 0.29 -2.04 0.00 0.00 179.24 177.98 2win n LYS 627 N -3.66 0.72 -0.37 4.15 5.02 -1.26 -3.39 118.16 119.37 2win n LYS 627 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2win n LYS 627 Cb 0.56 -1.41 0.15 0.00 -0.02 0.00 0.00 35.03 34.31 2win n LYS 627 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2win h LYS 628 N 0.00 1.22 -0.13 1.97 3.64 -1.60 -1.38 116.57 120.30 2win h LYS 628 Ca 0.00 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.23 2win h LYS 628 Cb 0.00 -0.28 -0.00 0.00 -0.41 0.00 0.00 32.23 31.54 2win h LYS 628 CO 0.00 0.81 -0.22 0.78 -2.27 0.00 0.00 179.45 178.55 2win h GLY 629 N 1.26 0.42 2.00 5.01 0.00 -1.81 -1.62 103.07 108.33 2win h GLY 629 Ca 0.39 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 2win h GLY 629 CO -0.12 0.43 -0.07 1.76 0.00 0.00 0.00 176.54 178.54 2win h SER 630 N -0.01 0.00 0.17 0.19 0.02 -1.71 -1.29 113.55 110.92 2win h SER 630 Ca 0.01 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.61 2win h SER 630 Cb 0.79 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.34 2win h SER 630 CO 0.05 0.07 -1.80 0.00 -1.14 0.00 0.00 176.83 174.00 2win h GLU 632 N 0.08 0.00 0.00 0.00 5.08 -1.04 -3.04 114.58 115.66 2win h GLU 632 Ca -0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 2win h GLU 632 Cb 2.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.32 2win h GLU 632 CO 0.15 0.47 0.00 0.54 -1.00 0.00 0.00 179.01 179.17 2win n ARG 633 N -3.39 0.18 -0.02 2.33 1.74 -0.51 -2.68 116.66 114.32 2win n ARG 633 Ca 0.01 0.10 0.07 0.00 -0.77 0.00 0.00 57.85 57.26 2win n ARG 633 Cb 0.63 -1.50 0.39 0.00 -1.02 0.00 0.00 32.46 30.96 2win n ARG 633 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2win n ASP 634 N -1.38 0.25 0.00 0.55 8.00 -1.15 -3.43 116.55 119.39 2win n ASP 634 Ca 0.08 -1.61 0.14 0.00 0.71 0.00 0.00 54.79 54.12 2win n ASP 634 Cb 0.21 -0.02 0.81 0.00 -0.02 0.00 0.00 41.12 42.10 2win n ASP 634 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2win n ALA 635 N -0.56 2.52 1.70 2.24 0.00 -1.09 -3.06 120.51 122.26 2win n ALA 635 Ca 0.11 -0.16 0.15 0.00 0.00 0.00 0.00 53.44 53.53 2win n ALA 635 Cb 0.09 -1.47 0.84 0.00 0.00 0.00 0.00 19.45 18.90 2win n ALA 635 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2win n GLN 636 N -1.13 0.75 -0.00 0.00 10.64 -1.22 -2.79 117.38 123.62 2win n GLN 636 Ca 0.18 0.01 0.09 0.00 -1.83 0.00 0.00 57.00 55.44 2win n GLN 636 Cb 0.16 -1.50 -0.11 0.00 -0.86 0.00 0.00 30.24 27.93 2win n GLN 636 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 2win n TYR 637 N -1.10 0.00 -1.96 2.61 4.02 -1.17 -4.39 117.16 115.15 2win n TYR 637 Ca 0.19 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.70 2win n TYR 637 Cb 0.15 -0.02 0.02 0.00 -0.02 0.00 0.00 39.34 39.47 2win n TYR 637 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2win s ALA 638 N -2.75 2.90 0.18 -0.72 0.00 -1.12 -4.93 121.76 115.31 2win s ALA 638 Ca 0.06 1.19 -0.32 0.00 0.00 0.00 0.00 51.96 52.89 2win s ALA 638 Cb 0.14 -3.50 -0.12 0.00 0.00 0.00 0.00 23.12 19.64 2win s ALA 638 CO 0.75 -1.09 1.71 -2.30 0.00 0.00 0.00 175.76 174.82 2win n PRO 639 N -0.78 2.60 -2.05 0.00 -0.02 -1.26 -1.47 135.00 132.02 2win n PRO 639 Ca 0.09 0.94 -0.12 0.00 -2.02 0.00 0.00 63.50 62.39 2win n PRO 639 Cb 0.46 -2.77 -0.02 0.00 -0.02 0.00 0.00 33.50 31.15 2win n PRO 639 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2win n GLY 640 N 3.87 0.16 0.44 -1.23 0.00 -1.26 -4.89 105.19 102.28 2win n GLY 640 Ca 0.17 -0.39 0.04 0.00 0.00 0.00 0.00 46.02 45.83 2win n GLY 640 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2win n TYR 641 N -3.73 0.00 -0.06 1.61 4.02 -0.54 -4.48 117.16 113.98 2win n TYR 641 Ca -0.14 -0.41 -0.04 0.00 -0.01 0.00 0.00 57.90 57.30 2win n TYR 641 Cb 0.57 -0.10 -0.03 0.00 -0.02 0.00 0.00 39.34 39.76 2win n