#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gvk s ALA 246 N 0.00 3.43 0.02 -1.46 0.00 -1.26 -4.96 121.76 117.53 3gvk s ALA 246 Ca 0.00 0.96 0.01 0.00 0.00 0.00 0.00 51.96 52.93 3gvk s ALA 246 Cb 0.00 -3.37 -0.26 0.00 0.00 0.00 0.00 23.12 19.49 3gvk s ALA 246 CO 0.00 -0.29 0.91 0.87 0.00 0.00 0.00 175.76 177.25 3gvk h LYS 247 N 4.26 0.17 -5.67 0.00 6.56 -1.94 -3.49 116.57 116.46 3gvk h LYS 247 Ca -0.46 -0.29 -0.34 0.00 -1.06 0.00 0.00 60.65 58.50 3gvk h LYS 247 Cb 1.21 0.11 0.17 0.00 -0.57 0.00 0.00 32.23 33.15 3gvk h LYS 247 CO 0.69 1.01 -0.76 0.41 -2.06 0.00 0.00 179.45 178.74 3gvk n GLY 248 N 1.60 -0.38 0.19 3.86 0.00 -1.26 -4.93 105.19 104.27 3gvk n GLY 248 Ca -0.14 0.11 0.04 0.00 0.00 0.00 0.00 46.02 46.04 3gvk n GLY 248 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gvk n ASP 249 N -3.12 1.10 -0.01 1.61 5.68 -1.15 -4.19 116.55 116.48 3gvk n ASP 249 Ca -0.26 -1.05 -0.00 0.00 -0.50 0.00 0.00 54.79 52.98 3gvk n ASP 249 Cb 0.66 0.49 -0.00 0.00 -1.14 0.00 0.00 41.12 41.13 3gvk n ASP 249 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gvk n GLY 250 N 0.86 0.47 1.10 6.12 0.00 -0.89 -4.81 105.19 108.04 3gvk n GLY 250 Ca 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3gvk n GLY 250 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3gvk n VAL 251 N -2.96 0.00 -2.11 1.61 0.24 -1.26 -4.73 118.33 109.13 3gvk n VAL 251 Ca -0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.88 3gvk n VAL 251 Cb 0.02 -0.51 -0.03 0.00 -1.47 0.00 0.00 33.84 31.86 3gvk n VAL 251 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3gvk s THR 252 N -1.71 3.08 -0.25 3.34 2.01 -1.26 -4.89 115.64 115.96 3gvk s THR 252 Ca 0.00 0.80 -0.29 0.00 0.31 0.00 0.00 61.69 62.51 3gvk s THR 252 Cb 0.00 -3.51 -0.03 0.00 0.01 0.00 0.00 72.50 68.97 3gvk s THR 252 CO 0.00 0.08 1.72 -0.62 -0.69 0.00 0.00 174.62 175.11 3gvk s ASP 253 N 0.94 6.18 -0.06 3.53 2.15 -1.26 -3.93 116.67 124.21 3gvk s ASP 253 Ca 0.64 1.57 0.16 0.00 0.43 0.00 0.00 52.55 55.36 3gvk s ASP 253 Cb -0.39 -2.53 0.53 0.00 -0.30 0.00 0.00 42.92 40.23 3gvk s ASP 253 CO 0.33 -1.43 1.45 0.47 -0.17 0.00 0.00 175.17 175.81 3gvk n ASP 254 N 9.16 3.81 0.05 -0.34 8.00 0.22 -4.71 116.55 132.75 3gvk n ASP 254 Ca 0.21 -2.26 -0.11 0.00 0.71 0.00 0.00 54.79 53.34 3gvk n ASP 254 Cb 0.45 -0.43 -0.04 0.00 -0.02 0.00 0.00 41.12 41.08 3gvk n ASP 254 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 3gvk h THR 255 N 3.08 0.54 -0.27 -3.53 2.02 -1.90 0.05 112.91 112.90 3gvk h THR 255 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 3gvk h THR 255 Cb 1.09 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 3gvk h THR 255 CO 0.10 0.00 0.16 0.00 0.37 0.00 0.00 175.52 176.14 3gvk h ALA 256 N 0.60 0.35 -0.87 6.16 0.00 -1.95 -0.96 119.26 122.58 3gvk h ALA 256 Ca 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gvk h ALA 256 Cb 0.39 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 3gvk h ALA 256 CO -0.19 -0.13 0.55 0.00 0.00 0.00 0.00 179.25 179.49 3gvk h ALA 257 N 1.04 1.33 0.00 0.00 0.00 -1.82 -2.05 119.26 117.75 3gvk h ALA 257 Ca 0.10 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 3gvk h ALA 257 Cb 0.05 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3gvk h ALA 257 CO -0.02 0.60 -0.61 -0.07 0.00 0.00 0.00 179.25 179.15 3gvk h LEU 258 N 1.19 0.00 -0.25 0.00 3.38 -0.81 -1.92 115.31 116.90 3gvk h LEU 258 Ca 0.32 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.22 3gvk h LEU 258 Cb -0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3gvk h LEU 258 CO -0.06 0.61 -0.10 0.74 0.09 0.00 0.00 178.44 179.71 3gvk h THR 259 N 0.00 1.30 -0.41 0.22 2.02 -0.78 -2.04 112.91 113.22 3gvk h THR 259 Ca -0.01 -1.16 -0.07 0.00 0.77 0.00 0.00 66.41 65.95 3gvk h THR 259 Cb 1.37 1.53 -0.02 0.00 -1.74 0.00 0.00 68.15 69.29 3gvk h THR 259 CO 0.08 0.36 -0.02 -1.28 0.37 0.00 0.00 175.52 175.03 3gvk h SER 260 N 0.24 0.64 -0.45 4.18 0.87 -1.42 -2.42 113.55 115.19 3gvk h SER 260 Ca 0.06 -0.15 0.01 0.00 -1.23 0.00 0.00 61.79 60.48 3gvk h SER 260 Cb 0.60 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.36 3gvk h SER 260 CO 0.03 0.72 0.29 0.00 -0.53 0.00 0.00 176.83 177.34 3gvk h ALA 261 N 1.35 0.57 -0.35 6.23 0.00 -1.20 -1.74 119.26 124.13 3gvk h ALA 261 Ca 0.13 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 3gvk h ALA 261 Cb 0.42 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3gvk h ALA 261 CO 0.02 -0.01 -0.27 -0.07 0.00 0.00 0.00 179.25 178.92 3gvk h LEU 262 N 0.58 0.73 -1.25 0.00 3.38 -1.23 -2.62 115.31 114.90 3gvk h LEU 262 Ca 0.17 -0.28 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 3gvk h LEU 262 Cb -0.04 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 3gvk h LEU 262 CO -0.05 0.97 -0.23 0.78 0.09 0.00 0.00 178.44 180.00 3gvk h ASN 263 N 0.61 0.22 0.88 -0.43 2.35 -1.23 -2.42 115.58 115.58 3gvk h ASN 263 Ca 0.08 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 3gvk h ASN 263 Cb 0.78 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.09 3gvk h ASN 263 CO 0.06 0.46 -0.18 0.47 -1.65 0.00 0.00 177.43 176.60 3gvk n ASP 264 N -4.19 0.24 -4.74 5.81 8.00 -0.67 -4.85 116.55 116.15 3gvk n ASP 264 Ca -0.01 0.27 -0.37 0.00 0.71 0.00 0.00 54.79 55.39 3gvk n ASP 264 Cb 0.34 -0.27 -0.06 0.00 -0.02 0.00 0.00 41.12 41.10 3gvk n ASP 264 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3gvk s THR 265 N -3.02 5.23 0.41 -3.53 2.01 -0.91 -5.05 115.64 110.79 3gvk s THR 265 Ca 0.12 0.74 -0.23 0.00 0.31 0.00 0.00 61.69 62.63 3gvk s THR 265 Cb 0.18 -3.71 -0.12 0.00 0.01 0.00 0.00 72.50 68.86 3gvk s THR 265 CO 0.59 0.39 0.78 -2.65 -0.69 0.00 0.00 174.62 173.04 3gvk n PRO 266 N 3.40 0.93 -1.54 4.92 -0.02 -1.26 -4.77 135.00 136.65 3gvk n PRO 266 Ca -0.10 0.34 -0.38 0.00 -2.02 0.00 0.00 63.50 61.33 3gvk n PRO 266 Cb 0.52 -1.76 -0.05 0.00 -0.02 0.00 0.00 33.50 32.19 3gvk n PRO 266 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3gvk n VAL 267 N -0.66 -0.01 -0.26 -1.45 0.31 -1.26 -0.48 118.33 114.52 3gvk n VAL 267 Ca 0.11 -0.64 0.00 0.00 -0.01 0.00 0.00 64.34 63.80 3gvk n VAL 267 Cb 0.39 -2.45 0.00 0.00 -0.91 0.00 0.00 33.84 30.87 3gvk n VAL 267 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gvk n GLY 268 N 6.07 0.85 3.87 2.92 0.00 -1.26 -5.09 105.19 112.55 3gvk n GLY 268 Ca 0.40 -0.16 -0.34 0.00 0.00 0.00 0.00 46.02 45.91 3gvk n GLY 268 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3gvk s GLN 269 N -0.61 3.77 -0.09 1.61 2.00 0.36 -5.09 119.66 121.61 3gvk s GLN 269 Ca 0.00 0.19 -0.12 0.00 -2.00 0.00 0.00 55.36 53.43 3gvk s GLN 269 Cb 0.00 -2.96 -0.05 0.00 0.80 0.00 0.00 33.01 30.80 3gvk s GLN 269 CO 0.00 0.53 0.29 0.15 -0.50 0.00 0.00 175.29 175.76 3gvk s LYS 270 N -2.03 3.89 -0.17 1.67 -0.14 -1.26 -4.83 119.74 116.88 3gvk s LYS 270 Ca 0.35 0.14 -0.18 0.00 -1.36 0.00 0.00 55.97 54.93 3gvk s LYS 270 Cb -0.14 -3.28 -0.04 0.00 -1.68 0.00 0.00 37.83 32.69 3gvk s LYS 270 CO 0.19 0.56 0.47 0.42 -0.76 0.00 0.00 175.35 176.23 3gvk s ILE 271 N -0.54 5.16 -0.34 2.17 1.01 0.45 -4.90 121.20 124.22 3gvk s ILE 271 Ca 0.19 0.89 -0.19 0.00 0.00 0.00 0.00 60.65 61.54 3gvk s ILE 271 Cb -0.14 -3.80 -0.00 0.00 0.01 0.00 0.00 42.46 38.52 3gvk s ILE 271 CO 0.07 0.25 0.56 0.21 0.00 0.00 0.00 174.94 176.03 3gvk s ASN 272 N 0.91 6.37 0.00 3.58 3.84 -1.26 -0.55 114.94 127.83 3gvk s ASN 272 Ca 0.24 0.09 0.31 0.00 0.21 0.00 0.00 52.86 53.71 3gvk s ASN 272 Cb -0.15 -2.29 1.74 0.00 -0.55 0.00 0.00 41.25 40.00 3gvk s ASN 272 CO 0.09 -0.50 2.14 0.61 -2.79 0.00 0.00 177.10 176.65 3gvk n GLY 273 N 4.71 -0.84 2.41 1.21 0.00 -0.57 -4.92 105.19 107.19 3gvk n GLY 273 Ca -0.03 -0.24 -0.19 0.00 0.00 0.00 0.00 46.02 45.56 3gvk n GLY 273 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3gvk n ASN 274 N -0.81 -5.44 0.00 1.61 3.02 -1.11 -1.93 115.26 110.61 3gvk n ASN 274 Ca 0.23 0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.82 3gvk n ASN 274 Cb 0.16 -4.55 0.00 0.00 -0.61 0.00 0.00 39.78 34.78 3gvk n ASN 274 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gvk n GLY 275 N -0.95 0.89 3.90 7.41 0.00 0.19 -5.03 105.19 111.60 3gvk n GLY 275 Ca -0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 3gvk n GLY 275 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gvk s LYS 276 N -0.00 3.15 -0.15 1.61 1.02 -0.81 -4.83 119.74 119.72 3gvk s LYS 276 Ca 0.00 0.32 -0.05 0.00 0.02 0.00 0.00 55.97 56.27 3gvk s LYS 276 Cb 0.00 -2.18 -0.03 0.00 -0.52 0.00 0.00 37.83 35.10 3gvk s LYS 276 CO 0.00 -0.69 0.01 0.99 -0.92 0.00 0.00 175.35 174.74 3gvk s THR 277 N -3.10 4.31 -0.15 2.17 2.01 -1.26 -2.42 115.64 117.21 3gvk s THR 277 Ca 0.54 -0.22 0.02 0.00 0.31 0.00 0.00 61.69 62.34 3gvk s THR 277 Cb -0.11 -2.89 0.01 0.00 0.01 0.00 0.00 72.50 69.52 3gvk s THR 277 CO 0.49 0.51 -0.20 -0.31 -0.69 0.00 0.00 174.62 174.41 3gvk s TYR 278 N 0.07 2.71 0.06 4.92 2.02 0.06 -2.09 117.35 125.10 3gvk s TYR 278 Ca 0.02 -1.33 -0.30 0.00 -0.37 0.00 0.00 57.07 55.09 3gvk s TYR 278 Cb -0.13 -1.84 -0.05 0.00 -0.40 0.00 0.00 41.96 39.54 3gvk s TYR 278 CO 0.02 -0.62 1.11 0.21 -1.57 0.00 0.00 175.55 174.70 3gvk s LYS 279 N 0.89 4.50 0.06 -0.62 2.20 -1.25 -1.23 119.74 124.28 3gvk s LYS 279 Ca -0.05 1.65 0.03 0.00 -0.36 0.00 0.00 55.97 57.24 3gvk s LYS 279 Cb -0.15 -3.37 -0.03 0.00 -1.51 0.00 0.00 37.83 32.77 3gvk s LYS 279 CO -0.03 -0.13 -0.09 0.14 -0.36 0.00 0.00 175.35 174.88 3gvk s VAL 280 N 0.81 0.68 -0.96 4.02 -7.23 -0.67 -0.61 120.40 116.45 3gvk s VAL 280 Ca 0.55 -1.30 0.24 0.00 -1.81 0.00 0.00 61.98 59.65 3gvk s VAL 280 Cb -0.27 -0.92 -0.08 0.00 0.56 0.00 0.00 36.38 35.68 3gvk s VAL 280 CO 0.30 -0.46 1.22 0.35 -0.31 0.00 0.00 175.10 176.20 3gvk n THR 281 N 1.10 0.02 -3.72 5.32 -2.24 -1.26 -4.44 114.28 109.07 3gvk n THR 281 Ca -0.20 -0.03 -0.14 0.00 -2.27 0.00 0.00 64.05 61.41 3gvk n THR 281 Cb 0.56 0.46 -0.09 0.00 -2.10 0.00 0.00 70.33 69.16 3gvk n THR 281 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3gvk s SER 282 N -3.11 -0.39 0.04 3.42 0.01 -1.26 -4.95 113.70 107.46 3gvk s SER 282 Ca 0.09 0.63 -0.30 0.00 1.31 0.00 0.00 55.95 57.68 3gvk s SER 282 Cb 0.17 0.69 -0.06 0.00 0.21 0.00 0.00 66.02 67.02 3gvk s SER 282 CO 0.76 -0.27 1.35 -0.76 0.41 0.00 0.00 173.24 174.73 3gvk s LEU 283 N -0.33 4.34 0.00 2.44 1.43 -1.26 -5.03 118.68 120.28 3gvk s LEU 283 Ca -0.05 2.13 -0.00 0.00 -1.03 0.00 0.00 54.13 55.19 3gvk s LEU 283 Cb -0.03 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.62 3gvk s LEU 283 CO 0.02 -0.65 0.00 -0.81 0.23 0.00 0.00 176.35 175.15 3gvk n PRO 284 N 4.75 0.12 -2.03 1.29 -0.04 -1.26 -4.91 135.00 132.93 3gvk n PRO 284 Ca 0.12 -0.01 -0.26 0.00 -0.04 0.00 0.00 63.50 63.31 3gvk n PRO 284 Cb 0.44 -0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.84 3gvk n PRO 284 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3gvk s ASP 285 N -1.01 5.08 0.46 3.54 2.15 -1.26 -4.81 116.67 120.82 3gvk s ASP 285 Ca 0.00 -0.72 0.11 0.00 0.43 0.00 0.00 52.55 52.37 3gvk s ASP 285 Cb -0.00 -2.56 1.05 0.00 -0.30 0.00 0.00 42.92 41.11 3gvk s ASP 285 CO 0.00 -2.82 2.10 0.40 -0.17 0.00 0.00 175.17 174.68 3gvk h ILE 286 N 7.20 1.06 0.00 4.11 2.04 -1.96 -2.22 117.51 127.73 3gvk h ILE 286 Ca 0.10 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.85 3gvk h ILE 286 Cb 1.00 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.84 3gvk h ILE 286 CO 1.20 0.06 0.00 0.77 0.00 0.00 0.00 178.15 180.18 3gvk h SER 287 N 0.28 0.00 -0.56 1.72 4.64 -1.99 -2.12 113.55 115.52 3gvk h SER 287 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3gvk h SER 287 Cb -0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 3gvk h SER 287 CO -0.02 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.48 3gvk n ARG 288 N -2.52 2.54 -4.71 4.77 1.74 -0.83 -4.88 116.66 112.77 3gvk n ARG 288 Ca -0.00 -2.12 -0.30 0.00 -0.77 0.00 0.00 57.85 54.65 3gvk n ARG 288 Cb 0.15 -1.53 -0.13 0.00 -1.02 0.00 0.00 32.46 29.93 3gvk n ARG 288 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3gvk s PHE 289 N -1.37 2.48 0.16 -1.55 0.08 -0.80 -0.41 117.98 116.57 3gvk s PHE 289 Ca 0.39 -0.31 0.08 0.00 0.12 0.00 0.00 56.93 57.22 3gvk s PHE 289 Cb 0.22 -1.43 -0.04 0.00 -0.57 0.00 0.00 43.02 41.19 3gvk s PHE 289 CO 0.25 0.22 -0.18 0.96 -0.10 0.00 0.00 175.22 176.36 3gvk s ILE 290 N -0.90 1.79 -1.53 0.64 -4.36 0.29 -3.93 121.20 113.20 3gvk s ILE 290 Ca 0.14 -1.87 -0.11 0.00 -0.26 0.00 0.00 60.65 58.54 3gvk s ILE 290 Cb -0.10 -1.80 0.08 0.00 1.25 0.00 0.00 42.46 41.88 3gvk s ILE 290 CO 0.04 -0.30 0.80 -3.20 0.24 0.00 0.00 174.94 172.53 3gvk n ASN 291 N 0.38 -3.16 -4.01 4.36 5.15 -0.74 -1.51 115.26 115.72 3gvk n ASN 291 Ca -0.14 -0.88 -0.19 0.00 -0.60 0.00 0.00 54.58 52.77 3gvk n ASN 291 Cb 0.57 -3.48 -0.15 0.00 -0.53 0.00 0.00 39.78 36.19 3gvk n ASN 291 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3gvk s THR 292 N -3.46 0.72 -0.04 -0.44 2.01 -1.26 -0.64 115.64 112.53 3gvk s THR 292 Ca 0.48 -0.36 0.07 0.00 0.31 0.00 0.00 61.69 62.19 3gvk s THR 292 Cb -0.25 -0.62 -0.01 0.00 0.01 0.00 0.00 72.50 71.62 3gvk s THR 292 CO 0.86 0.21 -0.24 -0.60 -0.69 0.00 0.00 174.62 174.17 3gvk s ARG 293 N -0.02 2.18 -0.09 4.92 3.52 -1.02 -1.07 118.95 127.37 3gvk s ARG 293 Ca 0.01 -0.86 -0.01 0.00 -0.13 0.00 0.00 55.73 54.74 3gvk s ARG 293 Cb -0.06 -1.97 -0.03 0.00 -1.56 0.00 0.00 34.95 31.33 3gvk s ARG 293 CO -0.00 0.44 -0.04 -0.06 -0.81 0.00 0.00 175.30 174.83 3gvk s PHE 294 N -0.35 3.03 -0.17 5.12 0.08 0.13 -0.76 117.98 125.06 3gvk s PHE 294 Ca 0.03 0.04 -0.04 0.00 0.12 0.00 0.00 56.93 57.08 3gvk s PHE 294 Cb -0.11 -1.77 -0.03 0.00 -0.57 0.00 0.00 43.02 40.54 3gvk s PHE 294 CO 0.01 0.33 -0.03 0.54 -0.10 0.00 0.00 175.22 175.98 3gvk s VAL 295 N -0.67 3.89 -0.12 -0.44 0.11 -0.37 -0.54 120.40 122.26 3gvk s VAL 295 Ca 0.10 -0.35 -0.10 0.00 -2.93 0.00 0.00 61.98 58.70 3gvk s VAL 295 Cb -0.12 -2.72 0.04 0.00 -1.53 0.00 0.00 36.38 32.05 3gvk s VAL 295 CO 0.02 0.47 0.32 -0.47 -3.33 0.00 0.00 175.10 172.11 3gvk s TYR 296 N 0.60 -0.37 -0.76 1.54 5.04 -0.55 -1.67 117.35 121.18 3gvk s TYR 296 Ca -0.02 0.89 -0.08 0.00 -2.44 0.00 0.00 57.07 55.42 3gvk s TYR 296 Cb -0.14 0.13 0.20 0.00 0.35 0.00 0.00 41.96 42.49 3gvk s TYR 296 CO 0.02 -0.20 0.64 -1.21 -1.34 0.00 0.00 175.55 173.47 3gvk s GLU 297 N 0.45 3.15 0.22 4.97 2.02 -1.26 -1.55 118.70 126.69 3gvk s GLU 297 Ca -0.02 -2.59 -0.09 0.00 0.02 0.00 0.00 54.97 52.29 3gvk s GLU 297 Cb -0.04 -4.09 0.19 0.00 0.10 0.00 0.00 34.13 30.29 3gvk s GLU 297 CO -0.02 -1.24 1.88 -0.09 0.02 0.00 0.00 175.26 175.81 3gvk h ARG 298 N 7.27 0.99 -5.15 1.61 2.43 -1.96 -3.37 114.38 116.20 3gvk h ARG 298 Ca 0.06 -0.06 -0.65 0.00 -0.81 0.00 0.00 59.98 58.52 3gvk h ARG 298 Cb 0.98 -0.22 -0.25 0.00 -0.42 0.00 0.00 29.97 30.06 3gvk h ARG 298 CO 0.75 0.65 -0.70 0.42 -1.51 0.00 0.00 179.97 179.58 3gvk s ILE 299 N -6.12 3.58 0.22 1.20 -1.09 -1.26 -5.09 121.20 112.63 3gvk s ILE 299 Ca -0.13 -0.45 -0.32 0.00 -2.23 0.00 0.00 60.65 57.53 3gvk s ILE 299 Cb 0.16 -2.59 -0.14 0.00 -1.58 0.00 0.00 42.46 38.31 3gvk s ILE 299 CO 0.78 0.46 1.36 -2.65 -1.23 0.00 0.00 174.94 173.66 3gvk n PRO 300 N 4.15 1.83 -0.53 2.79 -0.02 -1.26 -1.83 135.00 140.12 3gvk n PRO 300 Ca -0.18 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 3gvk n PRO 300 Cb 0.52 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 3gvk n PRO 300 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gvk n GLY 301 N 2.20 0.86 2.62 -1.23 0.00 -1.26 -4.99 105.19 103.39 3gvk n GLY 301 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 3gvk n GLY 301 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3gvk n GLN 302 N -2.00 1.44 -2.10 1.61 6.02 -0.76 -5.09 117.38 116.50 3gvk n GLN 302 Ca 0.00 -4.08 -0.42 0.00 -0.01 0.00 0.00 57.00 52.49 3gvk n GLN 302 Cb 0.00 -2.03 -0.03 0.00 1.02 0.00 0.00 30.24 29.20 3gvk n GLN 302 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3gvk s PRO 303 N -1.24 4.29 0.21 -1.09 0.04 -1.26 -4.43 135.00 131.51 3gvk s PRO 303 Ca 0.31 2.16 0.09 0.00 0.04 0.00 0.00 61.00 63.60 3gvk s PRO 303 Cb 0.03 -3.22 -0.05 0.00 0.04 0.00 0.00 34.50 31.31 3gvk s PRO 303 CO -0.14 -0.48 -0.18 -0.51 0.04 0.00 0.00 177.00 175.73 3gvk s LEU 304 N 1.05 2.52 0.04 -3.56 1.43 -0.59 -4.82 118.68 114.74 3gvk s LEU 304 Ca 0.66 -0.96 0.05 0.00 -1.03 0.00 0.00 54.13 52.85 3gvk s LEU 304 Cb -0.39 -0.