TYR 641 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 2win h ASP 642 N 0.11 0.00 -0.20 7.72 3.32 -1.77 -3.39 116.42 122.21 2win h ASP 642 Ca -0.02 -0.25 -0.71 0.00 0.02 0.00 0.00 57.03 56.07 2win h ASP 642 Cb 1.29 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.79 2win h ASP 642 CO 0.01 0.65 3.04 0.29 -1.72 0.00 0.00 179.24 181.50 2win n LYS 643 N -4.73 3.05 -4.37 3.56 5.02 -1.26 -4.91 118.16 114.53 2win n LYS 643 Ca -0.03 -2.71 -0.33 0.00 -2.02 0.00 0.00 58.31 53.22 2win n LYS 643 Cb 0.14 -3.19 -0.15 0.00 -0.02 0.00 0.00 35.03 31.80 2win n LYS 643 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2win s VAL 644 N 2.67 2.62 0.12 -0.18 1.01 -1.26 -4.82 120.40 120.56 2win s VAL 644 Ca 0.48 -0.77 -0.31 0.00 0.00 0.00 0.00 61.98 61.38 2win s VAL 644 Cb 0.14 -2.12 -0.08 0.00 0.00 0.00 0.00 36.38 34.32 2win s VAL 644 CO -0.07 0.51 1.58 0.11 0.00 0.00 0.00 175.10 177.22 2win h LYS 645 N 7.54 -0.55 -4.32 2.72 1.57 -1.90 -3.44 116.57 118.19 2win h LYS 645 Ca -0.36 0.04 -0.27 0.00 -1.87 0.00 0.00 60.65 58.19 2win h LYS 645 Cb 1.18 0.13 -0.24 0.00 0.08 0.00 0.00 32.23 33.37 2win h LYS 645 CO 0.59 -0.37 -0.73 0.34 -0.57 0.00 0.00 179.45 178.71 2win s ASP 646 N -4.81 0.60 0.34 0.86 2.15 -1.26 -5.04 116.67 109.52 2win s ASP 646 Ca -0.16 -0.37 0.20 0.00 0.43 0.00 0.00 52.55 52.66 2win s ASP 646 Cb 0.08 0.02 0.19 0.00 -0.30 0.00 0.00 42.92 42.91 2win s ASP 646 CO 0.63 -0.13 1.44 -0.29 -0.17 0.00 0.00 175.17 176.65 2win h ILE 647 N 4.72 0.26 0.00 4.11 6.09 -1.98 -3.04 117.51 127.68 2win h ILE 647 Ca -0.32 -1.39 0.00 0.00 -1.37 0.00 0.00 64.86 61.78 2win h ILE 647 Cb 1.20 2.05 0.00 0.00 0.47 0.00 0.00 36.82 40.54 2win h ILE 647 CO 0.44 0.15 0.00 -0.24 -3.07 0.00 0.00 178.15 175.43 2win n SER 648 N -3.06 0.00 -0.05 2.19 2.88 -1.26 -1.24 113.62 113.07 2win n SER 648 Ca 0.02 -1.15 -0.13 0.00 -1.33 0.00 0.00 58.87 56.28 2win n SER 648 Cb 0.61 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.92 2win n SER 648 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2win n GLU 649 N -0.86 0.68 -0.09 -1.46 4.07 -1.15 -4.47 120.64 117.36 2win n GLU 649 Ca 0.16 0.18 -0.12 0.00 -0.06 0.00 0.00 57.16 57.32 2win n GLU 649 Cb 0.07 -1.66 -0.15 0.00 -0.06 0.00 0.00 31.44 29.64 2win n GLU 649 CO 0.00 0.00 0.00 1.33 -0.06 0.00 0.00 177.13 178.40 2win n VAL 650 N -3.08 1.45 -3.43 6.31 0.24 -1.15 -4.66 118.33 114.02 2win n VAL 650 Ca -0.28 -0.79 -0.43 0.00 -2.04 0.00 0.00 64.34 60.80 2win n VAL 650 Cb 1.07 -0.76 -0.02 0.00 -1.47 0.00 0.00 33.84 32.66 2win n VAL 650 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2win s VAL 651 N -2.51 5.49 0.62 3.34 1.01 -0.37 -4.78 120.40 123.19 2win s VAL 651 Ca -0.14 -3.44 -0.14 0.00 0.00 0.00 0.00 61.98 58.26 2win s VAL 651 Cb 0.07 -4.33 -0.03 0.00 0.00 0.00 0.00 36.38 32.09 2win s VAL 651 CO 0.79 -1.14 1.05 0.42 0.00 0.00 0.00 175.10 176.22 2win s THR 652 N -1.12 3.93 0.03 3.92 -4.23 -1.26 -4.60 115.64 112.30 2win s THR 652 Ca 0.28 0.82 0.11 0.00 -1.18 0.00 0.00 61.69 61.73 2win s THR 652 Cb -0.10 -3.41 0.11 0.00 1.34 0.00 0.00 72.50 70.44 2win s THR 652 CO -0.09 -0.63 1.22 -2.65 -0.54 0.00 0.00 174.62 171.93 2win n PRO 653 N -2.34 0.08 0.00 3.99 -0.02 -1.26 -1.05 135.00 134.41 2win n PRO 653 Ca 0.08 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 2win n PRO 653 Cb 0.53 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 2win n PRO 653 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2win n ARG 654 N -1.99 0.76 -4.75 -0.52 3.00 -1.26 -4.79 116.66 107.11 2win n ARG 654 Ca -0.01 0.00 -0.24 0.00 -0.01 0.00 0.00 57.85 57.59 2win n ARG 654 Cb 0.36 -1.22 -0.15 0.00 0.00 0.00 0.00 32.46 31.44 2win n ARG 654 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 2win s PHE 655 N -1.41 1.47 0.20 -1.55 0.40 -0.21 -1.86 117.98 115.02 2win s PHE 655 Ca 0.00 -0.32 0.06 0.00 -0.60 0.00 0.00 56.93 56.07 2win s PHE 655 Cb 0.00 -0.96 -0.04 0.00 0.51 0.00 0.00 43.02 42.53 2win s PHE 655 CO 0.00 -0.06 0.17 -0.51 0.70 0.00 0.00 175.22 175.52 2win s LEU 656 N -0.24 3.84 -0.05 -0.37 1.43 0.11 -4.84 118.68 118.56 2win s LEU 656 Ca 0.03 -0.17 0.04 0.00 -1.03 0.00 0.00 54.13 53.01 2win s LEU 656 Cb -0.08 -2.41 -0.00 0.00 0.03 0.00 0.00 46.19 43.73 2win s LEU 656 CO 0.00 0.02 -0.19 0.00 0.23 0.00 0.00 176.35 176.41 2win n THR 658 N 3.22 0.00 -0.57 0.00 -2.24 -0.02 -0.37 114.28 114.29 2win n THR 658 Ca -0.19 -0.55 0.01 0.00 -2.27 0.00 0.00 64.05 61.05 2win n THR 658 Cb 0.53 0.25 -0.00 0.00 -2.10 0.00 0.00 70.33 69.00 2win n THR 658 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2win n GLY 659 N 0.55 -2.22 0.00 3.38 0.00 -1.26 -1.69 105.19 103.95 2win n GLY 659 Ca 0.01 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.52 2win n GLY 659 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2win n GLY 660 N -1.05 -1.08 0.00 -0.02 0.00 -1.11 -4.72 105.19 97.20 2win n GLY 660 Ca 0.00 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 43.95 2win n GLY 660 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2win n VAL 661 N 0.00 0.57 -3.85 1.61 0.24 -1.26 -2.76 118.33 112.88 2win n VAL 661 Ca 0.00 -0.58 -0.13 0.00 -2.04 0.00 0.00 64.34 61.59 2win n VAL 661 Cb 0.00 0.73 -0.15 0.00 -1.47 0.00 0.00 33.84 32.95 2win n VAL 661 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2win s SER 662 N -0.57 0.04 0.00 -1.34 0.15 -1.26 -3.81 113.70 106.91 2win s SER 662 Ca 0.00 0.01 0.25 0.00 0.70 0.00 0.00 55.95 56.91 2win s SER 662 Cb 0.00 -0.02 1.14 0.00 -1.71 0.00 0.00 66.02 65.42 2win s SER 662 CO 0.00 -0.04 1.83 -0.81 1.20 0.00 0.00 173.24 175.42 2win n PRO 663 N 3.39 0.10 -4.12 5.44 -0.04 -1.26 -4.96 135.00 133.55 2win n PRO 663 Ca -0.17 0.06 -0.08 0.00 -0.04 0.00 0.00 63.50 63.27 2win n PRO 663 Cb 0.57 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.43 2win n PRO 663 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2win s TYR 664 N -2.89 0.64 -0.98 0.54 1.51 -1.25 -5.08 117.35 109.85 2win s TYR 664 Ca 0.15 -1.03 -0.24 0.00 -1.01 0.00 0.00 57.07 54.94 2win s TYR 664 Cb 0.17 -0.43 -0.03 0.00 -0.11 0.00 0.00 41.96 41.56 2win s TYR 664 CO 0.44 -0.32 1.83 0.00 -1.11 0.00 0.00 175.55 176.39 2win s ALA 665 N -3.84 1.97 0.18 3.71 0.00 -1.26 -4.03 121.76 118.50 2win s ALA 665 Ca 0.09 -1.81 -0.30 0.00 0.00 0.00 0.00 51.96 49.94 2win s ALA 665 Cb 0.07 -4.57 -0.08 0.00 0.00 0.00 0.00 23.12 18.55 2win s ALA 665 CO -0.08 -4.55 1.09 -0.51 0.00 0.00 0.00 175.76 171.71 2win s ASP 666 N 7.03 7.29 1.11 0.00 1.01 -1.11 -5.01 116.67 126.98 2win s ASP 666 Ca 0.64 2.08 -0.12 0.00 0.71 0.00 0.00 52.55 55.86 2win s ASP 666 Cb -0.04 -2.60 0.25 0.00 1.01 0.00 0.00 42.92 41.54 2win s ASP 666 CO -0.01 -0.19 1.06 -2.84 0.21 0.00 0.00 175.17 173.40 2win s PRO 667 N -0.44 -0.50 0.20 8.23 0.02 -1.26 -4.34 135.00 136.92 2win s PRO 667 Ca 0.49 1.02 0.11 0.00 0.02 0.00 0.00 61.00 62.64 2win s PRO 667 Cb -0.29 -1.59 -0.04 0.00 0.02 0.00 0.00 34.50 32.60 2win s PRO 667 CO 0.35 -3.50 -0.22 -0.80 -0.33 0.00 0.00 177.00 172.50 2win s ASN 668 N -2.53 3.32 0.01 2.53 0.02 -1.26 -4.59 114.94 112.43 2win s ASN 668 Ca 0.68 -0.90 -0.16 0.00 -1.02 0.00 0.00 52.86 51.46 2win s ASN 668 Cb -0.25 -0.24 -0.06 0.00 0.02 0.00 0.00 41.25 40.72 2win s ASN 668 CO 0.63 0.08 0.46 0.42 0.02 0.00 0.00 177.10 178.71 2win s THR 669 N -1.89 4.97 0.46 1.60 -4.23 -1.26 -4.97 115.64 110.31 2win s THR 669 Ca 0.21 0.95 0.08 0.00 -1.18 0.00 0.00 61.69 61.76 2win s THR 669 Cb -0.07 -3.77 0.03 0.00 1.34 0.00 0.00 72.50 70.03 2win s THR 669 CO 0.10 0.55 0.62 0.00 -0.54 0.00 0.00 174.62 175.35 2win h ARG 671 N 0.54 0.81 0.00 0.00 -0.00 -1.95 -0.66 114.38 113.12 2win h