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.92 3gvk s LEU 304 CO 0.31 -0.05 -0.08 -0.31 0.23 0.00 0.00 176.35 176.45 3gvk s TYR 305 N -2.45 2.82 -0.09 0.29 2.02 -0.32 -1.48 117.35 118.14 3gvk s TYR 305 Ca 0.22 -0.10 -0.02 0.00 -0.37 0.00 0.00 57.07 56.81 3gvk s TYR 305 Cb -0.04 -1.54 0.03 0.00 -0.40 0.00 0.00 41.96 40.01 3gvk s TYR 305 CO 0.09 0.38 0.01 0.71 -1.57 0.00 0.00 175.55 175.16 3gvk s TYR 306 N -1.06 0.73 -0.12 2.71 2.02 0.30 0.33 117.35 122.25 3gvk s TYR 306 Ca 0.18 -0.27 -0.16 0.00 -0.37 0.00 0.00 57.07 56.46 3gvk s TYR 306 Cb -0.11 -0.84 -0.05 0.00 -0.40 0.00 0.00 41.96 40.56 3gvk s TYR 306 CO 0.10 -0.37 0.39 0.00 -1.57 0.00 0.00 175.55 174.10 3gvk s ALA 307 N 1.95 3.56 0.85 3.71 0.00 -0.71 -0.69 121.76 130.42 3gvk s ALA 307 Ca 0.04 -0.30 -0.13 0.00 0.00 0.00 0.00 51.96 51.57 3gvk s ALA 307 Cb -0.13 -2.50 0.11 0.00 0.00 0.00 0.00 23.12 20.59 3gvk s ALA 307 CO -0.06 0.11 1.20 -1.54 0.00 0.00 0.00 175.76 175.47 3gvk s SER 308 N 0.30 4.17 0.48 0.00 1.04 -0.24 -4.86 113.70 114.59 3gvk s SER 308 Ca 0.22 0.72 -0.24 0.00 0.48 0.00 0.00 55.95 57.13 3gvk s SER 308 Cb -0.14 -1.15 -0.07 0.00 0.10 0.00 0.00 66.02 64.76 3gvk s SER 308 CO 0.08 -2.11 1.34 -0.62 0.98 0.00 0.00 173.24 172.90 3gvk n GLU 309 N -3.44 1.90 -0.32 4.02 -0.58 -1.25 -2.83 120.64 118.13 3gvk n GLU 309 Ca 0.09 0.68 0.00 0.00 -0.42 0.00 0.00 57.16 57.51 3gvk n GLU 309 Cb 0.61 -2.52 0.00 0.00 -0.57 0.00 0.00 31.44 28.96 3gvk n GLU 309 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3gvk n GLU 310 N -0.45 0.00 -0.14 3.49 1.02 -1.26 -1.79 120.64 121.51 3gvk n GLU 310 Ca 0.08 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.12 3gvk n GLU 310 Cb 0.42 -2.38 -0.01 0.00 -0.02 0.00 0.00 31.44 29.45 3gvk n GLU 310 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 3gvk h PHE 311 N 0.00 0.69 -3.31 -0.32 3.57 -1.82 -3.40 116.94 112.35 3gvk h PHE 311 Ca 0.00 -0.08 -0.65 0.00 3.53 0.00 0.00 57.97 60.77 3gvk h PHE 311 Cb 0.00 -0.20 -0.12 0.00 2.79 0.00 0.00 35.95 38.42 3gvk h PHE 311 CO 0.00 0.65 -0.64 0.14 -2.23 0.00 0.00 178.31 176.23 3gvk s VAL 312 N -5.34 4.19 -0.87 1.41 -7.23 -1.26 -4.95 120.40 106.34 3gvk s VAL 312 Ca -0.13 -0.80 -0.24 0.00 -1.81 0.00 0.00 61.98 59.00 3gvk s VAL 312 Cb 0.10 -2.96 0.05 0.00 0.56 0.00 0.00 36.38 34.14 3gvk s VAL 312 CO 0.77 0.21 1.30 -1.10 -0.31 0.00 0.00 175.10 175.98 3gvk s GLN 313 N -2.06 3.39 0.23 4.82 -0.21 -1.26 -4.92 119.66 119.64 3gvk s GLN 313 Ca 0.24 -0.82 -0.22 0.00 0.02 0.00 0.00 55.36 54.58 3gvk s GLN 313 Cb -0.12 -4.75 0.04 0.00 1.00 0.00 0.00 33.01 29.18 3gvk s GLN 313 CO 0.16 -2.10 0.77 0.20 -2.12 0.00 0.00 175.29 172.20 3gvk s GLY 314 N 4.24 -0.19 -0.17 3.09 0.00 -1.26 -0.47 107.32 112.57 3gvk s GLY 314 Ca 0.38 -0.08 -0.26 0.00 0.00 0.00 0.00 44.72 44.76 3gvk s GLY 314 CO 0.02 -0.03 0.66 1.85 0.00 0.00 0.00 173.10 175.60 3gvk s GLU 315 N -3.72 0.89 0.01 2.90 2.12 -0.42 -4.96 118.70 115.52 3gvk s GLU 315 Ca 0.10 0.64 -0.14 0.00 0.36 0.00 0.00 54.97 55.93 3gvk s GLU 315 Cb -0.04 0.43 -0.06 0.00 0.26 0.00 0.00 34.13 34.72 3gvk s GLU 315 CO 0.03 -0.19 0.40 -1.17 -0.54 0.00 0.00 175.26 173.80 3gvk s LEU 316 N -0.29 4.45 0.04 2.70 2.96 -1.26 -1.01 118.68 126.27 3gvk s LEU 316 Ca -0.05 0.93 0.08 0.00 -0.22 0.00 0.00 54.13 54.87 3gvk s LEU 316 Cb -0.03 -2.64 -0.03 0.00 0.50 0.00 0.00 46.19 44.00 3gvk s LEU 316 CO 0.04 0.30 -0.22 -0.36 -1.32 0.00 0.00 176.35 174.79 3gvk s PHE 317 N -1.13 1.97 -0.14 5.38 0.08 0.19 -4.98 117.98 119.35 3gvk s PHE 317 Ca 0.25 -0.38 -0.17 0.00 0.12 0.00 0.00 56.93 56.74 3gvk s PHE 317 Cb -0.16 -1.19 -0.04 0.00 -0.57 0.00 0.00 43.02 41.06 3gvk s PHE 317 CO 0.14 0.09 0.45 0.21 -0.10 0.00 0.00 175.22 176.01 3gvk s LYS 318 N -1.14 4.29 0.00 0.44 2.20 -1.26 -0.62 119.74 123.66 3gvk s LYS 318 Ca 0.09 0.37 0.00 0.00 -0.36 0.00 0.00 55.97 56.07 3gvk s LYS 318 Cb -0.09 -3.46 0.00 0.00 -1.51 0.00 0.00 37.83 32.77 3gvk s LYS 318 CO 0.02 0.11 0.00 0.44 -0.36 0.00 0.00 175.35 175.55 3gvk n ILE 319 N 3.85 0.00 -4.29 5.43 -5.35 -0.15 -4.95 119.36 113.90 3gvk n ILE 319 Ca -0.08 -0.12 -0.20 0.00 -0.27 0.00 0.00 62.75 62.09 3gvk n ILE 319 Cb 0.51 0.62 -0.11 0.00 -1.74 0.00 0.00 39.64 38.92 3gvk n ILE 319 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3gvk s THR 320 N -1.76 1.59 -0.47 7.28 -4.23 -1.11 -4.83 115.64 112.11 3gvk s THR 320 Ca 0.00 -1.82 0.06 0.00 -1.18 0.00 0.00 61.69 58.76 3gvk s THR 320 Cb 0.00 -1.70 0.21 0.00 1.34 0.00 0.00 72.50 72.36 3gvk s THR 320 CO 0.00 -0.36 0.66 -0.67 -0.54 0.00 0.00 174.62 173.72 3gvk n ASP 321 N 0.42 -2.06 -4.17 3.99 2.03 -1.26 -4.26 116.55 111.24 3gvk n ASP 321 Ca -0.14 -2.89 -0.20 0.00 0.52 0.00 0.00 54.79 52.08 3gvk n ASP 321 Cb 0.57 0.90 -0.13 0.00 -0.72 0.00 0.00 41.12 41.74 3gvk n ASP 321 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 3gvk s THR 322 N 0.29 1.19 -0.74 5.18 2.01 -1.26 -5.05 115.64 117.26 3gvk s THR 322 Ca 0.32 -1.18 0.20 0.00 0.31 0.00 0.00 61.69 61.34 3gvk s THR 322 Cb 0.11 -1.10 0.19 0.00 0.01 0.00 0.00 72.50 71.71 3gvk s THR 322 CO -0.15 -0.09 1.61 -2.65 -0.69 0.00 0.00 174.62 172.65 3gvk n PRO 323 N 1.57 0.10 -1.31 4.92 -0.02 -1.26 -4.77 135.00 134.24 3gvk n PRO 323 Ca -0.19 0.33 -0.31 0.00 -2.02 0.00 0.00 63.50 61.30 3gvk n PRO 323 Cb 0.54 -1.69 0.10 0.00 -0.02 0.00 0.00 33.50 32.43 3gvk n PRO 323 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3gvk s TYR 324 N -3.16 2.60 -0.71 6.00 2.02 -1.26 -0.96 117.35 121.88 3gvk s TYR 324 Ca 0.06 1.44 -0.26 0.00 -0.37 0.00 0.00 57.07 57.93 3gvk s TYR 324 Cb 0.10 -3.06 0.01 0.00 -0.40 0.00 0.00 41.96 38.61 3gvk s TYR 324 CO 0.35 -1.87 1.56 -0.47 -1.57 0.00 0.00 175.55 173.55 3gvk s TYR 325 N -2.95 2.02 -0.39 2.71 6.04 0.11 -4.48 117.35 120.41 3gvk s TYR 325 Ca 0.61 0.28 -0.12 0.00 0.04 0.00 0.00 57.07 57.88 3gvk s TYR 325 Cb -0.17 -4.39 0.03 0.00 -1.04 0.00 0.00 41.96 36.40 3gvk s TYR 325 CO 0.56 -2.15 0.24 -0.80 -1.54 0.00 0.00 175.55 171.86 3gvk s ASN 326 N 5.78 5.85 0.15 4.32 0.02 -0.93 -1.05 114.94 129.08 3gvk s ASN 326 Ca 0.50 -1.01 -0.04 0.00 -1.02 0.00 0.00 52.86 51.29 3gvk s ASN 326 Cb -0.09 -2.06 0.02 0.00 0.02 0.00 0.00 41.25 39.13 3gvk s ASN 326 CO 0.15 -0.42 0.27 0.00 0.02 0.00 0.00 177.10 177.12 3gvk n ALA 327 N 5.05 -0.55 -3.43 0.60 0.00 -1.02 -2.75 120.51 118.41 3gvk n ALA 327 Ca -0.11 -0.51 -0.22 0.00 0.00 0.00 0.00 53.44 52.59 3gvk n ALA 327 Cb 0.46 0.41 0.06 0.00 0.00 0.00 0.00 19.45 20.38 3gvk n ALA 327 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 3gvk n TRP 328 N -0.21 -2.24 0.28 0.00 8.01 -1.26 -1.95 117.44 120.08 3gvk n TRP 328 Ca -0.03 0.69 0.15 0.00 -1.31 0.00 0.00 57.50 57.01 3gvk n TRP 328 Cb 0.22 -3.85 0.84 0.00 -2.01 0.00 0.00 31.31 26.51 3gvk n TRP 328 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.69 175.33 3gvk h PRO 329 N -1.42 0.00 -6.16 -0.99 0.11 -1.73 -3.35 132.00 118.46 3gvk h PRO 329 Ca -0.63 0.00 -0.73 0.00 0.11 0.00 0.00 66.00 64.75 3gvk h PRO 329 Cb 1.33 0.00 0.04 0.00 0.11 0.00 0.00 31.00 32.48 3gvk h PRO 329 CO 0.46 0.07 0.47 0.00 -0.21 0.00 0.00 178.00 178.79 3gvk n GLN 330 N -3.53 0.80 -3.83 1.05 10.64 -0.30 -1.09 117.38 121.12 3gvk n GLN 330 Ca -0.02 0.29 -0.29 0.00 -1.83 0.00 0.00 57.00 55.15 3gvk n GLN 330 Cb 0.19 -1.90 -0.13 0.00 -0.86 0.00 0.00 30.24 27.54 3gvk n GLN 330 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 3gvk s ASP 331 N 1.16 4.06 0.00 2.61 2.15 0.27 -4.39 116.67 122.54 3gvk s ASP 331 Ca 0.90 -3.12 0.00 0.00 0.43 0.00 0.00 52.55 50.76 3gvk s ASP 331 Cb -1.09 -1.38 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 3gvk s ASP 331 CO 0.55 -0.20 0.03 0.29 -0.17 0.00 0.00 175.17 175.67 3gvk n LYS 332 N 2.93 5.10 -2.11 4.34 5.02 -0.25 -3.87 118.16 129.31 3gvk n LYS 332 Ca 0.11 -0.03 -0.37 0.00 -2.02 0.00 0.00 58.31 56.00 3gvk n LYS 332 Cb 0.35 -0.43 0.01 0.00 -0.02 0.00 0.00 35.03 34.93 3gvk n LYS 332 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3gvk s ALA 333 N -0.74 2.92 0.17 7.82 0.00 -1.26 -4.59 121.76 126.09 3gvk s ALA 333 Ca 0.00 1.06 -0.18 0.00 0.00 0.00 0.00 51.96 52.84 3gvk s ALA 333 Cb 0.00 -3.44 0.03 0.00 0.00 0.00 0.00 23.12 19.71 3gvk s ALA 333 CO 0.00 -0.89 0.50 -0.59 0.00 0.00 0.00 175.76 174.78 3gvk s PHE 334 N -1.47 -0.19 -0.16 0.00 -0.12 -1.09 -4.88 117.98 110.07 3gvk s PHE 334 Ca 0.66 -0.13 -0.02 0.00 -0.05 0.00 0.00 56.93 57.40 3gvk s PHE 334 Cb -0.32 0.37 -0.01 0.00 -0.63 0.00 0.00 43.02 42.42 3gvk s PHE 334 CO 0.39 -0.84 -0.09 0.08 -0.05 0.00 0.00 175.22 174.70 3gvk s VAL 335 N -3.84 3.26 -0.08 -2.49 1.01 -1.26 -0.96 120.40 116.04 3gvk s VAL 335 Ca 0.06 -0.57 -0.01 0.00 0.00 0.00 0.00 61.98 61.46 3gvk s VAL 335 Cb -0.00 -2.41 0.03 0.00 0.00 0.00 0.00 36.38 34.00 3gvk s VAL 335 CO -0.07 0.49 -0.01 -0.47 0.00 0.00 0.00 175.10 175.05 3gvk s TYR 336 N 0.64 0.77 -1.14 5.22 5.04 -0.54 -4.91 117.35 122.44 3gvk s TYR 336 Ca -0.05 -0.24 -0.28 0.00 -2.44 0.00 0.00 57.07 54.06 3gvk s TYR 336 Cb -0.15 -0.86 0.03 0.00 0.35 0.00 0.00 41.96 41.34 3gvk s TYR 336 CO 0.03 -0.35 0.68 0.39 -1.34 0.00 0.00 175.55 174.96 3gvk n GLU 337 N 5.11 -0.55 -0.59 4.97 1.02 -1.26 -2.01 120.64 127.33 3gvk n GLU 337 Ca -0.08 0.23 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 3gvk n GLU 337 Cb 0.50 -2.67 0.00 0.00 -0.02 0.00 0.00 31.44 29.25 3gvk n GLU 337 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3gvk n ASN 338 N -2.27 0.00 -4.57 1.62 4.13 -1.26 -5.00 115.26 107.91 3gvk n ASN 338 Ca -0.14 0.00 -0.34 0.00 1.68 0.00 0.00 54.58 55.78 3gvk n ASN 338 Cb 0.59 -0.10 -0.11 0.00 -1.54 0.00 0.00 39.78 38.62 3gvk n ASN 338 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3gvk s VAL 339 N -3.48 4.14 -0.21 2.41 1.01 -0.85 -4.81 120.40 118.61 3gvk s VAL 339 Ca 0.00 -0.28 -0.17 0.00 0.00 0.00 0.00 61.98 61.53 3gvk s VAL 339 Cb 0.00 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 3gvk s VAL 339 CO 0.00 0.52 0.46 -0.63 0.00 0.00 0.00 175.10 175.45 3gvk s ILE 340 N -0.01 5.15 -0.18 2.22 1.01 -0.89 -1.47 121.20 127.04 3gvk s ILE 340 Ca 0.02 0.82 -0.05 0.00 0.00 0.00 0.00 60.65 61.44 3gvk s ILE 340 Cb -0.13 -3.78 -0.03 0.00 0.01 0.00 0.00 42.46 38.53 3gvk s ILE 340 CO 0.02 0.20 -0.00 -0.31 0.00 0.00 0.00 174.94 174.85 3gvk s TYR 341 N 1.55 3.07 -0.71 3.97 2.02 -0.14 -0.96 117.35 126.15 3gvk s TYR 341 Ca 0.21 -0.29 0.04 0.00 -0.37 0.00 0.00 57.07 56.65 3gvk s TYR 341 Cb -0.15 -2.03 0.17 0.00 -0.40 0.00 0.00 41.96 39.55 3gvk s TYR 341 CO 0.09 -0.09 0.51 0.00 -1.57 0.00 0.00 175.55 174.49 3gvk s ALA 342 N 0.63 3.83 0.56 3.71 0.00 0.08 -2.68 121.76 127.90 3gvk s ALA 342 Ca -0.01 -3.78 -0.16 0.00 0.00 0.00 0.00 51.96 48.01 3gvk s ALA 342 Cb -0.14 -2.27 -0.05 0.00 0.00 0.00 0.00 23.12 20.65 3gvk s ALA 342 CO 0.02 -2.10 1.03 -2.14 0.00 0.00 0.00 175.76 172.58 3gvk s PRO 343 N -1.30 3.54 0.10 0.00 0.02 -1.26 -2.39 135.00 133.71 3gvk s PRO 343 Ca 0.24 1.15 -0.05 0.00 0.02 0.00 0.00 61.00 62.36 3gvk s PRO 343 Cb -0.07 -2.07 0.02 0.00 0.02 0.00 0.00 34.50 32.40 3gvk s PRO 343 CO -0.14 -0.62 0.24 2.48 -0.33 0.00 0.00 177.00 178.62 3gvk n TYR 344 N -1.80 -1.24 -4.67 6.54 0.18 0.63 -4.25 117.16 112.55 3gvk n TYR 344 Ca 0.08 -0.48 -0.28 0.00 1.88 0.00 0.00 57.90 59.10 3gvk n TYR 344 Cb 0.53 0.24 -0.17 0.00 -0.38 0.00 0.00 39.34 39.56 3gvk n TYR 344 CO 0.00 0.00 0.00 -1.64 -2.08 0.00 0.00 176.86 173.14 3gvk s MET 345 N -2.02 2.31 -0.34 -3.48 -1.94 -0.82 -0.80 119.30 112.21 3gvk s MET 345 Ca 0.05 -0.61 -0.08 0.00 -1.71 0.00 0.00 55.69 53.34 3gvk s MET 345 Cb -0.01 -1.88 0.02 0.00 2.01 0.00 0.00 34.83 34.97 3gvk s MET 345 CO 0.03 0.02 0.14 0.20 -0.01 0.00 0.00 175.02 175.39 3gvk s GLY 346 N 0.75 1.86 0.00 -0.03 0.00 -0.70 -2.44 107.32 106.77 3gvk s GLY 346 Ca -0.11 -1.63 0.00 0.00 0.00 0.00 0.00 44.72 42.98 3gvk s GLY 346 CO 0.02 0.76 0.00 -1.14 0.00 0.00 0.00 173.10 172.74 3gvk n SER 347 N 4.90 0.61 0.00 1.64 3.41 -0.21 -1.59 113.62 122.38 3gvk n SER 347 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 3gvk n SER 347 Cb 0.46 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 3gvk n SER 347 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3gvk n ASP 348 N 0.00 0.91 -3.52 4.04 5.68 -1.11 0.09 116.55 122.64 3gvk n ASP 348 Ca 0.00 -0.97 -0.02 0.00 -0.50 0.00 0.00 54.79 53.30 3gvk n ASP 348 Cb 0.00 0.06 0.01 0.00 -1.14 0.00 0.00 41.12 40.05 3gvk n ASP 348 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3gvk s ARG 349 N -0.06 1.10 -1.16 0.11 1.70 -1.26 -4.84 118.95 114.53 3gvk s ARG 349 Ca 0.00 -0.68 -0.20 0.00 -0.47 0.00 0.00 55.73 54.39 3gvk s ARG 349 Cb 0.00 0.33 -0.04 0.00 -0.57 0.00 0.00 34.95 34.66 3gvk s ARG 349 CO 0.00 -0.51 1.94 0.00 -1.08 0.00 0.00 175.30 175.65 3gvk n ALA 350 N -0.65 3.35 0.00 7.88 0.00 -1.26 -4.70 120.51 125.13 3gvk n ALA 350 Ca -0.04 -3.47 0.00 0.00 0.00 0.00 0.00 53.44 49.93 3gvk n ALA 350 Cb 0.60 -3.56 0.00 0.00 0.00 0.00 0.00 19.45 16.48 3gvk n ALA 350 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gvk n GLY 351 N 5.05 -1.33 1.05 0.00 0.00 -1.26 -5.04 105.19 103.66 3gvk n GLY 351 Ca 0.49 -0.94 0.11 0.00 0.00 0.00 0.00 46.02 45.67 3gvk n GLY 351 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3gvk n VAL 352 N 1.94 0.48 -2.09 1.61 0.24 -1.26 -4.80 118.33 114.45 3gvk n VAL 352 Ca 0.00 -0.74 -0.41 0.00 -2.04 0.00 0.00 64.34 61.15 3gvk n VAL 352 Cb 0.00 0.99 -0.02 0.00 -1.47 0.00 0.00 33.84 33.34 3gvk n VAL 352 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3gvk s SER 353 N -1.42 6.74 -1.32 -1.34 1.04 -1.26 -2.57 113.70 113.57 3gvk s SER 353 Ca 0.35 2.63 0.00 0.00 0.48 0.00 0.00 55.95 59.41 3gvk s SER 353 Cb 0.21 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.69 3gvk s SER 353 CO 0.29 -0.60 0.00 0.54 0.98 0.00 0.00 173.24 174.44 3gvk n ARG 354 N 1.73 -1.55 -2.79 4.02 1.74 -1.26 -2.75 116.66 115.80 3gvk n ARG 354 Ca 0.04 0.85 -0.41 0.00 -0.77 0.00 0.00 57.85 57.56 3gvk n ARG 354 Cb 0.41 -5.12 -0.04 0.00 -1.02 0.00 0.00 32.46 26.69 3gvk n ARG 354 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3gvk s LEU 355 N -3.10 4.39 -0.11 0.55 0.20 -1.06 -4.46 118.68 115.09 3gvk s LEU 355 Ca 0.00 1.59 0.03 0.00 0.69 0.00 0.00 54.13 56.44 3gvk s LEU 355 Cb 0.00 -3.47 0.01 0.00 -0.43 0.00 0.00 46.19 42.30 3gvk s LEU 355 CO 0.00 -0.18 -0.21 -1.00 -0.29 0.00 0.00 176.35 174.67 3gvk s HIS 356 N 0.71 2.38 0.07 5.38 3.76 -0.62 -4.67 115.29 122.30 3gvk s HIS 356 Ca 0.48 -1.05 -0.31 0.00 -0.15 0.00 0.00 55.06 54.03 3gvk s HIS 356 Cb -0.21 -1.62 -0.08 0.00 1.11 0.00 0.00 32.58 31.78 3gvk s HIS 356 CO 0.26 -0.46 1.59 0.08 -0.85 0.00 0.00 174.74 175.36 3gvk s VAL 357 N 0.58 3.12 0.25 -0.90 1.01 -1.26 -1.72 120.40 121.49 3gvk s VAL 357 Ca -0.14 0.61 0.02 0.00 0.00 0.00 0.00 61.98 62.47 3gvk s VAL 357 Cb -0.17 -3.39 -0.05 0.00 0.00 0.00 0.00 36.38 32.77 3gvk s VAL 357 CO 0.04 0.01 0.05 -0.44 0.00 0.00 0.00 175.10 174.76 3gvk s SER 358 N 2.12 1.57 0.04 3.32 0.01 0.02 0.15 113.70 120.93 3gvk s SER 358 Ca 0.71 -1.32 -0.09 0.00 1.31 0.00 0.00 55.95 56.56 3gvk s SER 358 Cb -0.39 0.07 0.00 0.00 0.21 0.00 0.00 66.02 65.92 3gvk s SER 358 CO 0.31 -0.64 0.19 -1.66 0.41 0.00 0.00 173.24 171.85 3gvk s TRP 359 N -3.58 0.07 0.23 2.43 -2.14 -0.71 -0.27 118.94 114.97 3gvk s TRP 359 Ca 0.34 -0.30 0.10 0.00 2.66 0.00 0.00 56.10 58.90 3gvk s TRP 359 Cb 0.07 -0.04 -0.04 0.00 -3.10 0.00 0.00 33.47 30.36 3gvk s TRP 359 CO 0.12 -0.43 -0.10 0.14 -2.66 0.00 0.00 176.95 174.02 3gvk s VAL 360 N -2.61 3.06 0.10 -0.66 -7.23 -1.00 -1.70 120.40 110.36 3gvk s VAL 360 Ca -0.05 -1.92 0.05 0.00 -1.81 0.00 0.00 61.98 58.24 3gvk s VAL 360 Cb -0.01 -2.57 -0.03 0.00 0.56 0.00 0.00 36.38 34.33 3gvk s VAL 360 CO -0.04 -0.26 -0.12 -0.54 -0.31 0.00 0.00 175.10 173.83 3gvk s LYS 361 N -3.23 0.89 -0.12 4.82 1.02 -1.26 -0.74 119.74 121.12 3gvk s LYS 361 Ca 0.28 -1.13 0.03 0.00 0.02 0.00 0.00 55.97 55.17 3gvk s LYS 361 Cb -0.07 -0.71 0.00 0.00 -0.52 0.00 0.00 37.83 36.53 3gvk s LYS 361 CO 0.16 0.13 -0.22 0.45 -0.92 0.00 0.00 175.35 174.95 3gvk s SER 362 N -2.27 3.19 -0.03 2.83 0.15 -0.13 -0.36 113.70 117.08 3gvk s SER 362 Ca 0.04 -0.55 0.19 0.00 0.70 0.00 0.00 55.95 56.33 3gvk s SER 362 Cb -0.05 -1.44 0.58 0.00 -1.71 0.00 0.00 66.02 63.39 3gvk s SER 362 CO 0.01 0.13 1.49 0.61 1.20 0.00 0.00 173.24 176.69 3gvk n GLY 363 N 3.70 2.69 2.78 9.45 0.00 -1.26 -2.08 105.19 120.46 3gvk n GLY 363 Ca -0.19 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.11 3gvk n GLY 363 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gvk n ASP 364 N 1.17 1.56 -3.22 1.61 5.68 -1.26 -4.99 116.55 117.10 3gvk n ASP 364 Ca 0.22 -2.03 -0.23 0.00 -0.50 0.00 0.00 54.79 52.25 3gvk n ASP 364 Cb 0.65 -0.47 0.04 0.00 -1.14 0.00 0.00 41.12 40.20 3gvk n ASP 364 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3gvk n ASP 365 N -0.56 -5.95 0.00 -1.12 8.00 -1.26 -3.23 116.55 112.43 3gvk n ASP 365 Ca 0.07 -0.38 0.00 0.00 0.71 0.00 0.00 54.79 55.19 3gvk n ASP 365 Cb 0.82 -4.78 0.00 0.00 -0.02 0.00 0.00 41.12 37.14 3gvk n ASP 365 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gvk n GLY 366 N -1.62 0.63 0.20 0.44 0.00 -1.26 -4.97 105.19 98.61 3gvk n GLY 366 Ca -0.07 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 3gvk n GLY 366 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3gvk h GLN 367 N 4.48 0.68 -4.56 1.61 4.20 -1.97 -3.46 115.11 116.08 3gvk h GLN 367 Ca 0.00 -0.43 -0.23 0.00 0.06 0.00 0.00 58.65 58.06 3gvk h GLN 367 Cb 0.00 0.05 -0.17 0.00 0.30 0.00 0.00 27.48 27.66 3gvk h GLN 367 CO 0.00 1.04 -0.71 0.95 -0.67 0.00 0.00 178.83 179.45 3gvk s THR 368 N -4.10 0.58 0.13 -0.54 -4.23 -1.26 -5.07 115.64 101.14 3gvk s THR 368 Ca -0.12 -1.61 0.05 0.00 -1.18 0.00 0.00 61.69 58.83 3gvk s THR 368 Cb 0.08 -1.27 -0.04 0.00 1.34 0.00 0.00 72.50 72.61 3gvk s THR 368 CO 0.84 -0.72 -0.12 0.26 -0.54 0.00 0.00 174.62 174.35 3gvk s TRP 369 N -2.86 1.30 0.77 3.99 0.52 -1.26 -4.22 118.94 117.18 3gvk s TRP 369 Ca 0.03 -0.66 -0.11 0.00 0.02 0.00 0.00 56.10 55.39 3gvk s TRP 369 Cb 0.00 -0.67 0.06 0.00 -1.15 0.00 0.00 33.47 31.72 3gvk s TRP 369 CO -0.03 0.11 1.13 -1.54 0.02 0.00 0.00 176.95 176.63 3gvk s SER 370 N -2.81 4.73 0.22 2.95 1.04 0.51 -4.93 113.70 115.42 3gvk s SER 370 Ca 0.12 0.77 -0.30 0.00 0.48 0.00 0.00 55.95 57.01 3gvk s SER 370 Cb -0.01 -1.35 -0.10 0.00 0.10 0.00 0.00 66.02 64.66 3gvk s SER 370 CO 0.02 -1.74 1.47 -0.89 0.98 0.00 0.00 173.24 173.08 3gvk s THR 371 N -3.47 2.67 0.29 2.02 2.01 -1.26 -4.62 115.64 113.28 3gvk s THR 371 Ca 0.61 0.53 -0.29 0.00 0.31 0.00 0.00 61.69 62.85 3gvk s THR 371 Cb -0.11 -3.34 -0.13 0.00 0.01 0.00 0.00 72.50 68.93 3gvk s THR 371 CO 0.48 0.07 1.33 -2.65 -0.69 0.00 0.00 174.62 173.17 3gvk n PRO 372 N 2.78 2.05 -4.81 4.92 -0.02 -1.26 -4.84 135.00 133.83 3gvk n PRO 372 Ca 0.09 0.73 -0.33 0.00 -2.02 0.00 0.00 63.50 61.96 3gvk n PRO 372 Cb 0.40 -2.33 -0.14 0.00 -0.02 0.00 0.00 33.50 31.41 3gvk n PRO 372 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3gvk s GLU 373 N -1.18 3.02 -0.13 -0.52 2.12 -0.69 -4.98 118.70 116.33 3gvk s GLU 373 Ca 0.61 -0.68 -0.28 0.00 0.36 0.00 0.00 54.97 54.99 3gvk s GLU 373 Cb -0.61 -2.54 -0.01 0.00 0.26 0.00 0.00 34.13 31.23 3gvk s GLU 373 CO 0.56 0.40 0.92 -1.58 -0.54 0.00 0.00 175.26 175.02 3gvk s TRP 374 N -0.13 3.47 -0.12 5.30 0.51 -1.26 -1.74 118.94 124.97 3gvk s TRP 374 Ca -0.01 1.44 0.17 0.00 -2.12 0.00 0.00 56.10 55.58 3gvk s TRP 374 Cb -0.14 -3.10 -0.20 0.00 -0.81 0.00 0.00 33.47 29.23 3gvk s TRP 374 CO 0.03 -0.22 0.59 1.28 -0.51 0.00 0.00 176.95 178.12 3gvk n LEU 375 N 5.08 0.56 -4.29 2.99 4.77 0.12 -4.91 117.00 121.31 3gvk n LEU 375 Ca 0.07 0.25 -0.25 0.00 -0.03 0.00 0.00 56.01 56.05 3gvk n LEU 375 Cb 0.49 0.17 -0.13 0.00 -2.33 0.00 0.00 43.42 41.62 3gvk n LEU 375 CO 0.50 0.23 -0.52 0.42 -1.33 0.00 0.00 177.39 176.69 3gvk s THR 376 N -2.87 1.77 0.69 -5.08 -4.23 -1.17 -4.99 115.64 99.76 3gvk s THR 376 Ca -0.05 -1.49 -0.04 0.00 -1.18 0.00 0.00 61.69 58.92 3gvk s THR 376 Cb 0.09 -1.58 0.08 0.00 1.34 0.00 0.00 72.50 72.42 3gvk s THR 376 CO 0.83 0.01 0.97 -1.81 -0.54 0.00 0.00 174.62 174.08 3gvk s ASP 377 N -1.77 4.69 0.30 3.99 1.01 -1.26 -4.49 116.67 119.14 3gvk s ASP 377 Ca 0.07 0.12 -0.30 0.00 0.71 0.00 0.00 52.55 53.16 3gvk s ASP 377 Cb -0.10 -0.72 -0.11 0.00 1.01 0.00 0.00 42.92 43.00 3gvk s ASP 377 CO 0.04 -1.63 1.51 -0.76 0.21 0.00 0.00 175.17 174.54 3gvk s LEU 378 N -5.14 4.36 0.39 1.23 1.43 -1.26 -4.82 118.68 114.87 3gvk s LEU 378 Ca 0.62 2.86 -0.25 0.00 -1.03 0.00 0.00 54.13 56.33 3gvk s LEU 378 Cb -0.09 -3.64 -0.11 0.00 0.03 0.00 0.00 46.19 42.38 3gvk s LEU 378 CO 0.44 -0.81 1.00 1.57 0.23 0.00 0.00 176.35 178.78 3gvk n HIS 379 N 1.81 1.18 -0.02 0.29 -0.00 -1.26 -4.85 115.22 112.36 3gvk n HIS 379 Ca 0.06 0.59 0.23 0.00 -0.00 0.00 0.00 57.72 58.60 3gvk n HIS 379 Cb 0.39 -2.23 0.72 0.00 -0.00 0.00 0.00 29.99 28.87 3gvk n HIS 379 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3gvk h PRO 380 N 1.66 0.00 -0.60 1.57 0.11 -1.92 -0.77 132.00 132.06 3gvk h PRO 380 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3gvk h PRO 380 Cb 1.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 3gvk h PRO 380 CO 0.58 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.12 3gvk n ASP 381 N -4.09 5.52 -4.75 -2.05 8.00 -1.26 -4.96 116.55 112.96 3gvk n ASP 381 Ca 0.12 -2.82 -0.42 0.00 0.71 0.00 0.00 54.79 52.38 3gvk n ASP 381 Cb 0.73 -0.66 -0.01 0.00 -0.02 0.00 0.00 41.12 41.16 3gvk n ASP 381 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gvk n TYR 382 N 0.74 2.76 -0.87 1.24 9.36 -0.30 -1.18 117.16 128.92 3gvk n TYR 382 Ca 0.27 0.44 -0.05 0.00 3.32 0.00 0.00 57.90 61.88 3gvk n TYR 382 Cb 1.13 -2.51 0.29 0.00 -0.63 0.00 0.00 39.34 37.62 3gvk n TYR 382 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3gvk n PRO 383 N 0.86 3.61 -0.02 2.98 -0.04 -1.26 -4.93 135.00 136.20 3gvk n PRO 383 Ca 0.04 -2.85 -0.15 0.00 -0.04 0.00 0.00 63.50 60.49 3gvk n PRO 383 Cb 0.37 -2.16 -0.11 0.00 -0.04 0.00 0.00 33.50 31.56 3gvk n PRO 383 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3gvk h THR 384 N 2.56 1.54 -3.50 0.52 2.02 -1.56 -3.42 112.91 111.08 3gvk h THR 384 Ca 0.24 -1.97 -0.34 0.00 0.77 0.00 0.00 66.41 65.10 3gvk h THR 384 Cb 2.22 2.78 -0.14 0.00 -1.74 0.00 0.00 68.15 71.27 3gvk h THR 384 CO 0.69 0.54 -0.66 0.68 0.37 0.00 0.00 175.52 177.14 3gvk s VAL 385 N -3.09 0.90 0.28 3.16 -7.23 -1.19 -1.95 120.40 111.28 3gvk s VAL 385 Ca -0.16 -2.02 -0.15 0.00 -1.81 0.00 0.00 61.98 57.85 3gvk s VAL 385 Cb 0.01 -2.25 0.01 0.00 0.56 0.00 0.00 36.38 34.71 3gvk s VAL 385 CO 0.75 -0.39 0.58 0.21 -0.31 0.00 0.00 175.10 175.94 3gvk s ASN 386 N -3.25 -0.06 0.78 4.85 2.47 -0.21 -3.46 114.94 116.06 3gvk s ASN 386 Ca 0.27 -0.89 -0.12 0.00 0.42 0.00 0.00 52.86 52.54 3gvk s ASN 386 Cb 0.06 0.66 0.06 0.00 -1.45 0.00 0.00 41.25 40.57 3gvk s ASN 386 CO 0.07 -1.26 1.12 -0.31 -3.72 0.00 0.00 177.10 172.99 3gvk s TYR 387 N -3.77 2.99 -0.26 0.43 2.02 -1.26 -1.06 117.35 116.44 3gvk s TYR 387 Ca 0.19 1.01 -0.25 0.00 -0.37 0.00 0.00 57.07 57.65 3gvk s TYR 387 Cb -0.03 -3.20 0.09 0.00 -0.40 0.00 0.00 41.96 38.42 3gvk s TYR 387 CO 0.09 -1.63 0.81 -1.58 -1.57 0.00 0.00 175.55 171.68 3gvk s HIS 388 N -3.31 -0.68 -0.18 2.71 5.65 -0.54 -4.82 115.29 114.11 3gvk s HIS 388 Ca 0.60 1.64 -0.09 0.00 0.25 0.00 0.00 55.06 57.47 3gvk s HIS 388 Cb -0.13 0.31 0.07 0.00 -1.18 0.00 0.00 32.58 31.65 3gvk s HIS 388 CO 0.52 -0.35 0.43 0.00 -0.65 0.00 0.00 174.74 174.69 3gvk n MET 390 N 4.66 1.85 -3.70 0.00 2.81 -1.26 -4.87 117.12 116.62 3gvk n MET 390 Ca -0.18 -1.15 -0.21 0.00 -1.81 0.00 0.00 57.70 54.34 3gvk n MET 390 Cb 0.53 -0.82 -0.18 0.00 -0.71 0.00 0.00 33.22 32.04 3gvk n MET 390 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3gvk s SER 391 N -0.68 1.38 -0.24 7.83 0.15 -1.26 -0.56 113.70 120.32 3gvk s SER 391 Ca 0.01 -0.03 -0.25 0.00 0.70 0.00 0.00 55.95 56.38 3gvk s SER 391 Cb 0.01 -0.25 0.07 0.00 -1.71 0.00 0.00 66.02 64.14 3gvk s SER 391 CO 0.00 -0.24 0.70 -0.32 1.20 0.00 0.00 173.24 174.58 3gvk s MET 392 N 2.10 0.84 0.05 5.44 1.75 -1.26 -1.59 119.30 126.63 3gvk s MET 392 Ca 0.05 0.91 -0.09 0.00 -1.25 0.00 0.00 55.69 55.30 3gvk s MET 392 Cb -0.12 0.41 0.03 0.00 2.84 0.00 0.00 34.83 37.99 3gvk s MET 392 CO -0.04 -0.12 0.42 0.41 -0.65 0.00 0.00 175.02 175.05 3gvk n GLY 393 N 2.54 0.90 3.24 2.11 0.00 -0.36 -4.55 105.19 109.07 3gvk n GLY 393 Ca -0.14 -0.99 -0.31 0.00 0.00 0.00 0.00 46.02 44.58 3gvk n GLY 393 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gvk s VAL 394 N -2.31 1.98 -0.05 1.61 1.01 -1.26 -0.48 120.40 120.90 3gvk s VAL 394 Ca 0.10 -1.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.06 3gvk s VAL 394 Cb -0.01 -1.69 0.03 0.00 0.00 0.00 0.00 36.38 34.71 3gvk s VAL 394 CO 0.02 0.55 0.01 0.00 0.00 0.00 0.00 175.10 175.67 3gvk n ARG 396 N 4.70 -1.11 -1.15 0.00 0.63 -1.26 -1.89 116.66 116.58 3gvk n ARG 396 Ca -0.15 0.18 -0.05 0.00 -0.92 0.00 0.00 57.85 56.91 3gvk n ARG 396 Cb 0.50 -3.41 -0.02 0.00 0.45 0.00 0.00 32.46 29.98 3gvk n ARG 396 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3gvk n ASN 397 N -2.60 -4.48 -4.27 6.15 4.13 -1.26 -4.26 115.26 108.67 3gvk n ASN 397 Ca -0.21 0.13 -0.30 0.00 1.68 0.00 0.00 54.58 55.87 3gvk n ASN 397 Cb 0.63 -2.44 -0.16 0.00 -1.54 0.00 0.00 39.78 36.27 3gvk n ASN 397 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 3gvk s ARG 398 N -1.94 2.16 0.10 3.52 0.52 -0.79 -0.69 118.95 121.83 3gvk s ARG 398 Ca 0.00 -0.87 -0.30 0.00 -0.52 0.00 0.00 55.73 54.04 3gvk s ARG 398 Cb 0.00 -1.98 -0.06 0.00 0.52 0.00 0.00 34.95 33.43 3gvk s ARG 398 CO 0.00 0.46 1.17 -1.17 0.02 0.00 0.00 175.30 175.78 3gvk s LEU 399 N -0.40 4.40 0.01 2.53 2.96 0.67 -1.67 118.68 127.19 3gvk s LEU 399 Ca 0.04 2.05 0.08 0.00 -0.22 0.00 0.00 54.13 56.09 3gvk s LEU 399 Cb -0.11 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 42.97 3gvk s LEU 399 CO 0.01 -0.40 -0.26 -0.36 -1.32 0.00 0.00 176.35 174.02 3gvk s PHE 400 N 0.65 2.28 -0.14 5.38 0.08 0.37 -1.50 117.98 125.10 3gvk s PHE 400 Ca 0.56 -0.42 -0.13 0.00 0.12 0.00 0.00 56.93 57.06 3gvk s PHE 400 Cb -0.30 -1.42 0.04 0.00 -0.57 0.00 0.00 43.02 40.77 3gvk s PHE 400 CO 0.31 0.03 0.37 0.00 -0.10 0.00 0.00 175.22 175.84 3gvk s ALA 401 N -0.69 -0.92 -0.65 5.36 0.00 0.06 -1.22 121.76 123.70 3gvk s ALA 401 Ca 0.11 1.05 -0.22 0.00 0.00 0.00 0.00 51.96 52.90 3gvk s ALA 401 Cb -0.10 -0.61 0.08 0.00 0.00 0.00 0.00 23.12 22.49 3gvk s ALA 401 CO 0.00 -0.18 0.91 1.41 0.00 0.00 0.00 175.76 177.90 3gvk s MET 402 N 0.21 3.11 -0.39 0.00 1.75 -0.62 -0.98 119.30 122.38 3gvk s MET 402 Ca -0.00 -0.98 -0.20 0.00 -1.25 0.00 0.00 55.69 53.25 3gvk s MET 402 Cb -0.03 -4.26 0.01 0.00 2.84 0.00 0.00 34.83 33.40 3gvk s MET 402 CO 0.00 -1.75 0.63 0.42 -0.65 0.00 0.00 175.02 173.67 3gvk s ILE 403 N 3.69 4.87 0.17 10.11 -1.09 0.05 -4.46 121.20 134.54 3gvk s ILE 403 Ca 0.20 0.36 -0.04 0.00 -2.23 0.00 0.00 60.65 58.94 3gvk s ILE 403 Cb -0.18 -4.12 -0.05 0.00 -1.58 0.00 0.00 42.46 36.52 3gvk s ILE 403 CO 0.09 -0.43 0.39 -1.61 -1.23 0.00 0.00 174.94 172.15 3gvk s GLU 404 N 2.74 3.59 -0.18 2.79 2.02 0.10 -1.24 118.70 128.52 3gvk s GLU 404 Ca 0.23 -0.15 -0.03 0.00 0.02 0.00 0.00 54.97 55.04 3gvk s GLU 404 Cb -0.14 -2.83 -0.02 0.00 0.10 0.00 0.00 34.13 31.24 3gvk s GLU 404 CO 0.17 0.43 -0.06 0.99 0.02 0.00 0.00 175.26 176.80 3gvk s THR 405 N -1.75 3.47 0.08 3.63 2.01 -0.10 -1.47 115.64 121.52 3gvk s THR 405 Ca 0.41 -0.48 0.05 0.00 0.31 0.00 0.00 61.69 61.97 3gvk s THR 405 Cb -0.12 -2.54 -0.03 0.00 0.01 0.00 0.00 72.50 69.82 3gvk s THR 405 CO 0.26 0.46 -0.14 -0.13 -0.69 0.00 0.00 174.62 174.39 3gvk s ARG 406 N 0.89 0.86 0.32 4.92 0.52 -0.22 -0.60 118.95 125.64 3gvk s ARG 406 Ca -0.01 -1.03 -0.27 0.00 -0.52 0.00 0.00 55.73 53.90 3gvk s ARG 406 Cb -0.15 -0.80 -0.09 0.00 0.52 0.00 0.00 34.95 34.43 3gvk s ARG 406 CO 0.01 0.17 1.06 0.95 0.02 0.00 0.00 175.30 177.51 3gvk s THR 407 N -1.57 3.67 0.16 0.02 -4.23 -0.50 -1.04 115.64 112.14 3gvk s THR 407 Ca 0.01 1.50 -0.11 0.00 -1.18 0.00 0.00 61.69 61.91 3gvk s THR 407 Cb -0.08 -3.89 0.03 0.00 1.34 0.00 0.00 72.50 69.90 3gvk s THR 407 CO 0.02 0.22 1.60 -0.07 -0.54 0.00 0.00 174.62 175.85 3gvk h LEU 408 N 3.30 0.93 -0.82 4.79 4.07 -1.64 0.08 115.31 126.02 3gvk h LEU 408 Ca -0.47 -0.32 -0.04 0.00 0.08 0.00 0.00 57.88 57.13 3gvk h LEU 408 Cb 1.21 -0.25 -0.04 0.00 1.08 0.00 0.00 40.66 42.66 3gvk h LEU 408 CO 0.65 1.03 0.37 0.00 -1.08 0.00 0.00 178.44 179.41 3gvk h ALA 409 N 0.93 1.06 0.00 1.53 0.00 -1.89 -3.37 119.26 117.52 3gvk h ALA 409 Ca 0.14 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3gvk h ALA 409 Cb 0.58 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3gvk h ALA 409 CO 0.03 0.64 0.00 1.63 0.00 0.00 0.00 179.25 181.56 3gvk n LYS 410 N -4.31 2.07 -2.89 0.00 4.76 -1.24 -5.01 118.16 111.54 3gvk n LYS 410 Ca 0.08 -0.09 -0.21 0.00 -2.87 0.00 0.00 58.31 55.21 3gvk n LYS 410 Cb 0.16 -0.44 0.02 0.00 -1.84 0.00 0.00 35.03 32.93 3gvk n LYS 410 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3gvk n ASN 411 N -0.32 -5.61 -4.72 4.39 5.15 0.01 -4.97 115.26 109.20 3gvk n ASN 411 Ca 0.00 -0.20 -0.40 0.00 -0.60 0.00 0.00 54.58 53.37 3gvk n ASN 411 Cb 0.05 -4.58 -0.04 0.00 -0.53 0.00 0.00 39.78 34.67 3gvk n ASN 411 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3gvk s ALA 412 N -3.08 3.30 0.06 5.20 0.00 -1.25 -4.71 121.76 121.29 3gvk s ALA 412 Ca 0.23 0.25 -0.31 0.00 0.00 0.00 0.00 51.96 52.13 3gvk s ALA 412 Cb -0.11 -3.05 -0.07 0.00 0.00 0.00 0.00 23.12 19.90 3gvk s ALA 412 CO 0.28 -0.10 1.43 -1.17 0.00 0.00 0.00 175.76 176.20 3gvk s LEU 413 N 0.69 4.35 -0.01 0.00 2.96 -1.26 -1.42 118.68 123.99 3gvk s LEU 413 Ca 0.41 2.25 0.02 0.00 -0.22 0.00 0.00 54.13 56.60 3gvk s LEU 413 Cb -0.19 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 42.90 3gvk s LEU 413 CO 0.21 -0.71 0.03 0.35 -1.32 0.00 0.00 176.35 174.91 3gvk n THR 414 N 4.35 0.08 -3.64 3.68 -2.24 0.23 -4.98 114.28 111.75 3gvk n THR 414 Ca 0.13 -0.07 -0.15 0.00 -2.27 0.00 0.00 64.05 61.68 3gvk n THR 414 Cb 0.43 -0.24 -0.08 0.00 -2.10 0.00 0.00 70.33 68.34 3gvk n THR 414 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3gvk s ASN 415 N -2.77 -0.49 -0.05 3.42 2.47 -1.15 -4.28 114.94 112.09 3gvk s ASN 415 Ca -0.01 0.65 0.05 0.00 0.42 0.00 0.00 52.86 53.97 3gvk s ASN 415 Cb 0.01 0.65 -0.00 0.00 -1.45 0.00 0.00 41.25 40.46 3gvk s ASN 415 CO 0.10 -0.43 -0.20 0.00 -3.72 0.00 0.00 177.10 172.84 3gvk s ALA 417 N 0.03 0.48 -0.27 0.00 0.00 -0.37 -0.79 121.76 120.84 3gvk s ALA 417 Ca -0.06 -0.20 -0.23 0.00 0.00 0.00 0.00 51.96 51.47 3gvk s ALA 417 Cb -0.13 -0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 3gvk s ALA 417 CO 0.03 0.09 0.74 -1.17 0.00 0.00 0.00 175.76 175.46 3gvk s LEU 418 N 0.03 4.08 -0.13 0.00 2.96 -0.19 -0.77 118.68 124.66 3gvk s LEU 418 Ca 0.00 0.78 -0.01 0.00 -0.22 0.00 0.00 54.13 54.68 3gvk s LEU 418 Cb -0.04 -3.03 -0.02 0.00 0.50 0.00 0.00 46.19 43.60 3gvk s LEU 418 CO -0.00 -0.50 -0.08 0.26 -1.32 0.00 0.00 176.35 174.71 3gvk s TRP 419 N 2.76 2.92 0.06 5.38 0.52 -0.15 -0.53 118.94 129.90 3gvk s TRP 419 Ca 0.31 -0.38 0.00 0.00 0.02 0.00 0.00 56.10 56.05 3gvk s TRP 419 Cb -0.15 -1.87 -0.04 0.00 -1.15 0.00 0.00 33.47 30.27 3gvk s TRP 419 CO 0.09 -0.05 -0.05 0.16 0.02 0.00 0.00 176.95 177.13 3gvk s ASP 420 N 0.16 0.69 -0.26 2.95 1.47 -0.18 -0.76 116.67 120.73 3gvk s ASP 420 Ca -0.04 -0.88 -0.23 0.00 1.18 0.00 0.00 52.55 52.58 3gvk s ASP 420 Cb -0.14 0.13 0.07 0.00 -0.34 0.00 0.00 42.92 42.64 3gvk s ASP 420 CO 0.04 -0.47 0.69 -0.60 0.68 0.00 0.00 175.17 175.51 3gvk s ARG 421 N -3.27 0.79 0.41 2.11 3.52 -0.56 -0.08 118.95 121.87 3gvk s ARG 421 Ca 0.03 1.01 -0.25 0.00 -0.13 0.00 0.00 55.73 56.39 3gvk s ARG 421 Cb 0.02 0.35 -0.08 0.00 -1.56 0.00 0.00 34.95 33.68 3gvk s ARG 421 CO -0.06 -0.11 1.19 -1.25 -0.81 0.00 0.00 175.30 174.27 3gvk s PRO 422 N 0.58 4.01 0.35 5.12 0.04 -1.26 -0.23 135.00 143.60 3gvk s PRO 422 Ca -0.02 1.89 -0.21 0.00 0.04 0.00 0.00 61.00 62.70 3gvk s PRO 422 Cb -0.05 -2.67 -0.10 0.00 0.04 0.00 0.00 34.50 31.72 3gvk s PRO 422 CO -0.02 -0.37 0.87 -1.64 0.04 0.00 0.00 177.00 175.88 3gvk s MET 423 N -2.32 4.28 0.12 4.56 -1.94 0.14 -3.31 119.30 120.83 3gvk s MET 423 Ca 0.58 1.05 -0.31 0.00 -1.71 0.00 0.00 55.69 55.30 3gvk s MET 423 Cb -0.32 -2.50 -0.07 0.00 2.01 0.00 0.00 34.83 33.95 3gvk s MET 423 CO 0.40 0.15 1.30 -1.12 -0.01 0.00 0.00 175.02 175.74 3gvk s SER 424 N -1.97 6.94 0.02 3.03 0.01 -1.26 -4.47 113.70 116.00 3gvk s SER 424 Ca 0.54 2.24 -0.02 0.00 1.31 0.00 0.00 55.95 60.02 3gvk s SER 424 Cb -0.13 -2.59 -0.02 0.00 0.21 0.00 0.00 66.02 63.49 3gvk s SER 424 CO 0.18 -0.55 0.02 -0.13 0.41 0.00 0.00 173.24 173.17 3gvk s ARG 425 N 0.75 0.41 -0.15 12.44 0.52 -1.22 -4.97 118.95 126.72 3gvk s ARG 425 Ca 0.60 -0.65 0.01 0.00 -0.52 0.00 0.00 55.73 55.17 3gvk s ARG 425 Cb -0.34 0.15 0.00 0.00 0.52 0.00 0.00 34.95 35.28 3gvk s ARG 425 CO 0.32 -0.08 -0.17 -1.12 0.02 0.00 0.00 175.30 174.27 3gvk s SER 426 N -1.67 3.54 -0.04 0.23 0.01 -1.26 -2.06 113.70 112.46 3gvk s SER 426 Ca -0.12 -0.50 0.07 0.00 1.31 0.00 0.00 55.95 56.70 3gvk s SER 426 Cb -0.07 -1.54 -0.02 0.00 0.21 0.00 0.00 66.02 64.60 3gvk s SER 426 CO -0.02 0.08 -0.23 -0.76 0.41 0.00 0.00 173.24 172.72 3gvk s LEU 427 N 0.85 2.21 -0.34 2.44 1.43 1.55 -4.86 118.68 121.97 3gvk s LEU 427 Ca -0.05 -0.42 -0.02 0.00 -1.03 0.00 0.00 54.13 52.62 3gvk s LEU 427 Cb -0.15 -1.40 0.07 0.00 0.03 0.00 0.00 46.19 44.74 3gvk s LEU 427 CO -0.01 0.31 0.07 -1.00 0.23 0.00 0.00 176.35 175.94 3gvk s HIS 428 N -0.52 3.41 0.32 0.29 3.76 -1.26 -1.80 115.29 119.49 3gvk s HIS 428 Ca 0.07 -2.14 0.10 0.00 -0.15 0.00 0.00 55.06 52.94 3gvk s HIS 428 Cb -0.11 -2.53 -0.06 0.00 1.11 0.00 0.00 32.58 30.99 3gvk s HIS 428 CO 0.00 -0.87 -0.13 -0.51 -0.85 0.00 0.00 174.74 172.38 3gvk s LEU 429 N 1.19 2.68 -0.14 0.89 1.43 -0.30 -4.96 118.68 119.46 3gvk s LEU 429 Ca 0.00 -1.14 0.01 0.00 -1.03 0.00 0.00 54.13 51.97 3gvk s LEU 429 Cb -0.21 -1.03 0.02 0.00 0.03 0.00 0.00 46.19 45.01 3gvk s LEU 429 CO -0.03 -0.12 -0.15 -0.89 0.23 0.00 0.00 176.35 175.40 3gvk s THR 430 N -2.58 1.58 0.00 5.49 2.01 -1.26 -0.53 115.64 120.34 3gvk s THR 430 Ca 0.32 -0.65 0.00 0.00 0.31 0.00 0.00 61.69 61.67 3gvk s THR 430 Cb -0.00 -1.47 0.00 0.00 0.01 0.00 0.00 72.50 71.04 3gvk s THR 430 CO 0.16 0.46 0.00 0.61 -0.69 0.00 0.00 174.62 175.16 3gvk n GLY 431 N 4.66 -0.60 0.47 4.40 0.00 -0.34 -4.75 105.19 109.03 3gvk n GLY 431 Ca -0.17 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.81 3gvk n GLY 431 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gvk n GLY 432 N 0.00 0.57 3.45 -0.02 0.00 -1.26 -4.90 105.19 103.03 3gvk n GLY 432 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3gvk n GLY 432 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gvk s ILE 433 N -2.29 3.56 0.04 -0.61 1.01 -1.26 -0.48 121.20 121.17 3gvk s ILE 433 Ca 0.00 -0.48 0.04 0.00 0.00 0.00 0.00 60.65 60.21 3gvk s ILE 433 Cb 0.00 -2.54 -0.02 0.00 0.01 0.00 0.00 42.46 39.91 3gvk s ILE 433 CO 0.00 0.51 -0.11 0.42 0.00 0.00 0.00 174.94 175.76 3gvk s THR 434 N 0.32 0.87 -0.20 2.92 -4.23 -0.80 -1.79 115.64 112.73 3gvk s THR 434 Ca -0.06 -0.96 -0.04 0.00 -1.18 0.00 0.00 61.69 59.45 3gvk s THR 434 Cb -0.15 -0.82 0.10 0.00 1.34 0.00 0.00 72.50 72.97 3gvk s THR 434 CO 0.04 -0.11 0.25 -0.75 -0.54 0.00 0.00 174.62 173.51 3gvk s LYS 435 N -1.20 0.21 0.39 3.99 2.20 0.29 -0.91 119.74 124.72 3gvk s LYS 435 Ca -0.02 0.30 -0.26 0.00 -0.36 0.00 0.00 55.97 55.63 3gvk s LYS 435 Cb -0.08 -1.00 -0.09 0.00 -1.51 0.00 0.00 37.83 35.15 3gvk s LYS 435 CO 0.01 -0.63 1.23 0.00 -0.36 0.00 0.00 175.35 175.60 3gvk s ALA 436 N 2.37 3.23 0.55 3.13 0.00 -1.26 -0.73 121.76 129.05 3gvk s ALA 436 Ca 0.08 1.10 -0.20 0.00 0.00 0.00 0.00 51.96 52.94 3gvk s ALA 436 Cb -0.15 -3.43 -0.06 0.00 0.00 0.00 0.00 23.12 19.47 3gvk s ALA 436 CO -0.12 -0.65 0.97 0.00 0.00 0.00 0.00 175.76 175.95 3gvk n ALA 437 N 0.19 0.19 -2.37 0.00 0.00 -1.26 -3.46 120.51 113.80 3gvk n ALA 437 Ca 0.04 0.06 -0.20 0.00 0.00 0.00 0.00 53.44 53.34 3gvk n ALA 437 Cb 0.45 -2.10 -0.01 0.00 0.00 0.00 0.00 19.45 17.78 3gvk n ALA 437 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3gvk n ASN 438 N -0.39 -5.68 -3.92 0.00 5.03 0.17 -4.96 115.26 105.51 3gvk n ASN 438 Ca 0.12 0.03 -0.09 0.00 0.87 0.00 0.00 54.58 55.51 3gvk n ASN 438 Cb 0.45 -4.74 -0.05 0.00 -1.02 0.00 0.00 39.78 34.42 3gvk n ASN 438 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3gvk s GLN 439 N -4.99 1.43 -0.00 3.52 1.03 -1.22 -4.99 119.66 114.43 3gvk s GLN 439 Ca 0.00 -1.13 0.18 0.00 0.04 0.00 0.00 55.36 54.45 3gvk s GLN 439 Cb 0.00 0.47 -0.21 0.00 0.03 0.00 0.00 33.01 33.29 3gvk s GLN 439 CO 0.00 -0.59 0.71 0.54 -2.54 0.00 0.00 175.29 173.41 3gvk n ARG 440 N -0.34 0.93 -3.22 9.60 1.74 -1.26 -4.57 116.66 119.56 3gvk n ARG 440 Ca -0.05 -0.03 -0.34 0.00 -0.77 0.00 0.00 57.85 56.66 3gvk n ARG 440 Cb 0.62 -1.37 -0.06 0.00 -1.02 0.00 0.00 32.46 30.63 3gvk n ARG 440 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3gvk s TYR 441 N -2.81 3.52 0.04 -1.55 2.02 -1.26 -1.22 117.35 116.09 3gvk s TYR 441 Ca 0.05 1.19 0.07 0.00 -0.37 0.00 0.00 57.07 58.00 3gvk s TYR 441 Cb 0.13 -2.48 -0.02 0.00 -0.40 0.00 0.00 41.96 39.19 3gvk s TYR 441 CO 0.75 0.27 -0.20 0.00 -1.57 0.00 0.00 175.55 174.80 3gvk s ALA 442 N -1.70 1.68 -0.19 3.71 0.00 -0.53 -4.34 121.76 120.38 3gvk s ALA 442 Ca 0.46 -1.03 -0.09 0.00 0.00 0.00 0.00 51.96 51.30 3gvk s ALA 442 Cb -0.13 -0.32 -0.05 0.00 0.00 0.00 0.00 23.12 22.62 3gvk s ALA 442 CO 0.19 0.37 0.13 0.99 0.00 0.00 0.00 175.76 177.45 3gvk s THR 443 N -0.81 5.43 -0.24 0.00 2.01 -0.09 -1.22 115.64 120.72 3gvk s THR 443 Ca 0.07 0.19 -0.01 0.00 0.31 0.00 0.00 61.69 62.25 3gvk s THR 443 Cb -0.09 -3.46 0.03 0.00 0.01 0.00 0.00 72.50 68.99 3gvk s THR 443 CO 0.02 0.47 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.71 3gvk s ILE 444 N 0.10 2.72 -0.48 1.82 -1.09 0.10 -1.91 121.20 122.47 3gvk s ILE 444 Ca 0.09 -1.06 -0.21 0.00 -2.23 0.00 0.00 60.65 57.24 3gvk s ILE 444 Cb -0.11 -2.37 0.04 0.00 -1.58 0.00 0.00 42.46 38.44 3gvk s ILE 444 CO -0.01 0.23 0.71 -2.28 -1.23 0.00 0.00 174.94 172.36 3gvk s HIS 445 N 1.30 3.00 -0.24 3.97 5.65 0.37 -1.79 115.29 127.55 3gvk s HIS 445 Ca 0.00 -0.14 -0.03 0.00 0.25 0.00 0.00 55.06 55.14 3gvk s HIS 445 Cb -0.16 -3.58 0.08 0.00 -1.18 0.00 0.00 32.58 27.74 3gvk s HIS 445 CO -0.06 -1.02 0.09 0.08 -0.65 0.00 0.00 174.74 173.18 3gvk s VAL 446 N 3.05 0.31 0.15 0.89 1.01 -0.11 -4.79 120.40 120.91 3gvk s VAL 446 Ca 0.23 -0.71 -0.34 0.00 0.00 0.00 0.00 61.98 61.16 3gvk s VAL 446 Cb -0.15 -1.06 -0.15 0.00 0.00 0.00 0.00 36.38 35.03 3gvk s VAL 446 CO 0.18 -0.46 1.48 -2.65 0.00 0.00 0.00 175.10 173.65 3gvk n PRO 447 N 5.11 1.85 -3.98 2.72 -0.02 -1.26 -2.45 135.00 136.98 3gvk n PRO 447 Ca -0.06 0.67 -0.28 0.00 -2.02 0.00 0.00 63.50 61.80 3gvk n PRO 447 Cb 0.45 -2.38 -0.01 0.00 -0.02 0.00 0.00 33.50 31.54 3gvk n PRO 447 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3gvk n ASP 448 N 3.00 -1.71 -0.02 2.55 8.00 -1.07 -4.86 116.55 122.43 3gvk n ASP 448 Ca 0.17 -0.95 0.04 0.00 0.71 0.00 0.00 54.79 54.76 3gvk n ASP 448 Cb 0.26 -3.23 0.42 0.00 -0.02 0.00 0.00 41.12 38.56 3gvk n ASP 448 CO 0.00 0.00 0.00 1.12 -0.39 0.00 0.00 177.20 177.93 3gvk h HIS 449 N -1.80 0.53 -1.00 1.24 2.07 -1.29 -3.45 115.15 111.46 3gvk h HIS 449 Ca -0.61 0.01 -0.25 0.00 -2.85 0.00 0.00 60.37 56.67 3gvk h HIS 449 Cb 1.38 -0.18 -0.07 0.00 2.57 0.00 0.00 27.41 31.10 3gvk h HIS 449 CO 0.53 0.33 -0.26 0.41 -3.07 0.00 0.00 177.93 175.87 3gvk n GLY 450 N -1.48 0.83 3.90 6.13 0.00 -1.26 -4.87 105.19 108.45 3gvk n GLY 450 Ca 0.04 -0.42 -0.29 0.00 0.00 0.00 0.00 46.02 45.35 3gvk n GLY 450 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gvk s LEU 451 N -3.10 4.25 0.34 0.99 1.43 -1.26 -4.78 118.68 116.54 3gvk s LEU 451 Ca 0.00 0.18 0.09 0.00 -1.03 0.00 0.00 54.13 53.37 3gvk s LEU 451 Cb 0.00 -2.85 -0.06 0.00 0.03 0.00 0.00 46.19 43.31 3gvk s LEU 451 CO 0.00 0.12 -0.05 -0.36 0.23 0.00 0.00 176.35 176.30 3gvk s PHE 452 N -1.59 2.47 0.09 0.29 0.08 -1.26 -4.99 117.98 113.07 3gvk s PHE 452 Ca 0.34 -0.46 -0.36 0.00 0.12 0.00 0.00 56.93 56.57 3gvk s PHE 452 Cb -0.12 -1.41 -0.16 0.00 -0.57 0.00 0.00 43.02 40.77 3gvk s PHE 452 CO 0.27 0.54 1.46 0.28 -0.10 0.00 0.00 175.22 177.67 3gvk n VAL 453 N -0.86 0.03 0.00 -0.44 0.31 -1.26 -1.53 118.33 114.58 3gvk n VAL 453 Ca -0.05 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 3gvk n VAL 453 Cb 0.63 -1.12 0.00 0.00 -0.91 0.00 0.00 33.84 32.44 3gvk n VAL 453 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gvk n GLY 454 N 2.97 3.17 3.76 2.92 0.00 -0.02 -4.95 105.19 113.04 3gvk n GLY 454 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 3gvk n GLY 454 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gvk s ASP 455 N -1.10 5.25 0.19 1.61 1.01 -0.58 -4.60 116.67 118.44 3gvk s ASP 455 Ca 0.00 2.36 -0.30 0.00 0.71 0.00 0.00 52.55 55.32 3gvk s ASP 455 Cb 0.00 -2.60 -0.08 0.00 1.01 0.00 0.00 42.92 41.25 3gvk s ASP 455 CO 0.00 -1.55 1.23 0.12 0.21 0.00 0.00 175.17 175.18 3gvk s PHE 456 N -1.63 3.37 -0.02 4.23 5.36 -1.26 -1.53 117.98 126.50 3gvk s PHE 456 Ca 0.77 1.37 -0.00 0.00 -0.96 0.00 0.00 56.93 58.10 3gvk s PHE 456 Cb -0.29 -3.48 0.03 0.00 -0.34 0.00 0.00 43.02 38.94 3gvk s PHE 456 CO 0.32 -1.40 0.04 0.14 -1.46 0.00 0.00 175.22 172.87 3gvk s VAL 457 N -0.01 -0.07 -0.10 3.12 -7.23 -0.54 -4.10 120.40 111.47 3gvk s VAL 457 Ca 0.54 0.24 -0.01 0.00 -1.81 0.00 0.00 61.98 60.95 3gvk s VAL 457 Cb -0.34 -0.10 -0.03 0.00 0.56 0.00 0.00 36.38 36.48 3gvk s VAL 457 CO 0.37 0.10 -0.07 0.21 -0.31 0.00 0.00 175.10 175.40 3gvk s ASN 458 N 1.22 4.58 -0.02 4.85 2.47 0.31 -0.39 114.94 127.95 3gvk s ASN 458 Ca -0.07 -0.10 0.08 0.00 0.42 0.00 0.00 52.86 53.18 3gvk s ASN 458 Cb -0.13 -1.40 -0.02 0.00 -1.45 0.00 0.00 41.25 38.25 3gvk s ASN 458 CO -0.03 0.28 -0.26 -0.36 -3.72 0.00 0.00 177.10 173.01 3gvk s PHE 459 N -0.31 2.31 -0.01 0.43 0.08 -0.56 -3.94 117.98 115.98 3gvk s PHE 459 Ca 0.04 -0.43 0.01 0.00 0.12 0.00 0.00 56.93 56.66 3gvk s PHE 459 Cb -0.13 -1.48 0.01 0.00 -0.57 0.00 0.00 43.02 40.85 3gvk s PHE 459 CO 0.02 -0.03 -0.01 0.45 -0.10 0.00 0.00 175.22 175.55 3gvk s SER 460 N -0.62 0.26 -1.46 1.36 0.15 -0.74 -0.58 113.70 112.06 3gvk s SER 460 Ca 0.10 -0.03 -0.09 0.00 0.70 0.00 0.00 55.95 56.63 3gvk s SER 460 Cb -0.10 -0.08 0.05 0.00 -1.71 0.00 0.00 66.02 64.18 3gvk s SER 460 CO -0.01 -0.02 0.78 0.59 1.20 0.00 0.00 173.24 175.78 3gvk n ASN 461 N 3.43 -5.24 0.24 5.45 3.02 -1.26 -1.74 115.26 119.16 3gvk n ASN 461 Ca -0.18 -0.49 0.10 0.00 -0.03 0.00 0.00 54.58 53.98 3gvk n ASN 461 Cb 0.56 -4.22 0.59 0.00 -0.61 0.00 0.00 39.78 36.10 3gvk n ASN 461 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 3gvk h SER 462 N -1.70 0.00 -0.51 6.41 4.64 -1.88 -3.40 113.55 117.10 3gvk h SER 462 Ca -0.53 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 60.57 3gvk h SER 462 Cb 1.35 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.36 3gvk h SER 462 CO 0.59 0.20 -0.20 0.00 -0.87 0.00 0.00 176.83 176.55 3gvk n ALA 463 N -2.31 -0.16 -3.91 5.18 0.00 -1.26 -4.77 120.51 113.27 3gvk n ALA 463 Ca -0.01 0.17 -0.30 0.00 0.00 0.00 0.00 53.44 53.30 3gvk n ALA 463 Cb 0.32 -1.54 -0.15 0.00 0.00 0.00 0.00 19.45 18.07 3gvk n ALA 463 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3gvk s VAL 464 N -2.12 1.53 0.07 0.00 1.01 -1.26 -4.80 120.40 114.83 3gvk s VAL 464 Ca 0.00 -1.46 -0.36 0.00 0.00 0.00 0.00 61.98 60.16 3gvk s VAL 464 Cb 0.00 -1.93 -0.15 0.00 0.00 0.00 0.00 36.38 34.30 3gvk s VAL 464 CO 0.00 -0.31 1.48 0.41 0.00 0.00 0.00 175.10 176.68 3gvk n THR 465 N 4.63 0.06 0.00 3.92 -1.04 -1.26 -1.26 114.28 119.32 3gvk n THR 465 Ca -0.07 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 3gvk n THR 465 Cb 0.43 -1.15 0.00 0.00 -1.82 0.00 0.00 70.33 67.80 3gvk n THR 465 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3gvk n GLY 466 N 3.05 3.21 3.46 3.41 0.00 -1.26 -4.91 105.19 112.14 3gvk n GLY 466 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 3gvk n GLY 466 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gvk s VAL 467 N -2.59 4.56 -0.28 1.61 1.01 -0.39 -4.49 120.40 119.83 3gvk s VAL 467 Ca 0.00 -1.23 -0.20 0.00 0.00 0.00 0.00 61.98 60.55 3gvk s VAL 467 Cb 0.00 -4.78 0.10 0.00 0.00 0.00 0.00 36.38 31.70 3gvk s VAL 467 CO 0.00 -1.54 0.83 -0.55 0.00 0.00 0.00 175.10 173.84 3gvk s SER 468 N 3.77 -0.70 0.63 3.32 0.15 -1.26 -4.45 113.70 115.16 3gvk s SER 468 Ca 0.31 1.22 0.00 0.00 0.70 0.00 0.00 55.95 58.19 3gvk s SER 468 Cb -0.07 1.27 0.00 0.00 -1.71 0.00 0.00 66.02 65.50 3gvk s SER 468 CO -0.05 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.80 3gvk n GLY 469 N 3.30 0.31 3.66 9.45 0.00 0.25 -4.71 105.19 117.45 3gvk n GLY 469 Ca -0.16 -0.88 -0.43 0.00 0.00 0.00 0.00 46.02 44.55 3gvk n GLY 469 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gvk s ASP 470 N -4.00 6.87 0.34 1.61 1.01 -1.26 -1.50 116.67 119.73 3gvk s ASP 470 Ca 0.00 1.87 0.07 0.00 0.71 0.00 0.00 52.55 55.20 3gvk s ASP 470 Cb 0.00 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.36 3gvk s ASP 470 CO 0.00 -0.79 0.26 -0.04 0.21 0.00 0.00 175.17 174.81 3gvk s MET 471 N 3.48 1.76 0.10 8.23 -1.94 0.47 -5.01 119.30 126.40 3gvk s MET 471 Ca 0.60 -2.03 0.03 0.00 -1.71 0.00 0.00 55.69 52.58 3gvk s MET 471 Cb -0.26 0.22 -0.04 0.00 2.01 0.00 0.00 34.83 36.77 3gvk s MET 471 CO 0.20 -0.63 -0.09 0.95 -0.01 0.00 0.00 175.02 175.44 3gvk s THR 472 N -3.44 0.84 -0.02 2.05 -4.23 -1.26 -1.47 115.64 108.11 3gvk s THR 472 Ca 0.39 -1.71 -0.30 0.00 -1.18 0.00 0.00 61.69 58.89 3gvk s THR 472 Cb 0.02 -1.42 -0.06 0.00 1.34 0.00 0.00 72.50 72.38 3gvk s THR 472 CO 0.26 -0.66 1.52 -0.69 -0.54 0.00 0.00 174.62 174.52 3gvk s VAL 473 N -2.78 3.60 -0.14 2.29 1.01 -0.58 -4.54 120.40 119.26 3gvk s VAL 473 Ca 0.07 0.89 -0.19 0.00 0.00 0.00 0.00 61.98 62.74 3gvk s VAL 473 Cb -0.01 -3.57 -0.25 0.00 0.00 0.00 0.00 36.38 32.56 3gvk s VAL 473 CO -0.01 -0.04 0.50 0.00 0.00 0.00 0.00 175.10 175.54 3gvk h ALA 474 N 8.58 0.17 -2.51 5.51 0.00 -1.29 -0.00 119.26 129.72 3gvk h ALA 474 Ca -0.38 -1.03 -0.12 0.00 0.00 0.00 0.00 54.91 53.38 3gvk h ALA 474 Cb 1.17 0.47 -0.17 0.00 0.00 0.00 0.00 17.79 19.27 3gvk h ALA 474 CO 0.93 0.66 -0.57 0.95 0.00 0.00 0.00 179.25 181.23 3gvk s THR 475 N -2.40 0.16 -0.20 0.00 -4.23 -1.22 -4.83 115.64 102.92 3gvk s THR 475 Ca -0.22 -1.32 -0.05 0.00 -1.18 0.00 0.00 61.69 58.92 3gvk s THR 475 Cb 0.04 -1.09 -0.02 0.00 1.34 0.00 0.00 72.50 72.76 3gvk s THR 475 CO 0.71 -0.73 -0.00 -0.69 -0.54 0.00 0.00 174.62 173.37 3gvk s VAL 476 N -3.09 3.97 -0.13 2.29 1.01 -1.26 -1.40 120.40 121.79 3gvk s VAL 476 Ca -0.01 -0.31 -0.12 0.00 0.00 0.00 0.00 61.98 61.55 3gvk s VAL 476 Cb 0.02 -2.79 -0.09 0.00 0.00 0.00 0.00 36.38 33.51 3gvk s VAL 476 CO -0.07 0.43 0.18 0.40 0.00 0.00 0.00 175.10 176.04 3gvk h ILE 477 N 5.35 0.55 -2.11 2.22 2.04 -1.51 -3.49 117.51 120.55 3gvk h ILE 477 Ca -0.36 -1.47 -0.01 0.00 1.00 0.00 0.00 64.86 64.02 3gvk h ILE 477 Cb 1.18 1.10 -0.00 0.00 -0.74 0.00 0.00 36.82 38.35 3gvk h ILE 477 CO 0.61 0.19 0.02 -0.90 0.00 0.00 0.00 178.15 178.07 3gvk n ASP 478 N -4.66 -0.20 0.22 1.72 5.68 -0.93 -4.99 116.55 113.39 3gvk n ASP 478 Ca -0.08 -1.16 0.15 0.00 -0.50 0.00 0.00 54.79 53.21 3gvk n ASP 478 Cb 0.25 0.33 0.78 0.00 -1.14 0.00 0.00 41.12 41.34 3gvk n ASP 478 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 3gvk h LYS 479 N 0.00 0.00 -0.01 0.11 2.10 -1.97 -2.63 116.57 114.18 3gvk h LYS 479 Ca -0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 3gvk h LYS 479 Cb 0.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.44 3gvk h LYS 479 CO 0.04 0.00 -0.03 -0.25 -2.00 0.00 0.00 179.45 177.21 3gvk n ASP 480 N -2.58 1.25 -3.79 7.07 8.00 -1.26 -2.60 116.55 122.64 3gvk n ASP 480 Ca -0.01 -1.12 -0.13 0.00 0.71 0.00 0.00 54.79 54.23 3gvk n ASP 480 Cb 0.10 0.14 -0.13 0.00 -0.02 0.00 0.00 41.12 41.20 3gvk n ASP 480 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3gvk s ASN 481 N -0.55 -0.13 0.21 -2.24 0.01 -0.99 -0.93 114.94 110.31 3gvk s ASN 481 Ca 0.05 0.30 -0.01 0.00 -0.71 0.00 0.00 52.86 52.49 3gvk s ASN 481 Cb 0.04 0.24 -0.04 0.00 0.41 0.00 0.00 41.25 41.90 3gvk s ASN 481 CO 0.08 -0.10 0.14 0.72 -1.51 0.00 0.00 177.10 176.43 3gvk s PHE 482 N 0.63 1.16 0.28 2.20 -0.12 -0.74 -1.24 117.98 120.15 3gvk s PHE 482 Ca -0.05 -1.38 0.12 0.00 -0.05 0.00 0.00 56.93 55.58 3gvk s PHE 482 Cb -0.06 -0.55 -0.05 0.00 -0.63 0.00 0.00 43.02 41.73 3gvk s PHE 482 CO -0.03 -0.65 -0.18 0.95 -0.05 0.00 0.00 175.22 175.26 3gvk s THR 483 N -4.13 2.58 0.11 -4.49 -4.23 -0.49 0.00 115.64 104.98 3gvk s THR 483 Ca 0.39 -2.35 0.06 0.00 -1.18 0.00 0.00 61.69 58.61 3gvk s THR 483 Cb 0.07 -2.37 -0.03 0.00 1.34 0.00 0.00 72.50 71.51 3gvk s THR 483 CO 0.12 -0.39 -0.15 0.68 -0.54 0.00 0.00 174.62 174.34 3gvk s VAL 484 N -2.49 1.36 -0.26 2.29 -7.23 -0.36 -0.74 120.40 112.97 3gvk s VAL 484 Ca 0.30 -1.58 -0.16 0.00 -1.81 0.00 0.00 61.98 58.73 3gvk s VAL 484 Cb -0.05 -1.42 -0.03 0.00 0.56 0.00 0.00 36.38 35.43 3gvk s VAL 484 CO 0.16 -0.29 0.43 -0.22 -0.31 0.00 0.00 175.10 174.86 3gvk s LEU 485 N -2.17 4.06 0.39 1.32 2.96 -1.26 -1.45 118.68 122.52 3gvk s LEU 485 Ca 0.06 0.40 -0.00 0.00 -0.22 0.00 0.00 54.13 54.37 3gvk s LEU 485 Cb -0.07 -2.52 -0.02 0.00 0.50 0.00 0.00 46.19 44.07 3gvk s LEU 485 CO 0.03 -0.21 0.61 0.42 -1.32 0.00 0.00 176.35 175.88 3gvk s THR 486 N 2.06 4.72 -1.80 3.68 -4.23 -0.36 -4.96 115.64 114.76 3gvk s THR 486 Ca 0.18 -0.42 0.30 0.00 -1.18 0.00 0.00 61.69 60.57 3gvk s THR 486 Cb -0.16 -3.74 0.75 0.00 1.34 0.00 0.00 72.50 70.70 3gvk s THR 486 CO 0.09 -0.51 2.12 -2.65 -0.54 0.00 0.00 174.62 173.13 3gvk n PRO 487 N -1.92 0.77 -4.12 3.99 -0.02 -1.26 -4.82 135.00 127.62 3gvk n PRO 487 Ca -0.02 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.34 3gvk n PRO 487 Cb 0.57 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.47 3gvk n PRO 487 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3gvk s ASN 488 N -2.20 0.30 0.03 2.55 2.20 -1.26 -5.13 114.94 111.43 3gvk s ASN 488 Ca 0.40 -1.27 -0.06 0.00 -0.94 0.00 0.00 52.86 50.99 3gvk s ASN 488 Cb 0.21 0.51 -0.01 0.00 -2.00 0.00 0.00 41.25 39.96 3gvk s ASN 488 CO 0.39 -1.04 0.11 0.00 -2.94 0.00 0.00 177.10 173.62 3gvk s GLN 489 N -3.88 0.55 0.17 3.55 -2.07 -1.26 -4.38 119.66 112.34 3gvk s GLN 489 Ca 0.32 -0.64 0.07 0.00 -1.82 0.00 0.00 55.36 53.29 3gvk s GLN 489 Cb 0.03 0.22 -0.04 0.00 -1.09 0.00 0.00 33.01 32.13 3gvk s GLN 489 CO 0.13 -0.14 -0.15 -0.65 -1.32 0.00 0.00 175.29 173.17 3gvk s GLN 490 N -2.21 1.20 0.00 9.60 1.11 -1.26 -4.93 119.66 123.17 3gvk s GLN 490 Ca -0.08 -1.44 0.29 0.00 0.01 0.00 0.00 55.36 54.14 3gvk s GLN 490 Cb -0.03 -1.04 1.28 0.00 -1.01 0.00 0.00 33.01 32.21 3gvk s GLN 490 CO -0.03 0.18 1.89 0.25 0.01 0.00 0.00 175.29 177.60 3gvk n THR 491 N 0.03 0.00 -4.27 -0.19 -2.24 -1.26 0.43 114.28 106.78 3gvk n THR 491 Ca -0.11 -0.07 -0.21 0.00 -2.27 0.00 0.00 64.05 61.39 3gvk n THR 491 Cb 0.59 -0.08 -0.12 0.00 -2.10 0.00 0.00 70.33 68.62 3gvk n THR 491 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3gvk s SER 492 N -2.38 2.29 0.46 3.42 1.04 -1.26 -4.76 113.70 112.52 3gvk s SER 492 Ca 0.32 -0.75 -0.25 0.00 0.48 0.00 0.00 55.95 55.75 