ARG 671 Ca -0.38 -0.05 -0.04 0.00 -0.50 0.00 0.00 59.98 59.01 2win h ARG 671 Cb 1.28 -0.18 -0.01 0.00 0.00 0.00 0.00 29.97 31.06 2win h ARG 671 CO 0.44 0.54 -0.19 0.78 0.00 0.00 0.00 179.97 181.53 2win h GLY 672 N 0.84 0.00 1.91 0.04 0.00 -1.96 -2.14 103.07 101.76 2win h GLY 672 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.78 2win h GLY 672 CO -0.28 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.48 2win n ASP 673 N -4.25 0.00 -4.63 0.19 8.00 -0.27 -3.94 116.55 111.65 2win n ASP 673 Ca -0.02 0.38 -0.48 0.00 0.71 0.00 0.00 54.79 55.38 2win n ASP 673 Cb 0.26 -0.46 -0.04 0.00 -0.02 0.00 0.00 41.12 40.86 2win n ASP 673 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2win n SER 674 N -1.46 2.36 0.00 -2.24 2.88 -0.81 -0.72 113.62 113.64 2win n SER 674 Ca 0.08 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.73 2win n SER 674 Cb 0.29 -1.33 0.00 0.00 -0.75 0.00 0.00 64.21 62.42 2win n SER 674 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2win n GLY 675 N 2.69 0.72 3.77 0.46 0.00 -1.06 -0.77 105.19 110.99 2win n GLY 675 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 2win n GLY 675 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2win s GLY 676 N -1.42 2.67 0.24 -0.02 0.00 0.11 -3.86 107.32 105.04 2win s GLY 676 Ca 0.00 0.88 -0.30 0.00 0.00 0.00 0.00 44.72 45.30 2win s GLY 676 CO 0.00 1.25 0.98 -4.14 0.00 0.00 0.00 173.10 171.19 2win s PRO 677 N -3.26 4.80 -0.50 2.90 0.02 -1.26 -0.87 135.00 136.83 2win s PRO 677 Ca 0.73 1.57 -0.16 0.00 0.02 0.00 0.00 61.00 63.16 2win s PRO 677 Cb -0.26 -3.26 0.08 0.00 0.02 0.00 0.00 34.50 31.08 2win s PRO 677 CO 0.29 0.43 0.47 -1.17 -0.33 0.00 0.00 177.00 176.69 2win s LEU 678 N -1.19 5.60 0.02 -5.54 2.96 0.10 -4.28 118.68 116.34 2win s LEU 678 Ca 0.42 -1.35 0.01 0.00 -0.22 0.00 0.00 54.13 53.00 2win s LEU 678 Cb -0.27 -2.24 -0.04 0.00 0.50 0.00 0.00 46.19 44.14 2win s LEU 678 CO 0.34 -0.76 0.05 -0.63 -1.32 0.00 0.00 176.35 174.03 2win s ILE 679 N 1.87 4.44 -0.39 6.68 1.01 -0.36 -0.38 121.20 134.07 2win s ILE 679 Ca 0.06 -0.57 -0.01 0.00 0.00 0.00 0.00 60.65 60.13 2win s ILE 679 Cb -0.24 -3.04 0.11 0.00 0.01 0.00 0.00 42.46 39.30 2win s ILE 679 CO 0.07 0.31 0.16 -0.69 0.00 0.00 0.00 174.94 174.79 2win s VAL 680 N -1.19 2.97 -0.37 2.92 1.01 -0.20 -1.03 120.40 124.51 2win s VAL 680 Ca 0.23 -2.18 -0.28 0.00 0.00 0.00 0.00 61.98 59.75 2win s VAL 680 Cb -0.12 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 2win s VAL 680 CO 0.14 -0.67 1.96 -2.28 0.00 0.00 0.00 175.10 174.25 2win s HIS 681 N 1.03 1.57 -0.03 5.22 2.46 -1.26 -3.70 115.29 120.58 2win s HIS 681 Ca 0.09 0.74 -0.01 0.00 0.47 0.00 0.00 55.06 56.35 2win s HIS 681 Cb -0.22 -4.02 0.03 0.00 -0.13 0.00 0.00 32.58 28.24 2win s HIS 681 CO -0.05 -3.03 0.07 0.15 -2.47 0.00 0.00 174.74 169.40 2win s LYS 682 N 6.30 0.02 -1.32 2.88 -0.14 -0.90 -4.89 119.74 121.68 2win s LYS 682 Ca 0.84 0.22 -0.07 0.00 -1.36 0.00 0.00 55.97 55.60 2win s LYS 682 Cb -0.22 -0.18 0.01 0.00 -1.68 0.00 0.00 37.83 35.76 2win s LYS 682 CO 0.31 -0.14 1.14 0.54 -0.76 0.00 0.00 175.35 176.44 2win n ARG 683 N 3.98 -7.64 -0.68 1.68 5.12 -1.26 -1.63 116.66 116.23 2win n ARG 683 Ca -0.25 0.83 0.00 0.00 -1.93 0.00 0.00 57.85 56.51 2win n ARG 683 Cb 0.52 -5.88 0.00 0.00 -1.16 0.00 0.00 32.46 25.94 2win n ARG 683 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 2win n SER 684 N -3.05 -1.01 -4.80 0.55 7.64 -1.26 -4.87 113.62 106.82 2win n SER 684 Ca -0.07 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.59 2win n SER 684 Cb 0.59 -2.15 -0.05 0.00 -1.01 0.00 0.00 64.21 61.59 2win n SER 684 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2win s ARG 685 N -0.94 2.44 -0.15 1.43 1.81 -0.65 -4.69 118.95 118.20 2win s ARG 685 Ca 0.00 -1.59 0.00 0.00 -1.72 0.00 0.00 55.73 