3gvk s SER 492 Cb 0.20 -0.11 -0.08 0.00 0.10 0.00 0.00 66.02 66.14 3gvk s SER 492 CO 0.45 -0.04 1.37 -1.81 0.98 0.00 0.00 173.24 174.19 3gvk s ASP 493 N -2.21 5.86 0.00 7.02 1.01 -1.26 -4.16 116.67 122.93 3gvk s ASP 493 Ca 0.08 2.79 0.07 0.00 0.71 0.00 0.00 52.55 56.21 3gvk s ASP 493 Cb -0.08 -2.64 -0.02 0.00 1.01 0.00 0.00 42.92 41.19 3gvk s ASP 493 CO 0.04 -1.17 -0.23 -0.76 0.21 0.00 0.00 175.17 173.26 3gvk s LEU 494 N -2.84 2.08 -0.12 1.23 1.43 0.09 -4.93 118.68 115.62 3gvk s LEU 494 Ca 0.62 -0.46 -0.15 0.00 -1.03 0.00 0.00 54.13 53.12 3gvk s LEU 494 Cb -0.41 -1.15 0.04 0.00 0.03 0.00 0.00 46.19 44.70 3gvk s LEU 494 CO 0.52 0.25 0.39 0.21 0.23 0.00 0.00 176.35 177.95 3gvk s ASN 495 N -0.75 -0.38 -0.27 2.29 3.84 -1.26 -0.54 114.94 117.87 3gvk s ASN 495 Ca 0.09 0.65 0.10 0.00 0.21 0.00 0.00 52.86 53.91 3gvk s ASN 495 Cb -0.09 0.70 0.50 0.00 -0.55 0.00 0.00 41.25 41.81 3gvk s ASN 495 CO 0.00 -0.22 1.44 -0.46 -2.79 0.00 0.00 177.10 175.08 3gvk n ASN 496 N 2.47 2.62 -4.60 -4.21 6.94 -0.74 -4.96 115.26 112.78 3gvk n ASN 496 Ca -0.15 -3.67 -0.50 0.00 -0.02 0.00 0.00 54.58 50.24 3gvk n ASN 496 Cb 0.57 -0.62 -0.05 0.00 -2.36 0.00 0.00 39.78 37.32 3gvk n ASN 496 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3gvk n ALA 497 N -1.06 -0.56 -0.93 -2.53 0.00 -1.26 -1.38 120.51 112.80 3gvk n ALA 497 Ca 0.31 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.23 3gvk n ALA 497 Cb 1.00 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 18.35 3gvk n ALA 497 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gvk n GLY 498 N 2.41 0.61 3.65 0.00 0.00 -1.26 -4.86 105.19 105.74 3gvk n GLY 498 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3gvk n GLY 498 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gvk s LYS 499 N -0.33 3.00 0.03 1.61 1.02 -0.48 -4.85 119.74 119.75 3gvk s LYS 499 Ca 0.00 -0.44 -0.23 0.00 0.02 0.00 0.00 55.97 55.32 3gvk s LYS 499 Cb 0.00 -2.77 -0.05 0.00 -0.52 0.00 0.00 37.83 34.49 3gvk s LYS 499 CO 0.00 0.65 0.70 -0.80 -0.92 0.00 0.00 175.35 174.99 3gvk s ASN 500 N -0.76 7.13 0.36 2.83 0.01 -1.26 -1.20 114.94 122.06 3gvk s ASN 500 Ca 0.12 1.35 -0.01 0.00 -0.71 0.00 0.00 52.86 53.61 3gvk s ASN 500 Cb -0.11 -2.43 0.01 0.00 0.41 0.00 0.00 41.25 39.12 3gvk s ASN 500 CO 0.02 0.05 0.49 -2.67 -1.51 0.00 0.00 177.10 173.48 3gvk n TRP 501 N 2.74 -1.44 -4.51 2.20 4.27 0.31 -4.84 117.44 116.16 3gvk n TRP 501 Ca -0.04 -2.47 -0.21 0.00 -3.89 0.00 0.00 57.50 50.89 3gvk n TRP 501 Cb 0.50 0.55 -0.15 0.00 -1.36 0.00 0.00 31.31 30.86 3gvk n TRP 501 CO 0.00 0.00 0.00 -1.01 -2.29 0.00 0.00 177.69 174.39 3gvk s HIS 502 N -2.89 1.11 0.01 -2.67 3.76 -0.71 -1.15 115.29 112.75 3gvk s HIS 502 Ca 0.31 -0.23 -0.05 0.00 -0.15 0.00 0.00 55.06 54.94 3gvk s HIS 502 Cb -0.01 -0.70 -0.01 0.00 1.11 0.00 0.00 32.58 32.97 3gvk s HIS 502 CO 0.22 -0.01 0.08 1.41 -0.85 0.00 0.00 174.74 175.59 3gvk s MET 503 N -0.41 0.46 0.00 1.40 1.75 -0.74 -1.80 119.30 119.96 3gvk s MET 503 Ca 0.04 -0.53 0.00 0.00 -1.25 0.00 0.00 55.69 53.95 3gvk s MET 503 Cb -0.05 0.18 0.00 0.00 2.84 0.00 0.00 34.83 37.80 3gvk s MET 503 CO -0.00 -0.10 0.00 0.41 -0.65 0.00 0.00 175.02 174.67 3gvk n GLY 504 N 1.35 0.54 3.79 2.11 0.00 -1.12 0.45 105.19 112.30 3gvk n GLY 504 Ca -0.22 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.58 3gvk n GLY 504 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gvk s THR 505 N -0.54 4.13 -0.15 2.61 -4.23 -0.87 0.11 115.64 116.70 3gvk s THR 505 Ca 0.00 -1.51 -0.05 0.00 -1.18 0.00 0.00 61.69 58.95 3gvk s THR 505 Cb 0.00 -3.26 0.07 0.00 1.34 0.00 0.00 72.50 70.65 3gvk s THR 505 CO 0.00 -0.33 0.30 -0.55 -0.54 0.00 0.00 174.62 173.50 3gvk s SER 506 N -3.82 0.20 0.07 3.99 0.15 -1.26 -3.38 113.70 109.64 3gvk s SER 506 Ca 0.33 0.69 -0.30 0.00 0.70 0.00 0.00 55.95 57.38 3gvk s SER 506 Cb -0.07 0.87 -0.18 0.00 -1.71 0.00 0.00 66.02 64.93 3gvk s SER 506 CO 0.24 -0.24 1.61 0.15 1.20 0.00 0.00 173.24 176.20 3gvk h PHE 507 N 8.26 -0.61 -0.71 3.44 3.57 -1.80 -2.84 116.94 126.26 3gvk h PHE 507 Ca -0.14 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.43 3gvk h PHE 507 Cb 1.11 0.20 -0.07 0.00 2.79 0.00 0.00 35.95 39.99 3gvk h PHE 507 CO 0.35 -0.36 0.36 1.25 -2.23 0.00 0.00 178.31 177.68 3gvk h HIS 508 N -0.69 0.66 0.00 0.41 2.76 -1.95 -2.64 115.15 113.69 3gvk h HIS 508 Ca -0.07 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.13 3gvk h HIS 508 Cb 0.52 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 29.29 3gvk h HIS 508 CO -0.03 0.26 -0.21 1.63 -1.30 0.00 0.00 177.93 178.28 3gvk n LYS 509 N -4.84 0.07 -4.01 5.26 4.76 -1.24 -4.85 118.16 113.32 3gvk n LYS 509 Ca 0.11 0.04 -0.32 0.00 -2.87 0.00 0.00 58.31 55.27 3gvk n LYS 509 Cb 0.25 -1.57 -0.06 0.00 -1.84 0.00 0.00 35.03 31.82 3gvk n LYS 509 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 3gvk s SER 510 N -3.36 5.93 0.72 4.39 0.01 -1.00 -4.62 113.70 115.77 3gvk s SER 510 Ca 0.12 0.18 -0.11 0.00 1.31 0.00 0.00 55.95 57.45 3gvk s SER 510 Cb 0.17 -1.74 0.02 0.00 0.21 0.00 0.00 66.02 64.68 3gvk s SER 510 CO 0.61 0.23 1.08 -2.16 0.41 0.00 0.00 173.24 173.41 3gvk s PRO 511 N -2.06 2.78 0.39 12.44 0.04 -1.26 -4.91 135.00 142.42 3gvk s PRO 511 Ca 0.27 0.59 -0.26 0.00 0.04 0.00 0.00 61.00 61.65 3gvk s PRO 511 Cb -0.12 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.33 3gvk s PRO 511 CO 0.19 -1.12 1.20 -1.58 0.04 0.00 0.00 177.00 175.73 3gvk s TRP 512 N -3.25 3.04 -0.22 0.56 0.52 -1.26 -4.73 118.94 113.59 3gvk s TRP 512 Ca 0.58 1.52 -0.16 0.00 0.02 0.00 0.00 56.10 58.07 3gvk s TRP 512 Cb -0.12 -3.46 -0.04 0.00 -1.15 0.00 0.00 33.47 28.70 3gvk s TRP 512 CO 0.53 -1.47 0.41 0.50 0.02 0.00 0.00 176.95 176.94 3gvk s ARG 513 N -2.22 4.13 -0.20 4.98 3.52 0.89 -4.94 118.95 125.12 3gvk s ARG 513 Ca 0.56 0.19 -0.01 0.00 -0.13 0.00 0.00 55.73 56.34 3gvk s ARG 513 Cb -0.33 -3.57 0.01 0.00 -1.56 0.00 0.00 34.95 29.50 3gvk s ARG 513 CO 0.42 -0.12 -0.13 0.15 -0.81 0.00 0.00 175.30 174.80 3gvk s LYS 514 N 1.57 3.13 -0.32 5.12 1.02 -1.26 -1.02 119.74 127.99 3gvk s LYS 514 Ca 0.19 -0.76 -0.02 0.00 0.02 0.00 0.00 55.97 55.40 3gvk s LYS 514 Cb -0.15 -2.76 0.06 0.00 -0.52 0.00 0.00 37.83 34.46 3gvk s LYS 514 CO 0.08 -0.21 0.03 0.99 -0.92 0.00 0.00 175.35 175.32 3gvk s THR 515 N 1.36 3.08 -0.11 2.17 2.01 0.31 -4.98 115.64 119.48 3gvk s THR 515 Ca 0.05 -1.45 -0.29 0.00 0.31 0.00 0.00 61.69 60.31 3gvk s THR 515 Cb -0.14 -2.81 -0.03 0.00 0.01 0.00 0.00 72.50 69.53 3gvk s THR 515 CO -0.09 -0.18 1.44 -0.62 -0.69 0.00 0.00 174.62 174.48 3gvk s ASP 516 N 1.32 6.82 0.00 3.53 -1.08 -1.26 -1.02 116.67 124.98 3gvk s ASP 516 Ca -0.03 1.95 0.22 0.00 -0.52 0.00 0.00 52.55 54.17 3gvk s ASP 516 Cb -0.20 -2.54 0.33 0.00 -1.46 0.00 0.00 42.92 39.06 3gvk s ASP 516 CO -0.01 -0.84 1.32 0.18 0.52 0.00 0.00 175.17 176.34 3gvk n LEU 517 N 6.83 3.22 0.00 -1.34 4.77 0.03 -4.97 117.00 125.54 3gvk n LEU 517 Ca 0.15 -1.36 0.00 0.00 -0.03 0.00 0.00 56.01 54.78 3gvk n LEU 517 Cb 0.44 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 3gvk n LEU 517 CO 0.59 0.65 0.00 0.61 -1.33 0.00 0.00 177.39 177.91 3gvk n GLY 518 N 1.36 0.42 3.55 -0.72 0.00 -1.17 -4.26 105.19 104.37 3gvk n GLY 518 Ca 0.17 -0.90 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 3gvk n GLY 518 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gvk s LEU 519 N 0.00 3.66 0.03 0.99 2.96 -1.26 -1.27 118.68 123.79 3gvk s LEU 519 Ca 0.00 -0.22 -0.30 0.00 -0.22 0.00 0.00 54.13 53.38 3gvk s LEU 519 Cb 0.00 -2.89 -0.06 0.00 0.50 0.00 0.00 46.19 43.74 3gvk s LEU 519 CO 0.00 -1.47 1.37 -0.63 -1.32 0.00 0.00 176.35 174.29 3gvk s ILE 520 N 4.73 3.69 0.33 6.68 1.01 -1.26 -4.96 121.20 131.43 3gvk s ILE 520 Ca 0.36 1.13 -0.29 0.00 0.00 0.00 0.00 60.65 61.85 3gvk s ILE 520 Cb -0.10 -3.73 -0.11 0.00 0.01 0.00 0.00 42.46 38.54 3gvk s ILE 520 CO 0.20 0.03 1.54 -2.16 0.00 0.00 0.00 174.94 174.55 3gvk s PRO 521 N 1.98 4.11 -1.12 2.79 0.04 -1.26 -3.66 135.00 137.88 3gvk s PRO 521 Ca 0.63 2.58 -0.15 0.00 0.04 0.00 0.00 61.00 64.10 3gvk s PRO 521 Cb -0.32 -3.00 -0.03 0.00 0.04 0.00 0.00 34.50 31.20 3gvk s PRO 521 CO 0.27 -0.59 0.83 0.43 0.04 0.00 0.00 177.00 177.98 3gvk n SER 522 N 1.34 -5.45 -3.83 6.66 7.64 -1.26 -5.02 113.62 113.71 3gvk n SER 522 Ca 0.05 -0.90 -0.17 0.00 1.01 0.00 0.00 58.87 58.86 3gvk n SER 522 Cb 0.38 -4.02 -0.16 0.00 -1.01 0.00 0.00 64.21 59.40 3gvk n SER 522 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3gvk s VAL 523 N -3.46 0.17 -0.27 0.44 1.01 -1.24 -4.57 120.40 112.48 3gvk s VAL 523 Ca 0.44 0.07 -0.07 0.00 0.00 0.00 0.00 61.98 62.42 3gvk s VAL 523 Cb -0.12 -0.25 -0.14 0.00 0.00 0.00 0.00 36.38 35.87 3gvk s VAL 523 CO 0.82 0.13 -0.30 0.41 0.00 0.00 0.00 175.10 176.16 3gvk n THR 524 N 4.02 1.48 -3.81 3.92 -1.04 0.14 -4.94 114.28 114.05 3gvk n THR 524 Ca -0.26 -0.45 -0.12 0.00 -2.04 0.00 0.00 64.05 61.18 3gvk n THR 524 Cb 0.51 -1.68 -0.11 0.00 -1.82 0.00 0.00 70.33 67.23 3gvk n THR 524 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3gvk s GLU 525 N -2.50 0.33 -0.17 -2.82 2.02 -1.10 -4.79 118.70 109.66 3gvk s GLU 525 Ca -0.37 0.13 -0.08 0.00 0.02 0.00 0.00 54.97 54.67 3gvk s GLU 525 Cb 0.12 0.15 -0.04 0.00 0.10 0.00 0.00 34.13 34.46 3gvk s GLU 525 CO 0.52 -0.06 0.10 0.08 0.02 0.00 0.00 175.26 175.92 3gvk s VAL 526 N -0.28 5.10 -0.18 2.63 1.01 -1.26 -2.23 120.40 125.19 3gvk s VAL 526 Ca -0.04 0.07 -0.11 0.00 0.00 0.00 0.00 61.98 61.91 3gvk s VAL 526 Cb -0.03 -3.29 0.06 0.00 0.00 0.00 0.00 36.38 33.12 3gvk s VAL 526 CO 0.01 0.49 0.44 -2.28 0.00 0.00 0.00 175.10 173.75 3gvk s HIS 527 N 0.08 -0.62 0.10 5.22 5.04 0.18 -3.99 115.29 121.30 3gvk s HIS 527 Ca 0.07 1.34 0.00 0.00 -1.54 0.00 0.00 55.06 54.93 3gvk s HIS 527 Cb -0.12 0.28 0.00 0.00 0.04 0.00 0.00 32.58 32.78 3gvk s HIS 527 CO -0.00 -0.34 0.00 0.45 -2.34 0.00 0.00 174.74 172.51 3gvk n SER 528 N 4.03 -1.24 -3.75 9.88 2.88 -0.34 -1.24 113.62 123.83 3gvk n SER 528 Ca -0.21 0.24 -0.12 0.00 -1.33 0.00 0.00 58.87 57.44 3gvk n SER 528 Cb 0.56 -0.61 -0.13 0.00 -0.75 0.00 0.00 64.21 63.28 3gvk n SER 528 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 3gvk s PHE 529 N -3.41 -0.31 -0.16 0.66 5.36 -1.26 -2.23 117.98 116.64 3gvk s PHE 529 Ca 0.00 0.74 -0.03 0.00 -0.96 0.00 0.00 56.93 56.69 3gvk s PHE 529 Cb 0.00 0.06 0.05 0.00 -0.34 0.00 0.00 43.02 42.79 3gvk s PHE 529 CO 0.00 -0.20 0.03 0.00 -1.46 0.00 0.00 175.22 173.59 3gvk s ALA 530 N 0.95 0.85 0.11 11.12 0.00 -0.23 -4.70 121.76 129.86 3gvk s ALA 530 Ca -0.07 -0.50 -0.31 0.00 0.00 0.00 0.00 51.96 51.08 3gvk s ALA 530 Cb -0.08 -1.05 -0.08 0.00 0.00 0.00 0.00 23.12 21.91 3gvk s ALA 530 CO -0.06 -0.99 1.50 0.99 0.00 0.00 0.00 175.76 177.20 3gvk s THR 531 N 1.93 3.08 -0.23 0.00 2.01 -1.26 -0.65 115.64 120.51 3gvk s THR 531 Ca 0.01 0.71 -0.16 0.00 0.31 0.00 0.00 61.69 62.55 3gvk s THR 531 Cb -0.16 -3.45 -0.12 0.00 0.01 0.00 0.00 72.50 68.78 3gvk s THR 531 CO -0.07 0.04 -0.18 -0.38 -0.69 0.00 0.00 174.62 173.34 3gvk n ILE 532 N 4.21 1.52 -1.62 1.82 2.08 -0.71 -4.65 119.36 122.01 3gvk n ILE 532 Ca 0.13 -0.15 0.00 0.00 0.56 0.00 0.00 62.75 63.29 3gvk n ILE 532 Cb 0.41 -2.04 0.00 0.00 -0.75 0.00 0.00 39.64 37.26 3gvk n ILE 532 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 3gvk n ASP 533 N -4.37 0.00 0.03 4.38 5.68 -1.07 -5.02 116.55 116.18 3gvk n ASP 533 Ca -0.38 0.00 0.10 0.00 -0.50 0.00 0.00 54.79 54.01 3gvk n ASP 533 Cb 0.72 0.00 0.44 0.00 -1.14 0.00 0.00 41.12 41.14 3gvk n ASP 533 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3gvk n ASN 534 N 0.00 0.17 -0.01 -1.12 5.15 -1.26 -3.76 115.26 114.43 3gvk n ASN 534 Ca 0.00 0.53 0.02 0.00 -0.60 0.00 0.00 54.58 54.53 3gvk n ASN 534 Cb 0.00 -0.57 -0.05 0.00 -0.53 0.00 0.00 39.78 38.63 3gvk n ASN 534 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3gvk n ASN 535 N -1.67 3.43 -1.68 1.20 3.02 -1.26 -4.63 115.26 113.66 3gvk n ASN 535 Ca 0.05 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.58 3gvk n ASN 535 Cb 0.26 1.13 0.01 0.00 -0.61 0.00 0.00 39.78 40.56 3gvk n ASN 535 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gvk n GLY 536 N 2.25 1.27 3.69 7.41 0.00 -1.25 -1.10 105.19 117.46 3gvk n GLY 536 Ca -0.04 -1.02 -0.09 0.00 0.00 0.00 0.00 46.02 44.87 3gvk n GLY 536 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3gvk s PHE 537 N -5.43 -0.14 0.15 1.61 -0.12 -1.01 -1.74 117.98 111.29 3gvk s PHE 537 Ca 0.07 -0.25 0.09 0.00 -0.05 0.00 0.00 56.93 56.79 3gvk s PHE 537 Cb -0.01 0.54 -0.04 0.00 -0.63 0.00 0.00 43.02 42.88 3gvk s PHE 537 CO 0.02 -1.08 -0.12 0.00 -0.05 0.00 0.00 175.22 173.99 3gvk s ALA 538 N -3.90 2.87 -0.01 1.99 0.00 0.17 -0.39 121.76 122.50 3gvk s ALA 538 Ca 0.11 -1.39 0.05 0.00 0.00 0.00 0.00 51.96 50.73 3gvk s ALA 538 Cb -0.03 -0.74 -0.01 0.00 0.00 0.00 0.00 23.12 22.33 3gvk s ALA 538 CO 0.02 0.54 -0.17 -1.64 0.00 0.00 0.00 175.76 174.51 3gvk s MET 539 N -2.51 1.40 0.63 0.00 -1.94 0.29 -1.06 119.30 116.10 3gvk s MET 539 Ca 0.22 -0.62 -0.11 0.00 -1.71 0.00 0.00 55.69 53.47 3gvk s MET 539 Cb -0.10 -1.35 -0.03 0.00 2.01 0.00 0.00 34.83 35.36 3gvk s MET 539 CO 0.13 0.37 1.04 0.20 -0.01 0.00 0.00 175.02 176.75 3gvk s GLY 540 N -0.41 1.67 0.14 -0.03 0.00 -0.38 0.53 107.32 108.85 3gvk s GLY 540 Ca 0.07 -0.04 -0.19 0.00 0.00 0.00 0.00 44.72 44.55 3gvk s GLY 540 CO -0.01 0.23 0.49 -2.52 0.00 0.00 0.00 173.10 171.30 3gvk s TYR 541 N -3.13 -0.36 0.05 1.90 -0.85 -0.28 -0.64 117.35 114.03 3gvk s TYR 541 Ca 0.56 0.10 -0.09 0.00 -0.52 0.00 0.00 57.07 57.12 3gvk s TYR 541 Cb -0.12 0.39 0.00 0.00 0.38 0.00 0.00 41.96 42.62 3gvk s TYR 541 CO 0.54 -0.76 0.18 -3.38 -1.52 0.00 0.00 175.55 170.60 3gvk s HIS 542 N -3.73 0.10 -0.22 -3.49 -3.43 -0.95 -1.59 115.29 102.00 3gvk s HIS 542 Ca 0.02 -0.40 0.02 0.00 -0.80 0.00 0.00 55.06 53.90 3gvk s HIS 542 Cb 0.01 -0.05 0.04 0.00 -1.43 0.00 0.00 32.58 31.14 3gvk s HIS 542 CO -0.12 -0.46 -0.13 -1.14 -2.00 0.00 0.00 174.74 170.90 3gvk s GLN 543 N -2.97 2.31 -0.16 -0.38 -0.44 0.93 -0.69 119.66 118.27 3gvk s GLN 543 Ca -0.02 -1.02 0.18 0.00 -2.50 0.00 0.00 55.36 52.00 3gvk s GLN 543 Cb 0.01 -2.62 0.45 0.00 -1.64 0.00 0.00 33.01 29.21 3gvk s GLN 543 CO -0.06 -0.43 1.17 0.41 0.50 0.00 0.00 175.29 176.88 3gvk n GLY 544 N 4.58 3.23 0.10 2.59 0.00 -1.26 -1.55 105.19 112.88 3gvk n GLY 544 Ca -0.16 -1.34 -0.12 0.00 0.00 0.00 0.00 46.02 44.40 3gvk n GLY 544 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gvk n ASP 545 N -0.39 1.35 -4.20 1.61 8.00 -1.26 -5.03 116.55 116.63 3gvk n ASP 545 Ca 0.16 -0.06 -0.12 0.00 0.71 0.00 0.00 54.79 55.49 3gvk n ASP 545 Cb 0.92 0.33 -0.10 0.00 -0.02 0.00 0.00 41.12 42.25 3gvk n ASP 545 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3gvk s VAL 546 N -2.44 0.72 0.15 2.53 -7.23 -1.26 -5.15 120.40 107.71 3gvk s VAL 546 Ca -0.19 -1.96 -0.22 0.00 -1.81 0.00 0.00 61.98 57.80 3gvk s VAL 546 Cb 0.07 -1.87 -0.08 0.00 0.56 0.00 0.00 36.38 35.06 3gvk s VAL 546 CO 0.64 -0.70 0.69 0.00 -0.31 0.00 0.00 175.10 175.42 3gvk s ALA 547 N -3.62 3.49 0.39 1.32 0.00 -1.26 -3.67 121.76 118.42 3gvk s ALA 547 Ca 0.17 0.20 -0.15 0.00 0.00 0.00 0.00 51.96 52.18 3gvk s ALA 547 Cb 0.05 -2.81 -0.09 0.00 0.00 0.00 0.00 23.12 20.28 3gvk s ALA 547 CO -0.01 0.34 0.83 -1.25 0.00 0.00 0.00 175.76 175.67 3gvk s PRO 548 N -1.34 3.98 0.36 0.00 0.04 -1.26 -5.13 135.00 131.65 3gvk s PRO 548 Ca 0.35 0.75 -0.27 0.00 0.04 0.00 0.00 61.00 61.87 3gvk s PRO 548 Cb -0.20 -2.32 -0.09 0.00 0.04 0.00 0.00 34.50 31.92 3gvk s PRO 548 CO 0.23 0.01 1.28 0.50 0.04 0.00 0.00 177.00 179.05 3gvk s ARG 549 N -3.40 4.19 -0.05 4.56 3.52 -1.24 -4.98 118.95 121.56 3gvk s ARG 549 Ca 0.56 2.13 0.04 0.00 -0.13 0.00 0.00 55.73 58.33 3gvk s ARG 549 Cb -0.10 -2.92 -0.02 0.00 -1.56 0.00 0.00 34.95 30.35 3gvk s ARG 549 CO 0.22 -0.29 -0.16 -1.21 -0.81 0.00 0.00 175.30 173.05 3gvk s GLU 550 N -2.00 2.47 -0.03 5.12 2.02 -0.60 -4.70 118.70 120.99 3gvk s GLU 550 Ca 0.52 -0.73 0.01 0.00 0.02 0.00 0.00 54.97 54.79 3gvk s GLU 550 Cb -0.38 -2.33 0.02 0.00 0.10 0.00 0.00 34.13 31.54 3gvk s GLU 550 CO 0.49 0.60 -0.01 0.08 0.02 0.00 0.00 175.26 176.44 3gvk s VAL 551 N -0.67 0.21 -0.01 2.63 1.01 -1.26 -0.05 120.40 122.26 3gvk s VAL 551 Ca 0.10 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.12 3gvk s VAL 551 Cb -0.11 -0.29 0.00 0.00 0.00 0.00 0.00 36.38 35.99 3gvk s VAL 551 CO 0.00 0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.85 3gvk n GLY 552 N 3.97 -0.95 3.12 4.51 0.00 -0.62 -1.60 105.19 113.63 3gvk n GLY 552 Ca -0.25 -0.09 -0.09 0.00 0.00 0.00 0.00 46.02 45.59 3gvk n GLY 552 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3gvk s LEU 553 N 0.00 1.93 -0.22 0.99 0.05 0.10 -1.13 118.68 120.41 3gvk s LEU 553 Ca 0.00 -0.69 -0.04 0.00 0.05 0.00 0.00 54.13 53.45 3gvk s LEU 553 Cb 0.00 0.56 -0.01 0.00 -2.05 0.00 0.00 46.19 44.69 3gvk s LEU 553 CO 0.00 -0.57 -0.03 -0.36 -0.55 0.00 0.00 176.35 174.84 3gvk s PHE 554 N -3.20 2.98 -0.25 3.48 0.08 0.19 -1.13 117.98 120.13 3gvk s PHE 554 Ca 0.00 -0.79 -0.10 0.00 0.12 0.00 0.00 56.93 56.15 3gvk s PHE 554 Cb 0.02 -2.11 -0.05 0.00 -0.57 0.00 0.00 43.02 40.31 3gvk s PHE 554 CO -0.07 -0.47 0.16 -0.47 -0.10 0.00 0.00 175.22 174.27 3gvk s TYR 555 N 1.39 3.29 -0.62 0.36 5.04 -0.22 -0.55 117.35 126.05 3gvk s TYR 555 Ca 0.05 0.19 -0.13 0.00 -2.44 0.00 0.00 57.07 54.74 3gvk s TYR 555 Cb -0.14 -2.28 0.16 0.00 0.35 0.00 0.00 41.96 40.04 3gvk s TYR 555 CO -0.01 0.02 0.54 -0.06 -1.34 0.00 0.00 175.55 174.69 3gvk s PHE 556 N 1.17 3.46 0.33 4.97 0.08 0.48 -0.05 117.98 128.41 3gvk s PHE 556 Ca 0.07 -1.75 0.08 0.00 0.12 0.00 0.00 56.93 55.46 3gvk s PHE 556 Cb -0.14 -3.69 0.59 0.00 -0.57 0.00 0.00 43.02 39.21 3gvk s PHE 556 CO 0.05 -0.99 1.78 -1.35 -0.10 0.00 0.00 175.22 174.62 3gvk h PRO 557 N 8.31 0.22 -2.17 0.24 0.11 -1.82 -2.69 132.00 134.21 3gvk h PRO 557 Ca -0.14 -0.08 -0.52 0.00 0.11 0.00 0.00 66.00 65.37 3gvk h PRO 557 Cb 1.06 -0.01 -0.35 0.00 0.11 0.00 0.00 31.00 31.81 3gvk h PRO 557 CO 0.89 0.52 -0.89 0.34 -0.21 0.00 0.00 178.00 178.64 3gvk s ASP 558 N -6.88 1.08 0.28 -2.05 -1.08 -1.25 -3.82 116.67 102.95 3gvk s ASP 558 Ca -0.05 -2.76 0.24 0.00 -0.52 0.00 0.00 52.55 49.46 3gvk s ASP 558 Cb 0.14 -0.06 1.00 0.00 -1.46 0.00 0.00 42.92 42.55 3gvk s ASP 558 CO 0.75 -0.17 1.73 0.00 0.52 0.00 0.00 175.17 178.01 3gvk n ALA 559 N 2.99 1.67 -0.07 3.66 0.00 -0.26 -0.66 120.51 127.83 3gvk n ALA 559 Ca 0.26 0.09 -0.11 0.00 0.00 0.00 0.00 53.44 53.69 3gvk n ALA 559 Cb 0.48 -1.40 -0.08 0.00 0.00 0.00 0.00 19.45 18.45 3gvk n ALA 559 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3gvk h PHE 560 N 0.00 0.00 0.08 0.00 0.04 -1.95 -3.24 116.94 111.88 3gvk h PHE 560 Ca 0.00 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.52 3gvk h PHE 560 Cb 0.38 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.53 3gvk h PHE 560 CO 0.00 0.70 -1.14 -0.91 -0.60 0.00 0.00 178.31 176.37 3gvk h ASN 561 N -1.00 0.31 -2.08 2.17 -0.26 -1.92 -3.41 115.58 109.39 3gvk h ASN 561 Ca -0.06 -0.32 -0.58 0.00 -0.56 0.00 0.00 56.30 54.78 3gvk h ASN 561 Cb 0.73 -0.10 -0.40 0.00 -1.06 0.00 0.00 38.32 37.48 3gvk h ASN 561 CO -0.04 1.23 -0.92 -1.20 -1.06 0.00 0.00 177.43 175.45 3gvk n SER 562 N -3.51 1.48 0.30 5.81 7.64 0.16 -4.95 113.62 120.55 3gvk n SER 562 Ca -0.06 -2.96 0.17 0.00 1.01 0.00 0.00 58.87 57.03 3gvk n SER 562 Cb 0.98 -0.65 0.93 0.00 -1.01 0.00 0.00 64.21 64.46 3gvk n SER 562 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3gvk h PRO 563 N 4.09 0.00 -0.00 1.43 0.13 -1.68 -2.44 132.00 133.53 3gvk h PRO 563 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3gvk h PRO 563 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 3gvk h PRO 563 CO 0.60 0.04 -0.22 -1.13 -0.23 0.00 0.00 178.00 177.05 3gvk n SER 564 N -3.52 0.51 -4.62 1.44 3.41 -1.26 -4.83 113.62 104.74 3gvk n SER 564 Ca -0.02 -0.38 -0.37 0.00 -0.26 0.00 0.00 58.87 57.84 3gvk n SER 564 Cb 0.14 -0.02 -0.10 0.00 -0.26 0.00 0.00 64.21 63.97 3gvk n SER 564 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3gvk s ASN 565 N -2.69 5.98 0.04 4.04 2.47 -0.92 -5.07 114.94 118.79 3gvk s ASN 565 Ca 0.21 0.05 -0.05 0.00 0.42 0.00 0.00 52.86 53.49 3gvk s ASN 565 Cb 0.19 -2.09 -0.01 0.00 -1.45 0.00 0.00 41.25 37.89 3gvk s ASN 565 CO 0.55 0.03 0.10 -0.72 -3.72 0.00 0.00 177.10 173.34 3gvk s TYR 566 N 1.26 0.20 -0.22 0.43 -0.85 -1.26 -4.28 117.35 112.62 3gvk s TYR 566 Ca 0.07 -0.50 -0.04 0.00 -0.52 0.00 0.00 57.07 56.08 3gvk s TYR 566 Cb -0.14 -0.14 -0.01 0.00 0.38 0.00 0.00 41.96 42.04 3gvk s TYR 566 CO 0.06 -0.36 -0.03 0.08 -1.52 0.00 0.00 175.55 173.77 3gvk s VAL 567 N -2.60 3.47 -0.16 -3.49 1.01 0.92 -4.88 120.40 114.67 3gvk s VAL 567 Ca -0.05 -0.46 -0.28 0.00 0.00 0.00 0.00 61.98 61.19 3gvk s VAL 567 Cb -0.01 -2.58 -0.01 0.00 0.00 0.00 0.00 36.38 33.78 3gvk s VAL 567 CO -0.05 0.42 0.97 -0.60 0.00 0.00 0.00 175.10 175.84 3gvk s ARG 568 N 1.47 4.34 -0.04 2.72 3.52 -1.26 -1.05 118.95 128.65 3gvk s ARG 568 Ca 0.06 1.27 0.04 0.00 -0.13 0.00 0.00 55.73 56.97 3gvk s ARG 568 Cb -0.14 -3.58 -0.00 0.00 -1.56 0.00 0.00 34.95 29.66 3gvk s ARG 568 CO -0.02 -0.41 -0.16 1.03 -0.81 0.00 0.00 175.30 174.92 3gvk s ARG 569 N 2.39 1.67 0.13 5.12 1.81 -0.28 -5.01 118.95 124.77 3gvk s ARG 569 Ca 0.44 -0.57 0.07 0.00 -1.72 0.00 0.00 55.73 53.95 3gvk s ARG 569 Cb -0.17 -1.47 -0.04 0.00 -0.45 0.00 0.00 34.95 32.83 3gvk s ARG 569 CO 0.13 0.24 -0.08 -0.65 -0.68 0.00 0.00 175.30 174.26 3gvk s GLN 570 N 0.03 2.18 0.70 3.54 -0.21 -1.26 -0.72 119.66 123.93 3gvk s GLN 570 Ca -0.03 -1.07 -0.11 0.00 0.02 0.00 0.00 55.36 54.17 3gvk s GLN 570 Cb -0.11 -2.30 0.01 0.00 1.00 0.00 0.00 33.01 31.61 3gvk s GLN 570 CO 0.02 0.49 1.07 0.96 -2.12 0.00 0.00 175.29 175.70 3gvk s ILE 571 N -1.39 3.88 0.28 1.08 -4.36 -0.63 -4.91 121.20 115.15 3gvk s ILE 571 Ca 0.23 0.61 -0.29 0.00 -0.26 0.00 0.00 60.65 60.94 3gvk s ILE 571 Cb -0.10 -3.44 -0.14 0.00 1.25 0.00 0.00 42.46 40.02 3gvk s ILE 571 CO 0.15 -0.80 1.08 -2.65 0.24 0.00 0.00 174.94 172.97 3gvk n PRO 572 N -3.10 1.47 0.29 0.37 -0.02 -1.26 -4.83 135.00 127.91 3gvk n PRO 572 Ca 0.07 0.52 0.14 0.00 -2.02 0.00 0.00 63.50 62.21 3gvk n PRO 572 Cb 0.55 -1.94 0.88 0.00 -0.02 0.00 0.00 33.50 32.97 3gvk n PRO 572 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3gvk h SER 573 N 2.34 0.00 -0.49 2.55 4.64 -1.98 -1.12 113.55 119.49 3gvk h SER 573 Ca -0.41 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 60.99 3gvk h SER 573 Cb 1.33 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.39 3gvk h SER 573 CO 0.63 0.00 0.33 -0.08 -0.87 0.00 0.00 176.83 176.84 3gvk h GLU 574 N 0.00 0.29 -0.03 4.77 4.81 -2.01 -2.89 114.58 119.53 3gvk h GLU 574 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3gvk h GLU 574 Cb 0.03 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.34 3gvk h GLU 574 CO -0.00 0.19 -0.13 0.66 -0.73 0.00 0.00 179.01 179.00 3gvk n TYR 575 N -4.46 0.00 0.08 0.92 4.01 -0.42 -4.45 117.16 112.83 3gvk n TYR 575 Ca 0.07 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.68 3gvk n TYR 575 Cb 0.34 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.24 3gvk n TYR 575 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 3gvk h GLU 576 N 3.96 0.19 -6.98 -0.72 5.08 -1.55 -3.43 114.58 111.12 3gvk h GLU 576 Ca 0.00 -0.32 -0.54 0.00 -1.00 0.00 0.00 59.36 57.50 3gvk h GLU 576 Cb 0.91 0.12 0.10 0.00 0.50 0.00 0.00 28.75 30.38 3gvk h GLU 576 CO 0.00 1.12 0.64 -2.14 -1.00 0.00 0.00 179.01 177.63 3gvk s PRO 577 N -2.66 3.71 -1.60 2.33 0.02 -1.26 -3.21 135.00 132.34 3gvk s PRO 577 Ca -0.04 2.25 -0.04 0.00 0.02 0.00 0.00 61.00 63.20 3gvk s PRO 577 Cb 0.08 -2.62 0.01 0.00 0.02 0.00 0.00 34.50 31.99 3gvk s PRO 577 CO 0.86 -0.73 0.51 -0.25 -0.33 0.00 0.00 177.00 177.05 3gvk n ASP 578 N -0.22 -6.07 -4.06 2.53 8.00 -1.26 -4.97 116.55 110.50 3gvk n ASP 578 Ca 0.05 -0.24 -0.14 0.00 0.71 0.00 0.00 54.79 55.17 3gvk n ASP 578 Cb 0.43 -4.93 -0.12 0.00 -0.02 0.00 0.00 41.12 36.48 3gvk n ASP 578 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gvk s ALA 579 N -3.16 0.62 0.34 2.24 0.00 -1.20 -1.25 121.76 119.35 3gvk s ALA 579 Ca 0.26 -0.72 -0.08 0.00 0.00 0.00 0.00 51.96 51.42 3gvk s ALA 579 Cb -0.11 0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.03 3gvk s ALA 579 CO 0.32 0.02 0.56 -1.54 0.00 0.00 0.00 175.76 175.12 3gvk s SER 580 N -1.40 0.49 -0.96 0.00 1.04 -0.13 -4.89 113.70 107.86 3gvk s SER 580 Ca -0.08 -1.29 -0.12 0.00 0.48 0.00 0.00 55.95 54.94 3gvk s SER 580 Cb -0.09 0.70 0.02 0.00 0.10 0.00 0.00 66.02 66.75 3gvk s SER 580 CO 0.00 -1.38 0.63 -0.62 0.98 0.00 0.00 173.24 172.86 3gvk n GLU 581 N -0.52 -1.09 -2.28 4.02 1.02 -1.26 -1.19 120.64 119.33 3gvk n GLU 581 Ca -0.02 0.51 -0.41 0.00 -0.02 0.00 0.00 57.16 57.22 3gvk n GLU 581 Cb 0.61 -2.29 -0.03 0.00 -0.02 0.00 0.00 31.44 29.71 3gvk n GLU 581 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3gvk s PRO 582 N -5.84 4.44 -0.06 3.49 0.04 -1.26 -4.07 135.00 131.74 3gvk s PRO 582 Ca 0.17 1.99 -0.18 0.00 0.04 0.00 0.00 61.00 63.02 3gvk s PRO 582 Cb -0.09 -3.19 -0.05 0.00 0.04 0.00 0.00 34.50 31.21 3gvk s PRO 582 CO 0.93 -0.14 0.50 0.00 0.04 0.00 0.00 177.00 178.33 3gvk s ILE 584 N 0.10 0.95 0.06 0.00 -4.36 -1.26 -1.34 121.20 115.34 3gvk s ILE 584 Ca 0.27 -0.48 -0.05 0.00 -0.26 0.00 0.00 60.65 60.13 3gvk s ILE 584 Cb -0.16 -0.81 -0.02 0.00 1.25 0.00 0.00 42.46 42.72 3gvk s ILE 584 CO 0.13 0.28 0.09 -0.54 0.24 0.00 0.00 174.94 175.14 3gvk s LYS 585 N -0.05 0.68 -0.12 0.37 -0.14 -0.77 -4.06 119.74 115.64 3gvk s LYS 585 Ca 0.00 -0.95 -0.00 0.00 -1.36 0.00 0.00 55.97 53.66 3gvk s LYS 585 Cb -0.07 0.26 0.02 0.00 -1.68 0.00 0.00 37.83 36.36 3gvk s LYS 585 CO 0.00 -0.18 -0.09 -0.47 -0.76 0.00 0.00 175.35 173.86 3gvk s TYR 586 N -3.39 1.61 -0.06 3.18 5.04 -1.26 -0.67 117.35 121.80 3gvk s TYR 586 Ca 0.02 -0.83 -0.00 0.00 -2.44 0.00 0.00 57.07 53.81 3gvk s TYR 586 Cb 0.03 -1.30 0.03 0.00 0.35 0.00 0.00 41.96 41.07 3gvk s TYR 586 CO -0.08 -0.54 -0.01 0.71 -1.34 0.00 0.00 175.55 174.29 3gvk s TYR 587 N 1.67 0.59 -1.35 4.97 2.02 -0.04 -4.92 117.35 120.29 3gvk s TYR 587 Ca 0.05 -0.13 -0.05 0.00 -0.37 0.00 0.00 57.07 56.58 3gvk s TYR 587 Cb -0.13 -0.68 -0.00 0.00 -0.40 0.00 0.00 41.96 40.75 3gvk s TYR 587 CO -0.09 -0.25 0.50 -0.25 -1.57 0.00 0.00 175.55 173.89 3gvk n ASP 588 N 4.71 -1.31 0.00 2.29 8.00 -1.26 -1.14 116.55 127.84 3gvk n ASP 588 Ca -0.15 -1.01 0.00 0.00 0.71 0.00 0.00 54.79 54.34 3gvk n ASP 588 Cb 0.50 -3.09 0.00 0.00 -0.02 0.00 0.00 41.12 38.52 3gvk n ASP 588 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gvk n GLY 589 N -1.93 0.68 3.25 0.44 0.00 -1.26 -5.01 105.19 101.36 3gvk n GLY 589 Ca -0.27 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 3gvk n GLY 589 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gvk s VAL 590 N -2.84 2.38 -0.27 1.61 1.01 -0.29 -4.51 120.40 117.49 3gvk s VAL 590 Ca 0.00 -0.89 -0.12 0.00 0.00 0.00 0.00 61.98 60.97 3gvk s VAL 590 Cb 0.00 -1.96 -0.05 0.00 0.00 0.00 0.00 36.38 34.37 3gvk s VAL 590 CO 0.00 0.54 0.26 -0.22 0.00 0.00 0.00 175.10 175.68 3gvk s LEU 591 N 0.55 4.05 -0.09 3.92 0.20 0.24 -0.86 118.68 126.68 3gvk s LEU 591 Ca -0.12 0.13 -0.02 0.00 0.69 0.00 0.00 54.13 54.81 3gvk s LEU 591 Cb -0.16 -2.24 -0.03 0.00 -0.43 0.00 0.00 46.19 43.32 3gvk s LEU 591 CO 0.04 -0.08 0.02 -0.31 -0.29 0.00 0.00 176.35 175.73 3gvk s TYR 592 N 1.74 3.22 -0.02 5.38 2.02 0.16 -0.88 117.35 128.96 3gvk s TYR 592 Ca 0.10 0.23 -0.00 0.00 -0.37 0.00 0.00 57.07 57.04 3gvk s TYR 592 Cb -0.16 -1.80 0.03 0.00 -0.40 0.00 0.00 41.96 39.63 3gvk s TYR 592 CO 0.10 0.50 0.03 -1.17 -1.57 0.00 0.00 175.55 173.44 3gvk s LEU 593 N -0.93 1.01 -0.09 -1.29 0.20 0.09 -1.85 118.68 115.82 3gvk s LEU 593 Ca 0.14 0.03 0.02 0.00 0.69 0.00 0.00 54.13 55.01 3gvk s LEU 593 Cb -0.11 -0.11 0.01 0.00 -0.43 0.00 0.00 46.19 45.54 3gvk s LEU 593 CO 0.03 -0.13 -0.16 -0.63 -0.29 0.00 0.00 176.35 175.16 3gvk s ILE 594 N 1.17 1.50 0.40 6.68 1.01 -0.45 -0.41 121.20 131.10 3gvk s ILE 594 Ca -0.08 -0.67 -0.03 0.00 0.00 0.00 0.00 60.65 59.87 3gvk s ILE 594 Cb -0.13 -1.35 -0.04 0.00 0.01 0.00 0.00 42.46 40.95 3gvk s ILE 594 CO -0.03 0.44 0.67 0.42 0.00 0.00 0.00 174.94 176.44 3gvk s THR 595 N 0.71 4.99 -0.07 2.92 -4.23 -0.69 -0.87 115.64 118.41 3gvk s THR 595 Ca -0.13 -0.06 -0.11 0.00 -1.18 0.00 0.00 61.69 60.22 3gvk s THR 595 Cb -0.16 -3.84 -0.05 0.00 1.34 0.00 0.00 72.50 69.79 3gvk s THR 595 CO 0.03 -0.67 0.28 -0.60 -0.54 0.00 0.00 174.62 173.13 3gvk s ARG 596 N -4.41 3.77 0.05 3.99 3.52 -0.33 -4.18 118.95 121.36 3gvk s ARG 596 Ca 0.44 0.15 -0.20 0.00 -0.13 0.00 0.00 55.73 55.99 3gvk s ARG 596 Cb -0.10 -3.23 -0.06 0.00 -1.56 0.00 0.00 34.95 29.99 3gvk s ARG 596 CO 0.39 0.67 0.59 0.20 -0.81 0.00 0.00 175.30 176.34 3gvk s GLY 597 N -0.86 2.66 0.24 8.12 0.00 -1.22 -0.96 107.32 115.30 3gvk s GLY 597 Ca 0.19 0.05 0.13 0.00 0.00 0.00 0.00 44.72 45.09 3gvk s GLY 597 CO 0.08 0.60 1.45 -0.91 0.00 0.00 0.00 173.10 174.33 3gvk h THR 598 N 3.76 1.20 -2.53 0.90 1.35 -1.48 0.17 112.91 116.27 3gvk h THR 598 Ca -0.48 -2.49 -0.09 0.00 -0.55 0.00 0.00 66.41 62.80 3gvk h THR 598 Cb 1.21 2.46 -0.19 0.00 -1.73 0.00 0.00 68.15 69.90 3gvk h THR 598 CO 0.66 0.64 -0.04 0.00 -0.25 0.00 0.00 175.52 176.54 3gvk s ARG 599 N -3.04 0.88 0.11 4.72 1.70 -1.26 -4.66 118.95 117.40 3gvk s ARG 599 Ca 0.02 0.01 0.26 0.00 -0.47 0.00 0.00 55.73 55.55 3gvk s ARG 599 Cb 0.09 0.40 0.98 0.00 -0.57 0.00 0.00 34.95 35.85 3gvk s ARG 599 CO 0.76 -0.27 1.79 0.41 -1.08 0.00 0.00 175.30 176.92 3gvk n GLY 600 N 1.04 -1.49 1.10 3.88 0.00 -1.26 -3.14 105.19 105.31 3gvk n GLY 600 Ca -0.20 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 45.89 3gvk n GLY 600 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gvk n ASP 601 N -1.87 3.24 -4.11 1.61 5.75 -1.26 -1.87 116.55 118.04 3gvk n ASP 601 Ca 0.05 -1.96 -0.11 0.00 -0.01 0.00 0.00 54.79 52.76 3gvk n ASP 601 Cb 0.34 -0.31 -0.11 0.00 -1.03 0.00 0.00 41.12 40.01 3gvk n ASP 601 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3gvk s ARG 602 N -1.38 0.68 0.12 0.11 0.52 -1.19 -5.03 118.95 112.79 3gvk s ARG 602 Ca 0.40 -1.09 -0.35 0.00 -0.52 0.00 0.00 55.73 54.16 3gvk s ARG 602 Cb 0.22 -0.17 -0.16 0.00 0.52 0.00 0.00 34.95 35.37 3gvk s ARG 602 CO 0.30 -0.01 1.37 1.28 0.02 0.00 0.00 175.30 178.26 3gvk n LEU 603 N 0.56 2.01 0.00 2.53 4.77 -1.26 -4.64 117.00 120.98 3gvk n LEU 603 Ca -0.17 1.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.93 3gvk n LEU 603 Cb 0.58 -1.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.42 3gvk n LEU 603 CO 0.26 -0.89 0.00 0.61 -1.33 0.00 0.00 177.39 176.04 3gvk n GLY 604 N 2.63 3.47 3.53 -0.72 0.00 -1.26 -4.85 105.19 107.98 3gvk n GLY 604 Ca 0.17 -1.48 -0.54 0.00 0.00 0.00 0.00 46.02 44.18 3gvk n GLY 604 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gvk n SER 605 N 0.00 0.58 -4.18 1.61 7.64 -0.62 -4.77 113.62 113.88 3gvk n SER 605 Ca 0.00 1.14 -0.14 0.00 1.01 0.00 0.00 58.87 60.88 3gvk n SER 605 Cb 0.00 -1.06 -0.11 0.00 -1.01 0.00 0.00 64.21 62.03 3gvk n SER 605 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3gvk s SER 606 N 0.01 1.43 -0.03 6.43 1.04 -1.26 -2.06 113.70 119.26 3gvk s SER 606 Ca 0.82 -0.82 0.05 0.00 0.48 0.00 0.00 55.95 56.48 3gvk s SER 606 Cb -1.05 0.01 -0.03 0.00 0.10 0.00 0.00 66.02 65.05 3gvk s SER 606 CO 0.53 -0.27 -0.17 -0.22 0.98 0.00 0.00 173.24 174.08 3gvk s LEU 607 N -2.47 2.56 0.01 2.42 2.96 0.10 -1.71 118.68 122.55 3gvk s LEU 607 Ca 0.06 -0.29 0.01 0.00 -0.22 0.00 0.00 54.13 53.68 3gvk s LEU 607 Cb -0.02 -1.50 -0.01 0.00 0.50 0.00 0.00 46.19 45.16 3gvk s LEU 607 CO -0.00 0.32 -0.03 -1.00 -1.32 0.00 0.00 176.35 174.32 3gvk s HIS 608 N -0.74 0.25 0.07 5.38 3.76 0.45 -0.76 115.29 123.71 3gvk s HIS 608 Ca 0.12 -0.18 0.06 0.00 -0.15 0.00 0.00 55.06 54.90 3gvk s HIS 608 Cb -0.10 -0.16 -0.03 0.00 1.11 0.00 0.00 32.58 33.39 3gvk s HIS 608 CO 0.01 -0.05 -0.16 -0.98 -0.85 0.00 0.00 174.74 172.72 3gvk s ARG 609 N -0.49 0.90 -0.06 1.40 1.70 0.12 -0.73 118.95 121.80 3gvk s ARG 609 Ca -0.04 -0.98 -0.05 0.00 -0.47 0.00 0.00 55.73 54.20 3gvk s ARG 609 Cb -0.04 -0.97 0.02 0.00 -0.57 0.00 0.00 34.95 33.39 3gvk s ARG 609 CO -0.00 0.22 0.15 0.45 -1.08 0.00 0.00 175.30 175.03 3gvk s SER 610 N -1.70 -0.15 0.00 -2.89 0.15 -0.06 -1.05 113.70 108.00 3gvk s SER 610 Ca 0.00 0.29 0.18 0.00 0.70 0.00 0.00 55.95 57.12 3gvk s SER 610 Cb -0.10 0.28 0.29 0.00 -1.71 0.00 0.00 66.02 64.78 3gvk s SER 610 CO 0.03 -0.06 1.21 0.54 1.20 0.00 0.00 173.24 176.16 3gvk n ARG 611 N 3.15 2.04 -2.41 5.44 1.74 -1.26 -0.60 116.66 124.77 3gvk n ARG 611 Ca -0.14 -1.91 -0.05 0.00 -0.77 0.00 0.00 57.85 54.97 3gvk n ARG 611 Cb 0.58 -1.38 0.05 0.00 -1.02 0.00 0.00 32.46 30.68 3gvk n ARG 611 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3gvk n ASP 612 N 1.07 2.30 -4.02 0.55 5.68 -1.26 -4.95 116.55 115.92 3gvk n ASP 612 Ca 0.14 -2.50 -0.31 0.00 -0.50 0.00 0.00 54.79 51.61 3gvk n ASP 612 Cb 0.49 -0.43 0.00 0.00 -1.14 0.00 0.00 41.12 40.04 3gvk n ASP 612 CO 0.00 0.00 0.00 -0.38 -1.33 0.00 0.00 177.20 175.49 3gvk n ILE 613 N -0.53 -1.97 -0.17 2.12 5.41 -1.26 -2.95 119.36 120.01 3gvk n ILE 613 Ca 0.16 -0.10 0.00 0.00 1.00 0.00 0.00 62.75 63.81 3gvk n ILE 613 Cb 0.87 -2.46 0.00 0.00 -0.71 0.00 0.00 39.64 37.35 3gvk n ILE 613 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3gvk n GLY 614 N -1.61 0.78 0.15 7.39 0.00 -1.26 -4.95 105.19 105.69 3gvk n GLY 614 Ca -0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.85 3gvk n GLY 614 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3gvk h GLN 615 N 3.94 0.45 -5.65 1.61 4.20 -1.88 -3.39 115.11 114.39 3gvk h GLN 615 Ca 0.00 -0.36 -0.46 0.00 0.06 0.00 0.00 58.65 57.88 3gvk h GLN 615 Cb 0.00 0.08 -0.18 0.00 0.30 0.00 0.00 27.48 27.67 3gvk h GLN 615 CO 0.00 1.00 -0.77 0.95 -0.67 0.00 0.00 178.83 179.34 3gvk s THR 616 N -3.66 1.54 0.02 -0.54 -4.23 -1.26 -5.02 115.64 102.48 3gvk s THR 616 Ca -0.13 -1.79 0.01 0.00 -1.18 0.00 0.00 61.69 58.59 3gvk s THR 616 Cb 0.05 -1.66 -0.01 0.00 1.34 0.00 0.00 72.50 72.21 3gvk s THR 616 CO 0.81 -0.37 -0.04 0.26 -0.54 0.00 0.00 174.62 174.74 3gvk s TRP 617 N -2.08 0.39 -0.09 3.99 0.52 -1.26 -4.41 118.94 116.00 3gvk s TRP 617 Ca 0.12 -0.34 -0.02 0.00 0.02 0.00 0.00 56.10 55.87 3gvk s TRP 617 Cb -0.05 -0.25 -0.03 0.00 -1.15 0.00 0.00 33.47 31.99 3gvk s TRP 617 CO 0.04 -0.09 -0.00 -1.21 0.02 0.00 0.00 176.95 175.71 3gvk s GLU 618 N -0.99 3.02 0.09 4.98 2.02 -0.22 -4.96 118.70 122.65 3gvk s GLU 618 Ca -0.08 -0.42 0.03 0.00 0.02 0.00 0.00 54.97 54.52 3gvk s GLU 618 Cb -0.07 -2.80 -0.04 0.00 0.10 0.00 0.00 34.13 31.33 3gvk s GLU 618 CO -0.00 0.67 -0.09 -1.12 0.02 0.00 0.00 175.26 174.74 3gvk s SER 619 N -0.80 1.29 -0.02 -0.19 0.01 -1.26 -0.70 113.70 112.03 3gvk s SER 619 Ca 0.12 -0.81 -0.19 0.00 1.31 0.00 0.00 55.95 56.39 3gvk s SER 619 Cb -0.11 0.03 0.03 0.00 0.21 0.00 0.00 66.02 66.18 3gvk s SER 619 CO 0.02 -0.29 0.40 -1.48 0.41 0.00 0.00 173.24 172.30 3gvk s LEU 620 N -2.42 0.47 -0.10 2.44 0.05 0.06 -5.00 118.68 114.18 3gvk s LEU 620 Ca 0.04 0.24 -0.02 0.00 0.05 0.00 0.00 54.13 54.44 3gvk s LEU 620 Cb -0.02 1.60 -0.03 0.00 -2.05 0.00 0.00 46.19 45.68 3gvk s LEU 620 CO -0.01 -0.50 -0.02 -0.60 -0.55 0.00 0.00 176.35 174.68 3gvk s ARG 621 N -1.34 3.15 0.27 1.48 3.52 -1.26 0.03 118.95 124.79 3gvk s ARG 621 Ca -0.13 -0.45 -0.29 0.00 -0.13 0.00 0.00 55.73 54.73 3gvk s ARG 621 Cb -0.04 -2.81 -0.10 0.00 -1.56 0.00 0.00 34.95 30.45 3gvk s ARG 621 CO 0.05 0.57 1.26 -0.06 -0.81 0.00 0.00 175.30 176.32 3gvk s PHE 622 N -0.53 3.25 0.74 5.12 0.08 -0.87 -4.78 117.98 120.98 3gvk s PHE 622 Ca 0.09 1.40 -0.13 0.00 0.12 0.00 0.00 56.93 58.41 3gvk s PHE 622 Cb -0.12 -3.56 0.04 0.00 -0.57 0.00 0.00 43.02 38.81 3gvk s PHE 622 CO 0.02 -1.58 1.13 -2.14 -0.10 0.00 0.00 175.22 172.56 3gvk s PRO 623 N -1.06 2.25 -0.87 0.24 0.02 -1.26 -4.24 135.00 130.07 3gvk s PRO 623 Ca 0.51 1.45 -0.03 0.00 0.02 0.00 0.00 61.00 62.94 3gvk s PRO 623 Cb -0.37 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.28 3gvk s PRO 623 CO 0.45 -1.69 0.44 0.72 -0.33 0.00 0.00 177.00 176.59 3gvk n HIS 624 N -3.02 -1.27 -3.80 6.54 8.25 -1.26 -4.24 115.22 116.41 3gvk n HIS 624 Ca 0.11 0.38 -0.26 0.00 -0.26 0.00 0.00 57.72 57.69 3gvk n HIS 624 Cb 0.52 -3.10 0.01 0.00 1.12 0.00 0.00 29.99 28.54 3gvk n HIS 624 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3gvk n ASN 625 N -0.81 -2.11 -4.68 0.41 3.02 -1.26 -3.06 115.26 106.78 3gvk n ASN 625 Ca -0.05 -0.96 -0.46 0.00 -0.03 0.00 0.00 54.58 53.08 3gvk n ASN 625 Cb 0.56 -3.41 -0.04 0.00 -0.61 0.00 0.00 39.78 36.28 3gvk n ASN 625 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3gvk n VAL 626 N -4.29 0.38 -3.97 2.41 0.31 -1.26 -4.59 118.33 107.31 3gvk n VAL 626 Ca -0.24 -0.07 -0.09 0.00 -0.01 0.00 0.00 64.34 63.93 3gvk n VAL 626 Cb 0.65 -1.85 -0.08 0.00 -0.91 0.00 0.00 33.84 31.66 3gvk n VAL 626 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 3gvk s HIS 627 N 2.89 0.43 0.00 3.52 -3.43 -1.26 -1.59 115.29 115.84 3gvk s HIS 627 Ca 0.86 -0.81 0.00 0.00 -0.80 0.00 0.00 55.06 54.31 3gvk s HIS 627 Cb -0.63 -0.13 0.00 0.00 -1.43 0.00 0.00 32.58 30.39 3gvk s HIS 627 CO 0.44 -0.65 0.00 0.72 -2.00 0.00 0.00 174.74 173.25 3gvk n HIS 628 N -0.16 0.00 -5.10 0.38 8.25 0.61 -4.85 115.22 114.34 3gvk n HIS 628 Ca -0.09 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.09 3gvk n HIS 628 Cb 0.63 -0.62 -0.16 0.00 1.12 0.00 0.00 29.99 30.96 3gvk n HIS 628 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 3gvk s THR 629 N -2.02 1.75 0.69 1.59 -1.32 -1.26 -4.84 115.64 110.22 3gvk s THR 629 Ca 0.00 -0.95 -0.11 0.00 -1.21 0.00 0.00 61.69 59.42 3gvk s THR 629 Cb 0.00 -1.45 0.00 0.00 -1.51 0.00 0.00 72.50 69.54 3gvk s THR 629 CO 0.00 0.50 1.06 0.42 -2.21 0.00 0.00 174.62 174.38 3gvk s THR 630 N -0.52 4.06 -0.59 5.08 -4.23 -1.26 -4.34 115.64 113.85 3gvk s THR 630 Ca 0.08 0.68 0.06 0.00 -1.18 0.00 0.00 61.69 61.34 3gvk s THR 630 Cb -0.09 -3.43 0.25 0.00 1.34 0.00 0.00 72.50 70.57 3gvk s THR 630 CO -0.01 -0.86 0.70 0.18 -0.54 0.00 0.00 174.62 174.09 3gvk n LEU 631 N -3.06 2.99 -4.75 4.79 4.77 -1.26 -4.53 117.00 115.95 3gvk n LEU 631 Ca 0.07 -5.28 -0.38 0.00 -0.03 0.00 0.00 56.01 50.39 3gvk n LEU 631 Cb 0.54 -0.39 0.03 0.00 -2.33 0.00 0.00 43.42 41.26 3gvk n LEU 631 CO 0.55 2.06 0.94 -2.16 -1.33 0.00 0.00 177.39 177.45 3gvk s PRO 632 N -2.19 3.28 0.20 3.23 0.04 -1.22 -4.68 135.00 133.67 3gvk s PRO 632 Ca 0.39 2.10 -0.15 0.00 0.04 0.00 0.00 61.00 63.38 3gvk s PRO 632 Cb 0.15 -2.27 0.01 0.00 0.04 0.00 0.00 34.50 32.43 3gvk s PRO 632 CO -0.03 -1.03 0.46 -0.59 0.04 0.00 0.00 177.00 175.84 3gvk s PHE 633 N -1.38 0.09 0.07 0.56 -0.12 -1.26 -1.52 117.98 114.42 3gvk s PHE 633 Ca 0.70 -0.44 -0.00 0.00 -0.05 0.00 0.00 56.93 57.13 3gvk s PHE 633 Cb -0.37 0.25 -0.04 0.00 -0.63 0.00 0.00 43.02 42.23 3gvk s PHE 633 CO 0.44 -0.89 -0.03 0.00 -0.05 0.00 0.00 175.22 174.69 3gvk s ALA 634 N -3.92 0.66 -0.25 1.99 0.00 -0.83 -4.83 121.76 114.59 3gvk s ALA 634 Ca 0.13 -1.27 -0.10 0.00 0.00 0.00 0.00 51.96 50.72 3gvk s ALA 634 Cb 0.00 0.31 -0.05 0.00 0.00 0.00 0.00 23.12 23.38 3gvk s ALA 634 CO 0.00 -0.35 0.15 0.21 0.00 0.00 0.00 175.76 175.76 3gvk s LYS 635 N -3.91 3.97 -0.18 0.00 2.20 -1.26 -0.49 119.74 120.06 3gvk s LYS 635 Ca 0.10 -0.32 0.00 0.00 -0.36 0.00 0.00 55.97 55.39 3gvk s LYS 635 Cb 0.07 -3.51 0.04 0.00 -1.51 0.00 0.00 37.83 32.93 3gvk s LYS 635 CO -0.08 -0.01 -0.07 0.08 -0.36 0.00 0.00 175.35 174.91 3gvk s VAL 636 N 1.24 1.34 0.00 4.02 1.01 -0.14 -5.00 120.40 122.86 3gvk s VAL 636 Ca 0.07 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.23 3gvk s VAL 636 Cb -0.14 -1.49 0.00 0.00 0.00 0.00 0.00 36.38 34.75 3gvk s VAL 636 CO 0.06 0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.89 3gvk n GLY 637 N 4.79 3.68 0.48 4.51 0.00 -1.26 -2.10 105.19 115.28 3gvk n GLY 637 Ca -0.13 -0.08 0.14 0.00 0.00 0.00 0.00 46.02 45.95 3gvk n GLY 637 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gvk n ASP 638 N 5.30 1.51 -4.71 1.61 8.00 -1.26 -4.89 116.55 122.10 3gvk n ASP 638 Ca 0.00 -1.48 -0.35 0.00 0.71 0.00 0.00 54.79 53.66 3gvk n ASP 638 Cb 0.00 0.01 -0.09 0.00 -0.02 0.00 0.00 41.12 41.02 3gvk n ASP 638 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3gvk s ASP 639 N -2.02 5.57 -0.01 -2.24 1.01 -0.89 -0.43 116.67 117.65 3gvk s ASP 639 Ca 0.37 0.20 -0.25 0.00 0.71 0.00 0.00 52.55 53.58 3gvk s ASP 639 Cb 0.21 -1.72 -0.04 0.00 1.01 0.00 0.00 42.92 42.38 3gvk s ASP 639 CO 0.34 0.34 0.76 -0.76 0.21 0.00 0.00 175.17 176.06 3gvk s LEU 640 N -0.64 4.38 -0.27 1.23 1.43 0.69 -0.97 118.68 124.53 3gvk s LEU 640 Ca 0.11 1.35 -0.04 0.00 -1.03 0.00 0.00 54.13 54.53 3gvk s LEU 640 Cb -0.12 -3.20 0.02 0.00 0.03 0.00 0.00 46.19 42.92 3gvk s LEU 640 CO 0.02 -0.07 -0.00 -0.63 0.23 0.00 0.00 176.35 175.90 3gvk s ILE 641 N 0.44 3.33 0.08 -0.59 1.01 0.35 -0.84 121.20 124.99 3gvk s ILE 641 Ca 0.40 -0.89 0.10 0.00 0.00 0.00 0.00 60.65 60.26 3gvk s ILE 641 Cb -0.19 -2.70 -0.03 0.00 0.01 0.00 0.00 42.46 39.54 3gvk s ILE 641 CO 0.21 0.15 -0.26 0.00 0.00 0.00 0.00 174.94 175.04 3gvk s MET 642 N 1.40 1.57 0.05 2.79 0.23 -0.34 -1.96 119.30 123.04 3gvk s MET 642 Ca 0.01 -1.21 0.09 0.00 -1.03 0.00 0.00 55.69 53.55 3gvk s MET 642 Cb -0.17 -1.88 -0.03 0.00 -1.53 0.00 0.00 34.83 31.22 3gvk s MET 642 CO -0.02 0.47 -0.24 -0.06 -2.03 0.00 0.00 175.02 173.14 3gvk s PHE 643 N -0.93 2.14 0.08 3.16 0.08 -0.58 -1.14 117.98 120.79 3gvk s PHE 643 Ca 0.12 -0.40 -0.14 0.00 0.12 0.00 0.00 56.93 56.63 3gvk s PHE 643 Cb -0.10 -1.26 0.02 0.00 -0.57 0.00 0.00 43.02 41.11 3gvk s PHE 643 CO 0.04 0.14 0.33 0.20 -0.10 0.00 0.00 175.22 175.83 3gvk s GLY 644 N -1.32 -0.16 -0.02 4.36 0.00 -0.46 -3.39 107.32 106.34 3gvk s GLY 644 Ca 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 44.72 44.75 3gvk s GLY 644 CO 0.02 -0.30 0.02 -0.56 0.00 0.00 0.00 173.10 172.28 3gvk s SER 645 N -2.42 0.14 0.54 1.64 0.01 -1.26 -0.20 113.70 112.14 3gvk s SER 645 Ca -0.01 0.02 -0.20 0.00 1.31 0.00 0.00 55.95 57.07 3gvk s SER 645 Cb 0.01 -0.09 -0.06 0.00 0.21 0.00 0.00 66.02 66.10 3gvk s SER 645 CO -0.07 -0.10 1.15 -1.83 0.41 0.00 0.00 173.24 172.80 3gvk s GLU 646 N 0.84 3.35 0.16 12.44 -1.05 -0.99 -4.56 118.70 128.89 3gvk s GLU 646 Ca -0.07 1.68 0.13 0.00 -0.15 0.00 0.00 54.97 56.55 3gvk s GLU 646 Cb -0.10 -2.05 -0.08 0.00 -0.44 0.00 0.00 34.13 31.45 3gvk s GLU 646 CO -0.02 -0.86 1.19 0.00 0.95 0.00 0.00 175.26 176.52 3gvk h ARG 647 N 1.28 0.00 -3.94 -4.83 2.47 -1.88 -3.42 114.38 104.05 3gvk h ARG 647 Ca -0.50 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.12 3gvk h ARG 647 Cb 1.27 0.00 -0.14 0.00 -1.65 0.00 0.00 29.97 29.45 3gvk h ARG 647 CO 0.57 0.58 -0.42 0.00 0.56 0.00 0.00 179.97 181.26 3gvk s ALA 648 N -2.85 0.04 0.30 0.04 0.00 -1.26 -4.66 121.76 113.36 3gvk s ALA 648 Ca 0.01 -0.85 -0.30 0.00 0.00 0.00 0.00 51.96 50.82 3gvk s ALA 648 Cb 0.08 0.60 -0.12 0.00 0.00 0.00 0.00 23.12 23.69 3gvk s ALA 648 CO 0.79 -0.53 1.59 -1.91 0.00 0.00 0.00 175.76 175.70 3gvk n GLU 649 N -0.09 2.69 -2.32 0.00 2.13 -1.26 -3.20 120.64 118.59 3gvk n GLU 649 Ca -0.12 0.96 -0.12 0.00 0.66 0.00 0.00 57.16 58.54 3gvk n GLU 649 Cb 0.62 -2.73 0.00 0.00 0.27 0.00 0.00 31.44 29.60 3gvk n GLU 649 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3gvk n ASN 650 N 2.09 -3.83 -0.05 4.31 3.02 -1.26 -4.78 115.26 114.77 3gvk n ASN 650 Ca 0.08 -0.04 0.08 0.00 -0.03 0.00 0.00 54.58 54.67 3gvk n ASN 650 Cb 0.37 -2.98 -0.09 0.00 -0.61 0.00 0.00 39.78 36.47 3gvk n ASN 650 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3gvk n GLU 651 N -2.22 1.21 -0.09 3.52 1.02 -1.19 -4.69 120.64 118.20 3gvk n GLU 651 Ca -0.12 -0.10 -0.10 0.00 -0.02 0.00 0.00 57.16 56.82 3gvk n GLU 651 Cb 0.60 -1.33 -0.03 0.00 -0.02 0.00 0.00 31.44 30.65 3gvk n GLU 651 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 3gvk h TRP 652 N 0.22 0.45 -4.10 -0.32 2.91 -1.91 -3.44 115.95 109.75 3gvk h TRP 652 Ca 0.00 -0.05 -0.52 0.00 1.13 0.00 0.00 58.89 59.44 3gvk h TRP 652 Cb 0.44 -0.13 0.11 0.00 -0.51 0.00 0.00 29.16 29.07 3gvk h TRP 652 CO 0.00 0.50 0.46 -1.21 -1.03 0.00 0.00 178.44 177.16 3gvk s GLU 653 N -5.31 3.01 0.25 2.65 8.01 -1.26 -4.57 118.70 121.48 3gvk s GLU 653 Ca -0.14 1.78 -0.31 0.00 0.01 0.00 0.00 54.97 56.31 3gvk s GLU 653 Cb 0.08 -1.94 -0.13 0.00 -4.31 0.00 0.00 34.13 27.83 3gvk s GLU 653 CO 0.73 -1.16 1.52 0.00 0.01 0.00 0.00 175.26 176.36 3gvk n ALA 654 N -1.60 1.86 -0.57 5.21 0.00 -1.17 -2.07 120.51 122.17 3gvk n ALA 654 Ca 0.13 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.97 3gvk n ALA 654 Cb 0.50 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.57 3gvk n ALA 654 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gvk n GLY 655 N 2.40 1.81 3.69 0.00 0.00 -0.78 -5.00 105.19 107.32 3gvk n GLY 655 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3gvk n GLY 655 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gvk s ALA 656 N -3.53 3.51 0.69 4.61 0.00 -0.88 -5.00 121.76 121.16 3gvk s ALA 656 Ca 0.00 0.77 -0.12 0.00 0.00 0.00 0.00 51.96 52.61 3gvk s ALA 656 Cb 0.00 -3.53 0.01 0.00 0.00 0.00 0.00 23.12 19.60 3gvk s ALA 656 CO 0.00 -0.75 1.08 -1.25 0.00 0.00 0.00 175.76 174.83 3gvk s PRO 657 N 2.04 2.81 0.28 0.00 0.04 -1.26 -4.85 135.00 134.06 3gvk s PRO 657 Ca 0.59 1.13 -0.30 0.00 0.04 0.00 0.00 61.00 62.47 3gvk s PRO 657 Cb -0.28 -1.97 -0.11 0.00 0.04 0.00 0.00 34.50 32.18 3gvk s PRO 657 CO 0.25 -1.21 1.48 -0.51 0.04 0.00 0.00 177.00 177.05 3gvk s ASP 658 N -3.29 6.55 -0.54 6.66 1.11 -1.26 -4.69 116.67 121.21 3gvk s ASP 658 Ca 0.61 2.79 0.04 0.00 0.18 0.00 0.00 52.55 56.17 3gvk s ASP 658 Cb -0.16 -2.63 0.15 0.00 1.07 0.00 0.00 42.92 41.34 3gvk s ASP 658 CO 0.49 -0.76 0.33 -0.62 1.18 0.00 0.00 175.17 175.79 3gvk s ASP 659 N 0.27 4.03 0.50 0.27 -1.08 -1.26 -5.09 116.67 114.31 3gvk s ASP 659 Ca 0.59 -3.15 0.04 0.00 -0.52 0.00 0.00 52.55 49.50 3gvk s ASP 659 Cb -0.44 -1.36 -0.00 0.00 -1.46 0.00 0.00 42.92 39.66 3gvk s ASP 659 CO 0.47 -0.19 0.15 -0.13 0.52 0.00 0.00 175.17 175.99 3gvk s ARG 660 N -0.42 2.21 -1.24 4.34 1.81 -1.26 -4.70 118.95 119.69 3gvk s ARG 660 Ca 0.21 -2.20 0.00 0.00 -1.72 0.00 0.00 55.73 52.02 3gvk s ARG 660 Cb -0.17 -1.77 0.00 0.00 -0.45 0.00 0.00 34.95 32.56 3gvk s ARG 660 CO -0.06 -0.40 0.00 0.66 -0.68 0.00 0.00 175.30 174.82 3gvk n TYR 661 N -1.41 0.00 -3.72 -0.53 4.01 -1.25 -4.99 117.16 109.27 3gvk n TYR 661 Ca -0.11 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.50 3gvk n TYR 661 Cb 0.66 -2.24 -0.09 0.00 -0.31 0.00 0.00 39.34 37.35 3gvk n TYR 661 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 3gvk s LYS 662 N -2.91 0.57 0.33 -0.72 -2.85 -1.25 -4.87 119.74 108.05 3gvk s LYS 662 Ca 0.00 0.38 -0.29 0.00 -1.00 0.00 0.00 55.97 55.06 3gvk s LYS 662 Cb 0.00 0.27 -0.11 0.00 -2.06 0.00 0.00 37.83 35.93 3gvk s LYS 662 CO 0.00 -0.11 1.50 0.00 0.10 0.00 0.00 175.35 176.85 3gvk s ALA 663 N -0.24 3.63 0.34 0.59 0.00 -1.22 -4.44 121.76 120.42 3gvk s ALA 663 Ca -0.04 1.52 -0.10 0.00 0.00 0.00 0.00 51.96 53.34 3gvk s ALA 663 Cb -0.03 -3.61 0.02 0.00 0.00 0.00 0.00 23.12 19.50 3gvk s ALA 663 CO 0.02 -0.96 0.59 -1.54 0.00 0.00 0.00 175.76 173.87 3gvk s SER 664 N 0.10 0.37 -0.64 0.00 1.04 -0.76 -5.01 113.70 108.80 3gvk s SER 664 Ca 0.57 -1.22 0.04 0.00 0.48 0.00 0.00 55.95 55.81 3gvk s SER 664 Cb -0.46 0.71 0.16 0.00 0.10 0.00 0.00 66.02 66.53 3gvk s SER 664 CO 0.55 -1.40 0.42 -0.31 0.98 0.00 0.00 173.24 173.48 3gvk s TYR 665 N -3.04 3.44 0.37 5.02 2.02 -1.26 -1.09 117.35 122.81 3gvk s TYR 665 Ca 0.23 -3.23 -0.28 0.00 -0.37 0.00 0.00 57.07 53.42 3gvk s TYR 665 Cb -0.02 -2.82 -0.11 0.00 -0.40 0.00 0.00 41.96 38.61 3gvk s TYR 665 CO 0.15 -0.65 1.45 -1.25 -1.57 0.00 0.00 175.55 173.68 3gvk s PRO 666 N -0.94 4.16 0.06 -1.71 0.04 -1.10 -4.58 135.00 130.93 3gvk s PRO 666 Ca 0.22 2.50 -0.25 0.00 0.04 0.00 0.00 61.00 63.51 3gvk s PRO 666 Cb -0.14 -2.99 -0.06 0.00 0.04 0.00 0.00 34.50 31.35 3gvk s PRO 666 CO -0.09 -0.46 0.75 1.03 0.04 0.00 0.00 177.00 178.27 3gvk s ARG 667 N -2.01 4.48 -0.14 4.56 0.52 -1.26 -0.93 118.95 124.17 3gvk s ARG 667 Ca 0.52 1.05 -0.05 0.00 -0.52 0.00 0.00 55.73 56.73 3gvk s ARG 667 Cb -0.45 -3.34 -0.03 0.00 0.52 0.00 0.00 34.95 31.64 3gvk s ARG 667 CO 0.61 0.34 0.02 0.99 0.02 0.00 0.00 175.30 177.28 3gvk s THR 668 N -0.25 4.42 0.26 0.02 2.01 -0.11 -2.36 115.64 119.64 3gvk s THR 668 Ca 0.37 -0.18 0.12 0.00 0.31 0.00 0.00 61.69 62.31 3gvk s THR 668 Cb -0.21 -2.93 -0.05 0.00 0.01 0.00 0.00 72.50 69.32 3gvk s THR 668 CO 0.23 0.52 -0.21 -0.36 -0.69 0.00 0.00 174.62 174.11 3gvk s PHE 669 N -0.09 2.28 0.11 4.92 0.08 0.72 -1.66 117.98 124.35 3gvk s PHE 669 Ca 0.05 -0.34 0.03 0.00 0.12 0.00 0.00 56.93 56.78 3gvk s PHE 669 Cb -0.13 -1.02 -0.04 0.00 -0.57 0.00 0.00 43.02 41.26 3gvk s PHE 669 CO 0.02 0.67 -0.08 1.52 -0.10 0.00 0.00 175.22 177.24 3gvk s TYR 670 N -2.33 1.02 0.01 0.36 -0.85 -0.51 -1.36 117.35 113.68 3gvk s TYR 670 Ca 0.28 -0.81 -0.14 0.00 -0.52 0.00 0.00 57.07 55.87 3gvk s TYR 670 Cb -0.06 -0.56 0.02 0.00 0.38 0.00 0.00 41.96 41.75 3gvk s TYR 670 CO 0.14 -0.05 0.31 0.00 -1.52 0.00 0.00 175.55 174.42 3gvk s ALA 671 N -3.28 -0.75 -0.01 9.51 0.00 -0.29 -0.40 121.76 126.53 3gvk s ALA 671 Ca 0.12 0.20 -0.00 0.00 0.00 0.00 0.00 51.96 52.28 3gvk s ALA 671 Cb 0.03 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.28 3gvk s ALA 671 CO -0.02 -0.32 0.05 1.03 0.00 0.00 0.00 175.76 176.50 3gvk s ARG 672 N -1.80 2.99 -0.09 0.00 0.52 -1.26 -1.19 118.95 118.11 3gvk s ARG 672 Ca -0.10 -0.50 -0.02 0.00 -0.52 0.00 0.00 55.73 54.59 3gvk s ARG 672 Cb -0.03 -2.81 0.03 0.00 0.52 0.00 0.00 34.95 32.66 3gvk s ARG 672 CO 0.01 0.65 0.01 -1.17 0.02 0.00 0.00 175.30 174.82 3gvk s LEU 673 N -1.58 0.66 -0.12 2.53 0.20 -0.02 -4.69 118.68 115.66 3gvk s LEU 673 Ca 0.21 -0.19 -0.30 0.00 0.69 0.00 0.00 54.13 54.55 3gvk s LEU 673 Cb -0.12 -0.46 -0.02 0.00 -0.43 0.00 0.00 46.19 45.16 3gvk s LEU 673 CO 0.11 -0.21 1.29 0.21 -0.29 0.00 0.00 176.35 177.46 3gvk s ASN 674 N 1.96 6.94 0.34 3.68 3.84 -1.26 -0.22 114.94 130.22 3gvk s ASN 674 Ca 0.04 1.79 0.16 0.00 0.21 0.00 0.00 52.86 55.06 3gvk s ASN 674 Cb -0.13 -2.54 0.57 0.00 -0.55 0.00 0.00 41.25 38.59 3gvk s ASN 674 CO -0.06 -0.72 1.69 -0.37 -2.79 0.00 0.00 177.10 174.85 3gvk h VAL 675 N 5.33 1.09 -0.35 -5.21 -1.51 -1.12 -2.05 116.25 112.44 3gvk h VAL 675 Ca -0.30 -1.72 -0.11 0.00 -1.23 0.00 0.00 66.70 63.34 3gvk h VAL 675 Cb 1.13 1.99 -0.01 0.00 -2.13 0.00 0.00 31.29 32.27 3gvk h VAL 675 CO 0.94 0.45 -0.21 0.78 -1.23 0.00 0.00 177.57 178.30 3gvk h ASN 676 N 0.00 0.78 0.85 4.19 -0.26 -1.92 -3.21 115.58 116.01 3gvk h ASN 676 Ca -0.00 -0.42 -0.14 0.00 -0.56 0.00 0.00 56.30 55.18 3gvk h ASN 676 