52.42 2win s ARG 685 Cb 0.00 -2.24 0.03 0.00 -0.45 0.00 0.00 34.95 32.29 2win s ARG 685 CO 0.00 -0.07 -0.13 -0.06 -0.68 0.00 0.00 175.30 174.36 2win s PHE 686 N -2.48 2.16 -0.15 -0.53 0.40 -0.57 -2.12 117.98 114.69 2win s PHE 686 Ca 0.43 -1.24 0.00 0.00 -0.60 0.00 0.00 56.93 55.52 2win s PHE 686 Cb -0.01 -1.58 -0.00 0.00 0.51 0.00 0.00 43.02 41.94 2win s PHE 686 CO 0.25 -0.67 -0.16 0.42 0.70 0.00 0.00 175.22 175.76 2win s ILE 687 N 1.49 2.64 -0.04 0.64 -1.09 -1.24 -3.26 121.20 120.35 2win s ILE 687 Ca 0.04 -0.78 -0.27 0.00 -2.23 0.00 0.00 60.65 57.41 2win s ILE 687 Cb -0.13 -2.11 -0.03 0.00 -1.58 0.00 0.00 42.46 38.60 2win s ILE 687 CO -0.10 0.52 0.85 -1.58 -1.23 0.00 0.00 174.94 173.40 2win s GLN 688 N 0.80 4.49 0.00 2.79 0.74 -0.21 -1.04 119.66 127.23 2win s GLN 688 Ca -0.06 1.17 0.00 0.00 0.05 0.00 0.00 55.36 56.52 2win s GLN 688 Cb -0.15 -3.46 0.00 0.00 1.10 0.00 0.00 33.01 30.50 2win s GLN 688 CO 0.00 -0.01 0.59 1.33 -0.55 0.00 0.00 175.29 176.64 2win n VAL 689 N 3.89 0.33 -3.58 1.34 0.24 0.49 -4.01 118.33 117.03 2win n VAL 689 Ca 0.03 -0.40 -0.09 0.00 -2.04 0.00 0.00 64.34 61.84 2win n VAL 689 Cb 0.51 0.99 -0.02 0.00 -1.47 0.00 0.00 33.84 33.85 2win n VAL 689 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2win s GLY 690 N -0.33 -0.42 -0.13 7.63 0.00 -1.13 -2.83 107.32 110.11 2win s GLY 690 Ca 0.00 0.39 -0.02 0.00 0.00 0.00 0.00 44.72 45.09 2win s GLY 690 CO 0.00 0.13 0.02 0.14 0.00 0.00 0.00 173.10 173.39 2win s VAL 691 N -3.59 0.41 -0.36 1.40 1.01 -0.90 -0.72 120.40 117.66 2win s VAL 691 Ca 0.05 -0.17 -0.41 0.00 0.00 0.00 0.00 61.98 61.45 2win s VAL 691 Cb -0.02 -0.74 -0.16 0.00 0.00 0.00 0.00 36.38 35.46 2win s VAL 691 CO -0.06 0.04 1.83 -0.38 0.00 0.00 0.00 175.10 176.53 2win n ILE 692 N 5.12 0.20 -0.05 2.22 5.41 -0.05 -1.00 119.36 131.21 2win n ILE 692 Ca -0.08 -0.07 -0.09 0.00 1.00 0.00 0.00 62.75 63.52 2win n ILE 692 Cb 0.49 -1.06 -0.03 0.00 -0.71 0.00 0.00 39.64 38.33 2win n ILE 692 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 2win n SER 693 N 6.01 1.45 -3.55 4.38 2.88 -0.62 -2.57 113.62 121.59 2win n SER 693 Ca 0.33 0.23 -0.05 0.00 -1.33 0.00 0.00 58.87 58.05 2win n SER 693 Cb 0.09 -0.54 -0.00 0.00 -0.75 0.00 0.00 64.21 63.00 2win n SER 693 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 2win s TRP 694 N -2.45 -0.06 0.24 0.66 1.48 -1.06 -4.92 118.94 112.82 2win s TRP 694 Ca -0.19 -0.37 0.01 0.00 -1.06 0.00 0.00 56.10 54.49 2win s TRP 694 Cb 0.04 0.71 -0.04 0.00 -1.16 0.00 0.00 33.47 33.02 2win s TRP 694 CO 0.26 -1.09 0.15 0.20 -4.06 0.00 0.00 176.95 172.41 2win s GLY 695 N -3.05 1.68 -0.19 3.67 0.00 -1.26 -0.91 107.32 107.26 2win s GLY 695 Ca 0.14 -1.78 -0.22 0.00 0.00 0.00 0.00 44.72 42.86 2win s GLY 695 CO 0.06 -1.46 0.32 -2.08 0.00 0.00 0.00 173.10 169.93 2win h VAL 696 N 2.47 1.03 -4.15 1.40 2.07 -1.62 -3.47 116.25 113.99 2win h VAL 696 Ca -0.35 -2.22 -0.65 0.00 0.82 0.00 0.00 66.70 64.30 2win h VAL 696 Cb 1.25 2.43 -0.31 0.00 -1.52 0.00 0.00 31.29 33.13 2win h VAL 696 CO 0.52 0.40 -0.87 -0.69 0.02 0.00 0.00 177.57 176.94 2win s VAL 697 N -2.36 1.87 -1.35 2.57 1.01 -1.26 -4.30 120.40 116.57 2win s VAL 697 Ca -0.27 -0.98 -0.09 0.00 0.00 0.00 0.00 61.98 60.64 2win s VAL 697 Cb 0.05 -1.58 0.11 0.00 0.00 0.00 0.00 36.38 34.96 2win s VAL 697 CO 0.62 0.52 2.15 -0.67 0.00 0.00 0.00 175.10 177.73 2win n ASP 698 N 2.85 5.83 0.24 3.32 4.64 -1.26 -4.69 116.55 127.48 2win n ASP 698 Ca -0.17 -3.02 0.18 0.00 -1.38 0.00 0.00 54.79 50.40 2win n ASP 698 Cb 0.52 -1.49 0.88 0.00 -1.04 0.00 0.00 41.12 39.99 2win n ASP 698 CO 0.00 0.00 0.00 -0.37 -0.82 0.00 0.00 177.20 176.01 2win h VAL 699 N 3.48 0.34 -0.45 5.18 -1.51 -1.94 -2.43 116.25 118.91 2win h VAL 699 Ca 0.54 0.00 -0.66 0.00 -1.23 0.00 0.00 66.70 65.35 2win h VAL 699 Cb 0.53 0.83 -0.04 0.00 -2.13 0.00 0.00 31.29 30.48 2win h VAL 699 CO 1.66 0.00 2.97 0.00 -1.23 0.00 0.00 177.57 180.97 2win n LYS 701 N 2.75 0.00 -3.36 0.00 4.81 -0.92 -4.46 118.16 116.98 2win n LYS 701 Ca 0.70 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 58.02 2win n LYS 701 Cb 0.29 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.26 2win n LYS 701 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 2win s ASN 702 N 0.00 0.70 -0.69 3.14 0.02 -1.26 -4.86 114.94 111.98 2win s ASN 702 Ca 0.00 -0.22 0.00 0.00 -1.02 0.00 0.00 52.86 51.62 2win s ASN 702 Cb 0.00 0.92 0.00 0.00 0.02 0.00 0.00 41.25 42.19 2win s ASN 702 CO 0.00 -0.34 0.00 0.00 0.02 0.00 0.00 177.10 176.78 2win n GLN 703 N 5.35 -0.96 -4.01 -0.60 -0.00 -1.26 -4.98 117.38 110.91 2win n GLN 703 Ca -0.02 0.63 -0.10 0.00 -0.00 0.00 0.00 57.00 57.52 2win n GLN 703 Cb 0.49 -4.57 -0.08 0.00 -0.00 0.00 0.00 30.24 26.09 2win n GLN 703 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 2win s LYS 704 N -2.16 1.13 -0.30 2.61 1.02 -1.26 -5.05 119.74 115.72 2win s LYS 704 Ca 0.00 -1.25 -0.07 0.00 0.02 0.00 0.00 55.97 54.67 2win s LYS 704 Cb 0.00 0.35 0.18 0.00 -0.52 0.00 0.00 37.83 37.84 2win s LYS 704 CO 0.00 -0.40 0.80 -0.98 -0.92 0.00 0.00 175.35 173.85 2win s ARG 705 N -4.00 0.41 0.00 1.68 1.70 -1.26 -2.49 118.95 114.99 2win s ARG 705 Ca 0.20 0.76 0.00 0.00 -0.47 0.00 0.00 55.73 56.22 2win s ARG 705 Cb 0.04 0.43 0.00 0.00 -0.57 0.00 0.00 34.95 34.85 2win s ARG 705 CO 0.01 -0.40 0.00 0.94 -1.08 0.00 0.00 175.30 174.77 2win n GLN 706 N 5.41 0.00 0.00 3.89 7.27 -1.24 -4.97 117.38 127.75 2win n GLN 706 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.02 2win n GLN 706 Cb 0.52 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.17 2win n GLN 706 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 2win n LYS 707 N 0.00 0.00 -3.81 3.69 5.02 -1.26 -4.38 118.16 117.43 2win n LYS 707 Ca 0.00 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.99 2win n LYS 707 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 34.87 2win n LYS 707 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2win s GLN 708 N 0.00 1.41 -0.12 1.97 -0.21 -1.26 -5.10 119.66 116.35 2win s GLN 708 Ca 0.00 -2.03 -0.19 0.00 0.02 0.00 0.00 55.36 53.16 2win s GLN 708 Cb 0.00 -2.63 -0.04 0.00 1.00 0.00 0.00 33.01 31.34 2win s GLN 708 CO 0.00 -1.10 0.52 0.14 -2.12 0.00 0.00 175.29 172.73 2win s VAL 709 N 0.40 5.16 0.72 1.09 -7.23 -1.26 -5.06 120.40 114.22 2win s VAL 709 Ca 0.16 1.04 -0.15 0.00 -1.81 0.00 0.00 61.98 61.22 2win s VAL 709 Cb -0.23 -3.86 0.03 0.00 0.56 0.00 0.00 36.38 32.88 2win s VAL 709 CO -0.04 0.30 1.17 -2.84 -0.31 0.00 0.00 175.10 173.38 2win s PRO 710 N 0.75 2.29 0.47 4.82 0.02 -1.26 -4.93 135.00 137.15 2win s PRO 710 Ca 0.28 1.62 0.26 0.00 0.02 0.00 0.00 61.00 63.18 2win s PRO 710 Cb -0.16 -1.87 0.75 0.00 0.02 0.00 0.00 34.50 33.25 2win s PRO 710 CO 0.11 -1.69 1.76 0.00 -0.33 0.00 0.00 177.00 176.85 2win h ALA 711 N -0.29 0.97 -0.47 -1.55 0.00 -1.97 -2.90 119.26 113.05 2win h ALA 711 Ca -0.47 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2win h ALA 711 Cb 1.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2win h ALA 711 CO 0.51 0.09 0.00 -2.39 0.00 0.00 0.00 179.25 177.46 2win n HIS 712 N -3.15 0.62 -2.17 0.00 -0.00 -1.26 -4.44 115.22 104.82 2win n HIS 712 Ca 0.02 -0.31 -0.30 0.00 -0.00 0.00 0.00 57.72 57.13 2win n HIS 712 Cb 0.46 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.40 2win n HIS 712 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2win s ALA 713 N -1.38 1.95 0.11 1.59 0.00 -1.10 -4.74 121.76 118.19 2win s ALA 713 Ca 0.31 -1.81 0.04 0.00 0.00 0.00 0.00 51.96 50.50 2win s ALA 713 Cb 0.16 -4.58 -0.04 0.00 0.00 0.00 0.00 23.12 18.67 2win s ALA 713 CO 0.21 -4.60 0.05 1.03 0.00 0.00 0.00 175.76 172.46 2win s ARG 714 N 6.42 2.71 -0.08 0.00 1.81 -1.26 -2.74 118.95 125.82 2win s ARG 714 Ca 0.65 -0.81 0.04 0.00 -1.72 0.00 0.00 55.73 53.88 2win s ARG 714 Cb -0.04 -2.61 -0.01 0.00 -0.45 0.00 0.00 34.95 31.84 2win s ARG 714 CO 0.00 0.53 -0.20 -0.51 -0.68 0.00 0.00 175.30 174.45 2win s ASP 715 N -2.53 3.49 -0.09 0.23 1.01 -0.68 -1.62 116.67 116.48 2win s ASP 715 Ca 0.28 -0.41 0.02 0.00 0.71 0.00 0.00 52.55 53.15 2win s ASP 715 Cb -0.11 -1.06 -0.02 0.00 1.01 0.00 0.00 42.92 42.73 2win s ASP 715 CO 0.21 0.24 -0.13 -0.36 0.21 0.00 0.00 175.17 175.34 2win s PHE 716 N -0.13 2.77 0.04 4.23 0.40 -0.09 -0.84 117.98 124.37 2win s PHE 716 Ca -0.03 -0.38 0.05 0.00 -0.60 0.00 0.00 56.93 55.97 2win s PHE 716 Cb -0.14 -1.74 -0.02 0.00 0.51 0.00 0.00 43.02 41.63 2win s PHE 716 CO 0.04 0.01 -0.15 -1.01 0.70 0.00 0.00 175.22 174.81 2win s HIS 717 N -0.21 1.30 -0.38 0.36 3.76 -0.74 -1.58 115.29 117.78 2win s HIS 717 Ca 0.01 -0.37 -0.29 0.00 -0.15 0.00 0.00 55.06 54.26 2win s HIS 717 Cb -0.13 -0.76 0.01 0.00 1.11 0.00 0.00 32.58 32.81 2win s HIS 717 CO 0.03 0.05 1.28 0.42 -0.85 0.00 0.00 174.74 175.67 2win s ILE 718 N -0.90 4.11 0.08 0.60 -1.09 -0.17 0.04 121.20 123.87 2win s ILE 718 Ca 0.02 1.19 -0.31 0.00 -2.23 0.00 0.00 60.65 59.32 2win s ILE 718 Cb -0.08 -4.31 -0.09 0.00 -1.58 0.00 0.00 42.46 36.40 2win s ILE 718 CO 0.01 -0.70 1.77 0.21 -1.23 0.00 0.00 174.94 175.00 2win s ASN 719 N 2.99 6.51 0.22 3.58 3.84 -0.78 -2.11 114.94 129.19 2win s ASN 719 Ca 0.55 2.62 0.22 0.00 0.21 0.00 0.00 52.86 56.46 2win s ASN 719 Cb -0.13 -2.56 0.92 0.00 -0.55 0.00 0.00 41.25 38.94 2win s ASN 719 CO 0.28 -0.96 1.68 0.18 -2.79 0.00 0.00 177.10 175.48 2win n LEU 720 N 5.97 0.57 0.19 3.21 4.77 -1.13 -1.86 117.00 128.72 2win n LEU 720 Ca 0.17 0.64 0.09 0.00 -0.03 0.00 0.00 56.01 56.88 2win n LEU 720 Cb 0.40 -0.56 0.11 0.00 -2.33 0.00 0.00 43.42 41.04 2win n LEU 720 CO 0.65 -0.50 0.66 -0.26 -1.33 0.00 0.00 177.39 176.61 2win h PHE 721 N 0.00 0.00 0.00 -1.77 -1.00 -1.89 -3.08 116.94 109.20 2win h PHE 721 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2win h PHE 721 Cb 0.36 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.92 2win h PHE 721 CO 0.00 0.17 -0.38 1.04 -1.61 0.00 0.00 178.31 177.53 2win n GLN 722 N -3.13 0.08 -0.52 1.51 1.13 -0.78 -3.69 117.38 111.99 2win n GLN 722 Ca 0.03 0.03 0.07 0.00 -1.94 0.00 0.00 57.00 55.19 2win n GLN 722 Cb 0.60 -1.56 0.15 0.00 0.11 0.00 0.00 30.24 29.54 2win n GLN 722 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 2win n VAL 723 N -1.69 1.66 -0.01 5.09 0.24 -1.22 -4.84 118.33 117.56 2win n VAL 723 Ca 0.05 -2.40 -0.09 0.00 -2.04 0.00 0.00 64.34 59.87 2win n VAL 723 Cb 0.37 -0.03 -0.04 0.00 -1.47 0.00 0.00 33.84 32.67 2win n VAL 723 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 2win h LEU 724 N 0.59 -0.21 -2.00 1.34 5.85 -1.61 -2.39 115.31 116.88 2win h LEU 724 Ca -0.03 0.05 0.17 0.00 0.84 0.00 0.00 57.88 58.91 2win h LEU 724 Cb 1.14 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.27 2win h LEU 724 CO 0.01 -0.09 0.42 -0.65 -0.34 0.00 0.00 178.44 177.79 2win h PRO 725 N -0.05 0.00 0.07 5.25 0.11 -1.89 0.17 132.00 135.66 2win h PRO 725 Ca 0.08 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.18 2win h PRO 725 Cb 0.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.27 2win h PRO 725 CO -0.17 0.00 -0.03 2.35 -0.21 0.00 0.00 178.00 179.94 2win h TRP 726 N 0.00 -0.08 -0.01 0.65 7.01 -1.83 -2.81 115.95 118.88 2win h TRP 726 Ca 0.27 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.28 2win h TRP 726 Cb 1.11 0.03 -0.00 0.00 -2.10 0.00 0.00 29.16 28.20 2win h TRP 726 CO 0.00 0.48 0.01 -0.07 -2.79 0.00 0.00 178.44 176.07 2win h LEU 727 N -0.90 0.00 -0.42 0.65 3.38 -1.15 0.79 115.31 117.66 2win h LEU 727 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2win h LEU 727 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2win h LEU 727 CO 0.01 0.00 0.00 0.50 0.09 0.00 0.00 178.44 179.04 2win h LYS 728 N 0.00 0.00 0.02 1.13 3.64 -0.68 -2.57 116.57 118.10 2win h LYS 728 Ca 0.01 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 59.04 2win h LYS 728 Cb 0.03 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.80 2win h LYS 728 CO -0.00 0.00 -1.90 -1.91 -2.27 0.00 0.00 179.45 173.37 2win n GLU 729 N -2.39 0.61 0.09 1.90 4.07 0.21 -4.21 120.64 120.92 2win n GLU 729 Ca 0.04 0.39 -0.20 0.00 -0.06 0.00 0.00 57.16 57.33 2win n GLU 729 Cb 0.34 -1.64 -0.12 0.00 -0.06 0.00 0.00 31.44 29.97 2win n GLU 729 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 2win h LYS 730 N -0.76 0.53 -1.08 5.31 1.79 -1.48 -3.27 116.57 117.61 2win h LYS 730 Ca -0.50 -0.71 -0.35 0.00 -2.18 0.00 0.00 60.65 56.90 2win h LYS 730 Cb 1.56 0.24 -0.19 0.00 -1.58 0.00 0.00 32.23 32.25 2win h LYS 730 CO -0.23 1.31 0.45 1.28 -1.08 0.00 0.00 179.45 181.18 2win n LEU 731 N -3.74 5.72 0.06 2.94 4.77 -0.97 -4.42 117.00 121.36 2win n LEU 731 Ca -0.12 -3.02 -0.08 0.00 -0.03 0.00 0.00 56.01 52.76 2win n LEU 731 Cb 0.97 -0.79 0.05 0.00 -2.33 0.00 0.00 43.42 41.32 2win n LEU 731 CO 0.56 0.95 0.37 0.06 -1.33 0.00 0.00 177.39 178.01 2win h GLN 732 N 0.86 0.34 -0.53 3.23 3.07 -1.73 -3.17 115.11 117.18 2win h GLN 732 Ca 0.40 -0.28 0.00 0.00 0.09 0.00 0.00 58.65 58.87 2win h GLN 732 Cb 1.90 0.06 0.00 0.00 0.08 0.00 0.00 27.48 29.52 2win h GLN 732 CO 0.78 0.92 0.00 -0.25 0.09 0.00 0.00 178.83 180.37 2win n ASP 733 N -3.83 3.43 -0.23 0.06 10.43 -1.26 -4.11 116.55 121.04 2win n ASP 733 Ca -0.04 -1.98 0.15 0.00 2.57 0.00 0.00 54.79 55.49 2win n ASP 733 Cb 0.69 -0.35 0.73 0.00 1.84 0.00 0.00 41.12 44.04 2win n ASP 733 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 2win n GLU 734 N 1.41 1.32 -3.70 -1.24 -0.58 -1.20 -4.93 120.64 111.73 2win n GLU 734 Ca 0.21 -0.47 -0.24 0.00 -0.42 0.00 0.00 57.16 56.24 2win n GLU 734 Cb 0.57 -1.48 0.03 0.00 -0.57 0.00 0.00 31.44 29.99 2win n GLU 734 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2win n ASP 735 N -0.43 -2.51 -0.03 1.62 -0.08 -1.26 -4.89 116.55 108.98 2win n ASP 735 Ca 0.21 -0.89 -0.21 0.00 -1.51 0.00 0.00 54.79 52.39 2win n ASP 735 Cb 0.23 -3.83 -0.13 0.00 2.34 0.00 0.00 41.12 39.72 2win n ASP 735 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2win n LEU 736 N -4.18 2.51 -0.04 -2.67 4.77 -1.26 -5.04 117.00 111.10 2win n LEU 736 Ca -0.23 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2win n LEU 736 Cb 0.65 -1.07 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 2win n LEU 736 CO 0.68 0.75 0.00 0.61 -1.33 0.00 0.00 177.39 178.10 2win n GLY 737 N 1.90 0.86 3.64 -0.72 0.00 -1.26 -4.16 105.19 105.44 2win n GLY 737 Ca -0.34 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.28 2win n GLY 737 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2win n PHE 738 N -0.12 1.01 -2.75 1.61 3.01 -1.26 -0.85 117.46 118.11 2win n PHE 738 Ca 0.00 0.41 -0.42 0.00 1.01 0.00 0.00 57.45 58.45 2win n PHE 738 Cb 0.03 -2.14 -0.03 0.00 -0.01 0.00 0.00 39.48 37.33 2win n PHE 738 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2win s LEU 739 N -3.05 4.12 0.66 4.37 1.43 -0.80 -4.84 118.68 120.58 2win s LEU 739 Ca 0.77 1.28 0.35 0.00 -1.03 0.00 0.00 54.13 55.50 2win s LEU 739 Cb -0.38 -3.41 1.89 0.00 0.03 0.00 0.00 46.19 44.32 2win s LEU 739 CO 0.46 -0.57 2.08 0.00 0.23 0.00 0.00 176.35 178.55 2win h ALA 740 N 7.46 1.28 0.00 4.21 0.00 -1.92 -3.49 119.26 126.80 2win h ALA 740 Ca -0.23 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2win h ALA 740 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2win h ALA 740 CO 0.92 -0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.94