Cb 0.96 -0.22 -0.02 0.00 -1.06 0.00 0.00 38.32 37.98 3gvk h ASN 676 CO 0.06 1.04 -0.64 0.78 -1.06 0.00 0.00 177.43 177.60 3gvk h ASN 677 N 0.53 0.00 -6.91 5.81 2.35 -1.92 -3.48 115.58 111.96 3gvk h ASN 677 Ca 0.07 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 55.28 3gvk h ASN 677 Cb 0.76 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.12 3gvk h ASN 677 CO 0.06 0.64 -0.97 1.87 -1.65 0.00 0.00 177.43 177.38 3gvk n TRP 678 N -3.57 -1.43 -3.56 1.19 -0.00 -0.78 -4.96 117.44 104.34 3gvk n TRP 678 Ca -0.00 0.24 -0.03 0.00 -0.00 0.00 0.00 57.50 57.70 3gvk n TRP 678 Cb 0.68 -2.55 -0.06 0.00 -0.00 0.00 0.00 31.31 29.39 3gvk n TRP 678 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 3gvk s ASN 679 N -3.44 -0.81 0.00 5.87 3.84 -1.26 -5.04 114.94 114.11 3gvk s ASN 679 Ca 0.34 1.19 0.22 0.00 0.21 0.00 0.00 52.86 54.83 3gvk s ASN 679 Cb -0.19 1.91 0.41 0.00 -0.55 0.00 0.00 41.25 42.82 3gvk s ASN 679 CO 0.89 -0.24 1.37 0.00 -2.79 0.00 0.00 177.10 176.34 3gvk n ALA 680 N 5.42 2.41 -0.28 1.71 0.00 -1.26 -4.56 120.51 123.95 3gvk n ALA 680 Ca -0.09 -0.99 0.09 0.00 0.00 0.00 0.00 53.44 52.46 3gvk n ALA 680 Cb 0.49 -0.83 0.24 0.00 0.00 0.00 0.00 19.45 19.36 3gvk n ALA 680 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3gvk h ASP 681 N 4.33 0.17 -0.49 0.00 3.32 -1.96 -1.86 116.42 119.93 3gvk h ASP 681 Ca 0.00 0.15 -0.28 0.00 0.02 0.00 0.00 57.03 56.92 3gvk h ASP 681 Cb 0.97 0.17 -0.17 0.00 0.22 0.00 0.00 39.33 40.51 3gvk h ASP 681 CO 0.00 -0.02 -0.02 0.47 -1.72 0.00 0.00 179.24 177.95 3gvk n ASP 682 N -5.10 3.15 -4.78 6.45 8.00 -1.26 -4.89 116.55 118.12 3gvk n ASP 682 Ca 0.18 -3.78 -0.41 0.00 0.71 0.00 0.00 54.79 51.49 3gvk n ASP 682 Cb 0.56 -0.65 -0.00 0.00 -0.02 0.00 0.00 41.12 41.00 3gvk n ASP 682 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3gvk s ILE 683 N -3.50 2.05 -0.37 0.53 2.07 -0.70 -4.99 121.20 116.30 3gvk s ILE 683 Ca 0.48 0.05 -0.02 0.00 -1.41 0.00 0.00 60.65 59.75 3gvk s ILE 683 Cb 0.42 -3.03 0.09 0.00 0.13 0.00 0.00 42.46 40.07 3gvk s ILE 683 CO 0.01 0.01 0.12 -1.61 -1.91 0.00 0.00 174.94 171.56 3gvk s GLU 684 N -1.97 2.08 -0.34 3.50 2.02 -1.26 -5.07 118.70 117.67 3gvk s GLU 684 Ca 0.54 -1.64 -0.28 0.00 0.02 0.00 0.00 54.97 53.60 3gvk s GLU 684 Cb -0.47 -3.41 0.02 0.00 0.10 0.00 0.00 34.13 30.37 3gvk s GLU 684 CO 0.62 -0.91 1.02 -1.58 0.02 0.00 0.00 175.26 174.43 3gvk s TRP 685 N 1.15 3.12 -0.30 1.61 0.52 -1.26 -4.43 118.94 119.36 3gvk s TRP 685 Ca 0.04 1.05 -0.09 0.00 0.02 0.00 0.00 56.10 57.13 3gvk s TRP 685 Cb -0.21 -3.68 -0.01 0.00 -1.15 0.00 0.00 33.47 28.42 3gvk s TRP 685 CO -0.04 -0.79 0.13 0.08 0.02 0.00 0.00 176.95 176.36 3gvk s VAL 686 N 3.59 4.43 -0.32 4.03 1.01 0.46 -1.17 120.40 132.43 3gvk s VAL 686 Ca 0.43 -0.45 -0.29 0.00 0.00 0.00 0.00 61.98 61.67 3gvk s VAL 686 Cb -0.12 -3.24 -0.00 0.00 0.00 0.00 0.00 36.38 33.02 3gvk s VAL 686 CO 0.17 0.10 1.43 0.21 0.00 0.00 0.00 175.10 177.01 3gvk s ASN 687 N 1.59 6.46 -0.01 3.32 2.47 0.15 -1.43 114.94 127.50 3gvk s ASN 687 Ca 0.04 1.19 0.08 0.00 0.42 0.00 0.00 52.86 54.59 3gvk s ASN 687 Cb -0.17 -2.54 -0.12 0.00 -1.45 0.00 0.00 41.25 36.97 3gvk s ASN 687 CO 0.05 -1.26 0.17 2.30 -3.72 0.00 0.00 177.10 174.64 3gvk n ILE 688 N 6.58 0.02 -3.59 -5.21 -5.35 -0.67 -1.74 119.36 109.40 3gvk n ILE 688 Ca 0.17 -0.19 -0.16 0.00 -0.27 0.00 0.00 62.75 62.30 3gvk n ILE 688 Cb 0.47 0.27 -0.07 0.00 -1.74 0.00 0.00 39.64 38.57 3gvk n ILE 688 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 3gvk s THR 689 N -2.54 0.02 -0.05 7.28 -1.32 -1.24 -4.98 115.64 112.81 3gvk s THR 689 Ca -0.03 -0.16 0.04 0.00 -1.21 0.00 0.00 61.69 60.33 3gvk s THR 689 Cb 0.05 -0.89 -0.03 0.00 -1.51 0.00 0.00 72.50 70.13 3gvk s THR 689 CO 0.33 -0.09 -0.15 -1.81 -2.21 0.00 0.00 174.62 170.69 3gvk s ASP 690 N -1.31 3.93 0.51 8.08 1.11 -1.26 -0.93 116.67 126.79 3gvk s ASP 690 Ca -0.11 -0.23 0.06 0.00 0.18 0.00 0.00 52.55 52.45 3gvk s ASP 690 Cb -0.02 -0.79 0.06 0.00 1.07 0.00 0.00 42.92 43.24 3gvk s ASP 690 CO 0.07 0.34 0.47 0.00 1.18 0.00 0.00 175.17 177.24 3gvk n GLN 691 N 2.31 0.72 -4.82 8.23 3.00 -0.10 -4.97 117.38 121.75 3gvk n GLN 691 Ca -0.17 -3.06 -0.33 0.00 -0.01 0.00 0.00 57.00 53.43 3gvk n GLN 691 Cb 0.52 0.18 -0.14 0.00 0.00 0.00 0.00 30.24 30.80 3gvk n GLN 691 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 3gvk s ILE 692 N -2.43 3.04 -0.23 5.09 1.01 -1.26 -2.70 121.20 123.72 3gvk s ILE 692 Ca 0.36 -0.68 -0.08 0.00 0.00 0.00 0.00 60.65 60.25 3gvk s ILE 692 Cb -0.03 -2.25 -0.04 0.00 0.01 0.00 0.00 42.46 40.16 3gvk s ILE 692 CO 0.23 0.54 0.08 -0.47 0.00 0.00 0.00 174.94 175.32 3gvk s TYR 693 N 0.04 3.15 -0.03 3.97 5.04 -0.25 -1.58 117.35 127.70 3gvk s TYR 693 Ca -0.05 -0.18 -0.26 0.00 -2.44 0.00 0.00 57.07 54.15 3gvk s TYR 693 Cb -0.14 -2.20 -0.20 0.00 0.35 0.00 0.00 41.96 39.76 3gvk s TYR 693 CO 0.04 -0.16 1.20 0.37 -1.34 0.00 0.00 175.55 175.67 3gvk h GLN 694 N 7.72 -0.04 0.00 4.97 -0.00 -1.86 -2.02 115.11 123.89 3gvk h GLN 694 Ca -0.37 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.28 3gvk h GLN 694 Cb 1.18 0.01 0.00 0.00 0.00 0.00 0.00 27.48 28.66 3gvk h GLN 694 CO 0.61 0.46 0.00 0.41 0.00 0.00 0.00 178.83 180.31 3gvk n GLY 695 N 0.31 0.59 0.21 2.39 0.00 -1.26 -3.41 105.19 104.02 3gvk n GLY 695 Ca -0.09 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.01 3gvk n GLY 695 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3gvk h GLY 696 N 0.00 0.00 -2.41 -0.02 0.00 -1.93 -3.31 103.07 95.40 3gvk h GLY 696 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.96 3gvk h GLY 696 CO 0.00 0.00 -0.64 -0.26 0.00 0.00 0.00 176.54 175.64 3gvk s ILE 697 N -3.92 0.86 0.28 2.60 -4.36 -1.26 -4.68 121.20 110.72 3gvk s ILE 697 Ca -0.01 -2.01 0.02 0.00 -0.26 0.00 0.00 60.65 58.39 3gvk s ILE 697 Cb 0.12 -2.44 0.06 0.00 1.25 0.00 0.00 42.46 41.45 3gvk s ILE 697 CO 0.66 -0.22 1.71 1.62 0.24 0.00 0.00 174.94 178.95 3gvk h VAL 698 N 2.44 1.27 -4.14 8.37 3.04 -1.98 -3.40 116.25 121.86 3gvk h VAL 698 Ca -0.38 -1.32 -0.50 0.00 -1.01 0.00 0.00 66.70 63.49 3gvk h VAL 698 Cb 1.23 1.40 0.07 0.00 -2.01 0.00 0.00 31.29 31.98 3gvk h VAL 698 CO 0.64 0.42 0.40 0.20 -1.01 0.00 0.00 177.57 178.21 3gvk s ASN 699 N -6.82 5.67 -0.05 3.17 0.01 -1.26 -4.80 114.94 110.86 3gvk s ASN 699 Ca -0.07 2.02 0.04 0.00 -0.71 0.00 0.00 52.86 54.14 3gvk s ASN 699 Cb 0.14 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 39.24 3gvk s ASN 699 CO 0.79 -1.25 -0.15 -0.55 -1.51 0.00 0.00 177.10 174.43 3gvk s SER 700 N -2.21 1.96 0.00 -1.22 0.15 -1.26 -4.88 113.70 106.24 3gvk s SER 700 Ca 0.69 -0.32 0.26 0.00 0.70 0.00 0.00 55.95 57.28 3gvk s SER 700 Cb -0.20 -0.63 0.76 0.00 -1.71 0.00 0.00 66.02 64.23 3gvk s SER 700 CO 0.32 0.11 1.57 0.61 1.20 0.00 0.00 173.24 177.05 3gvk n GLY 701 N 3.33 -0.75 3.72 9.45 0.00 -1.26 -4.94 105.19 114.74 3gvk n GLY 701 Ca -0.19 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 3gvk n GLY 701 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gvk s VAL 702 N -2.58 2.28 0.00 1.61 1.01 -1.26 -4.02 120.40 117.44 3gvk s VAL 702 Ca 0.23 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.41 3gvk s VAL 702 Cb 0.19 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.44 3gvk s VAL 702 CO 0.54 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.27 3gvk n GLY 703 N 3.67 0.55 3.70 4.51 0.00 -0.15 -4.67 105.19 112.79 3gvk n GLY 703 Ca 0.14 -0.90 -0.20 0.00 0.00 0.00 0.00 46.02 45.05 3gvk n GLY 703 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3gvk n VAL 704 N 0.00 -0.65 -0.70 1.61 0.24 -1.26 -1.83 118.33 115.74 3gvk n VAL 704 Ca 0.00 -0.33 0.00 0.00 -2.04 0.00 0.00 64.34 61.97 3gvk n VAL 704 Cb 0.00 -0.66 0.00 0.00 -1.47 0.00 0.00 33.84 31.71 3gvk n VAL 704 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gvk n GLY 705 N -2.04 1.56 3.43 7.63 0.00 -1.26 -1.15 105.19 113.37 3gvk n GLY 705 Ca -0.22 -1.77 -0.16 0.00 0.00 0.00 0.00 46.02 43.88 3gvk n GLY 705 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gvk s SER 706 N -1.00 -0.50 -0.04 1.61 0.15 0.23 -2.96 113.70 111.18 3gvk s SER 706 Ca 0.00 0.43 0.03 0.00 0.70 0.00 0.00 55.95 57.11 3gvk s SER 706 Cb 0.00 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.80 3gvk s SER 706 CO 0.00 -0.62 -0.12 -0.69 1.20 0.00 0.00 173.24 173.01 3gvk s VAL 707 N -1.63 1.05 0.06 4.45 1.01 -1.26 -0.45 120.40 123.64 3gvk s VAL 707 Ca -0.10 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.41 3gvk s VAL 707 Cb -0.01 -0.93 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 3gvk s VAL 707 CO 0.05 0.32 -0.08 0.68 0.00 0.00 0.00 175.10 176.07 3gvk s VAL 708 N 0.23 0.62 -0.14 2.92 -7.23 -0.51 -4.81 120.40 111.49 3gvk s VAL 708 Ca -0.05 -1.41 -0.03 0.00 -1.81 0.00 0.00 61.98 58.68 3gvk s VAL 708 Cb -0.11 -1.03 -0.03 0.00 0.56 0.00 0.00 36.38 35.78 3gvk s VAL 708 CO 0.02 -0.56 -0.06 -0.69 -0.31 0.00 0.00 175.10 173.50 3gvk s VAL 709 N -2.21 3.74 -0.09 1.32 1.01 -1.26 -0.20 120.40 122.70 3gvk s VAL 709 Ca -0.01 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.55 3gvk s VAL 709 Cb -0.04 -2.61 0.02 0.00 0.00 0.00 0.00 36.38 33.74 3gvk s VAL 709 CO -0.01 0.51 -0.09 -0.75 0.00 0.00 0.00 175.10 174.76 3gvk s LYS 710 N 0.20 1.50 5.14 2.72 2.20 -0.60 -4.92 119.74 125.98 3gvk s LYS 710 Ca -0.03 -0.28 0.00 0.00 -0.36 0.00 0.00 55.97 55.30 3gvk s LYS 710 Cb -0.14 -1.46 0.00 0.00 -1.51 0.00 0.00 37.83 34.72 3gvk s LYS 710 CO 0.03 -0.17 0.00 -0.25 -0.36 0.00 0.00 175.35 174.60 3gvk n ASP 711 N 4.55 0.00 -2.04 1.43 8.00 -1.26 -2.03 116.55 125.19 3gvk n ASP 711 Ca -0.16 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.12 3gvk n ASP 711 Cb 0.51 0.00 0.17 0.00 -0.02 0.00 0.00 41.12 41.78 3gvk n ASP 711 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3gvk n ASN 712 N 4.52 3.84 -4.14 -2.24 3.02 -1.26 -4.91 115.26 114.08 3gvk n ASN 712 Ca 0.00 -3.66 -0.23 0.00 -0.03 0.00 0.00 54.58 50.66 3gvk n ASN 712 Cb 0.00 -0.81 -0.15 0.00 -0.61 0.00 0.00 39.78 38.22 3gvk n ASN 712 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3gvk s TYR 713 N -3.34 1.37 0.01 3.10 2.02 -0.86 -0.63 117.35 119.01 3gvk s TYR 713 Ca 0.55 -0.29 0.02 0.00 -0.37 0.00 0.00 57.07 56.98 3gvk s TYR 713 Cb 0.47 -0.86 -0.04 0.00 -0.40 0.00 0.00 41.96 41.14 3gvk s TYR 713 CO 0.08 0.00 -0.00 -1.50 -1.57 0.00 0.00 175.55 172.56 3gvk s ILE 714 N -0.51 4.11 -0.09 2.71 2.07 0.49 -1.56 121.20 128.41 3gvk s ILE 714 Ca 0.05 -0.66 0.01 0.00 -1.41 0.00 0.00 60.65 58.64 3gvk s ILE 714 Cb -0.07 -2.85 0.02 0.00 0.13 0.00 0.00 42.46 39.70 3gvk s ILE 714 CO 0.00 0.34 -0.10 -0.31 -1.91 0.00 0.00 174.94 172.97 3gvk s TYR 715 N -1.11 1.49 -0.35 3.50 2.02 0.72 -0.78 117.35 122.84 3gvk s TYR 715 Ca 0.20 -0.66 -0.07 0.00 -0.37 0.00 0.00 57.07 56.17 3gvk s TYR 715 Cb -0.12 -1.17 0.05 0.00 -0.40 0.00 0.00 41.96 40.32 3gvk s TYR 715 CO 0.11 -0.42 0.12 -0.47 -1.57 0.00 0.00 175.55 173.33 3gvk s TYR 716 N 1.25 3.28 -0.23 2.71 5.04 -0.29 -1.42 117.35 127.68 3gvk s TYR 716 Ca -0.04 -1.48 -0.12 0.00 -2.44 0.00 0.00 57.07 53.00 3gvk s TYR 716 Cb -0.14 -2.39 -0.05 0.00 0.35 0.00 0.00 41.96 39.74 3gvk s TYR 716 CO -0.03 -0.75 0.22 -1.64 -1.34 0.00 0.00 175.55 172.00 3gvk s MET 717 N 1.39 4.08 0.22 4.97 -1.94 0.41 -0.67 119.30 127.77 3gvk s MET 717 Ca -0.01 -0.16 -0.21 0.00 -1.71 0.00 0.00 55.69 53.60 3gvk s MET 717 Cb -0.20 -3.55 0.04 0.00 2.01 0.00 0.00 34.83 33.13 3gvk s MET 717 CO 0.02 0.02 0.63 -0.59 -0.01 0.00 0.00 175.02 175.09 3gvk s PHE 718 N 1.17 -0.29 0.45 -0.03 -0.12 -0.22 -0.60 117.98 118.34 3gvk s PHE 718 Ca 0.10 -0.05 -0.11 0.00 -0.05 0.00 0.00 56.93 56.81 3gvk s PHE 718 Cb -0.14 0.58 -0.06 0.00 -0.63 0.00 0.00 43.02 42.77 3gvk s PHE 718 CO 0.06 -1.03 0.84 0.20 -0.05 0.00 0.00 175.22 175.24 3gvk s GLY 719 N -2.85 1.91 0.01 1.99 0.00 -0.76 0.27 107.32 107.89 3gvk s GLY 719 Ca 0.07 -0.14 -0.25 0.00 0.00 0.00 0.00 44.72 44.40 3gvk s GLY 719 CO -0.02 0.08 0.57 -0.32 0.00 0.00 0.00 173.10 173.41 3gvk s GLY 720 N -3.29 -0.48 0.26 0.20 0.00 0.01 -0.98 107.32 103.04 3gvk s GLY 720 Ca 0.53 0.87 0.03 0.00 0.00 0.00 0.00 44.72 46.15 3gvk s GLY 720 CO 0.34 0.55 0.26 1.18 0.00 0.00 0.00 173.10 175.43 3gvk n GLU 721 N 0.64 1.01 -3.45 2.90 1.02 -0.61 -1.12 120.64 121.03 3gvk n GLU 721 Ca -0.19 -1.57 -0.14 0.00 -0.02 0.00 0.00 57.16 55.25 3gvk n GLU 721 Cb 0.59 0.08 -0.05 0.00 -0.02 0.00 0.00 31.44 32.04 3gvk n GLU 721 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3gvk n ASP 722 N -2.19 0.28 -0.31 1.62 5.68 -1.23 -4.09 116.55 116.31 3gvk n ASP 722 Ca 0.02 -2.37 0.08 0.00 -0.50 0.00 0.00 54.79 52.03 3gvk n ASP 722 Cb 0.29 0.86 0.37 0.00 -1.14 0.00 0.00 41.12 41.50 3gvk n ASP 722 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 3gvk n HIS 723 N -0.48 0.14 -2.77 2.11 8.25 -1.26 -4.11 115.22 117.10 3gvk n HIS 723 Ca 0.01 -0.07 -0.43 0.00 -0.26 0.00 0.00 57.72 56.97 3gvk n HIS 723 Cb 0.38 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.46 3gvk n HIS 723 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3gvk s PHE 724 N -1.86 3.01 0.28 4.41 0.08 -1.26 -5.02 117.98 117.62 3gvk s PHE 724 Ca 0.26 0.71 -0.29 0.00 0.12 0.00 0.00 56.93 57.73 3gvk s PHE 724 Cb 0.13 -3.84 -0.10 0.00 -0.57 0.00 0.00 43.02 38.64 3gvk s PHE 724 CO 0.20 -0.95 1.40 1.21 -0.10 0.00 0.00 175.22 176.98 3gvk s ASN 725 N 2.03 6.68 0.00 1.36 3.84 -1.26 -4.32 114.94 123.27 3gvk s ASN 725 Ca 0.40 2.68 0.29 0.00 0.21 0.00 0.00 52.86 56.44 3gvk s ASN 725 Cb -0.11 -2.63 1.57 0.00 -0.55 0.00 0.00 41.25 39.53 3gvk s ASN 725 CO 0.22 -0.65 2.04 -0.81 -2.79 0.00 0.00 177.10 175.11 3gvk n PRO 726 N 1.78 0.58 -3.42 0.43 -0.04 -1.26 -4.79 135.00 128.28 3gvk n PRO 726 Ca 0.04 0.01 -0.25 0.00 -0.04 0.00 0.00 63.50 63.26 3gvk n PRO 726 Cb 0.41 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.39 3gvk n PRO 726 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3gvk n TRP 727 N -1.19 -2.03 -0.16 0.54 7.02 -1.26 -4.67 117.44 115.68 3gvk n TRP 727 Ca 0.17 0.63 -0.07 0.00 -1.02 0.00 0.00 57.50 57.21 3gvk n TRP 727 Cb 0.19 -3.78 0.02 0.00 -2.42 0.00 0.00 31.31 25.33 3gvk n TRP 727 CO 0.00 0.00 0.00 1.15 -2.02 0.00 0.00 177.69 176.82 3gvk h THR 728 N -1.47 1.09 -3.08 -0.99 2.02 -1.90 0.55 112.91 109.13 3gvk h THR 728 Ca -0.51 -0.22 -0.73 0.00 0.77 0.00 0.00 66.41 65.73 3gvk h THR 728 Cb 1.34 0.41 -0.22 0.00 -1.74 0.00 0.00 68.15 67.94 3gvk h THR 728 CO 0.58 0.11 0.17 -0.31 0.37 0.00 0.00 175.52 176.45 3gvk s TYR 729 N -6.15 3.24 -3.42 3.16 2.02 -1.26 -3.62 117.35 111.32 3gvk s TYR 729 Ca -0.13 -1.33 0.00 0.00 -0.37 0.00 0.00 57.07 55.24 3gvk s TYR 729 Cb 0.12 -3.98 0.00 0.00 -0.40 0.00 0.00 41.96 37.70 3gvk s TYR 729 CO 0.74 -1.21 0.00 0.41 -1.57 0.00 0.00 175.55 173.92 3gvk n GLY 730 N 4.99 0.19 0.19 0.71 0.00 -1.21 -4.96 105.19 105.09 3gvk n GLY 730 Ca 0.01 -1.17 0.11 0.00 0.00 0.00 0.00 46.02 44.97 3gvk n GLY 730 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gvk n ASP 731 N 0.00 0.57 -2.66 1.61 5.68 -1.21 -4.16 116.55 116.37 3gvk n ASP 731 Ca 0.00 -1.44 -0.16 0.00 -0.50 0.00 0.00 54.79 52.69 3gvk n ASP 731 Cb 0.00 -0.03 0.01 0.00 -1.14 0.00 0.00 41.12 39.97 3gvk n ASP 731 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3gvk n ASN 732 N -0.45 2.53 0.26 -1.12 5.15 0.18 -4.85 115.26 116.96 3gvk n ASN 732 Ca 0.17 -3.09 0.10 0.00 -0.60 0.00 0.00 54.58 51.16 3gvk n ASN 732 Cb 0.17 -0.52 0.68 0.00 -0.53 0.00 0.00 39.78 39.58 3gvk n ASN 732 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 3gvk h SER 733 N 2.87 0.00 0.63 1.20 4.64 -1.62 -1.30 113.55 119.97 3gvk h SER 733 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3gvk h SER 733 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 3gvk h SER 733 CO 0.62 0.11 0.00 0.00 -0.87 0.00 0.00 176.83 176.69 3gvk n ALA 734 N -2.38 1.57 -2.08 5.18 0.00 -1.26 -4.90 120.51 116.65 3gvk n ALA 734 Ca -0.02 0.11 -0.16 0.00 0.00 0.00 0.00 53.44 53.37 3gvk n ALA 734 Cb 0.20 -1.38 -0.02 0.00 0.00 0.00 0.00 19.45 18.25 3gvk n ALA 734 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3gvk n LYS 735 N -2.26 -1.21 -1.66 0.00 5.02 -0.49 -4.95 118.16 112.60 3gvk n LYS 735 Ca 0.02 0.84 -0.43 0.00 -2.02 0.00 0.00 58.31 56.72 3gvk n LYS 735 Cb 0.20 -5.16 -0.03 0.00 -0.02 0.00 0.00 35.03 30.02 3gvk n LYS 735 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3gvk s ASP 736 N -2.43 5.95 0.58 4.39 -1.08 -1.26 -4.82 116.67 117.99 3gvk s ASP 736 Ca 0.00 2.22 0.32 0.00 -0.52 0.00 0.00 52.55 54.57 3gvk s ASP 736 Cb 0.00 -2.52 1.77 0.00 -1.46 0.00 0.00 42.92 40.71 3gvk s ASP 736 CO 0.00 -1.52 2.20 -0.65 0.52 0.00 0.00 175.17 175.72 3gvk h PRO 737 N 12.83 0.00 -0.21 4.34 0.11 -1.93 -2.98 132.00 144.16 3gvk h PRO 737 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3gvk h PRO 737 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3gvk h PRO 737 CO 0.95 0.05 0.00 1.19 -0.21 0.00 0.00 178.00 179.98 3gvk n PHE 738 N -3.60 0.27 -3.35 0.65 3.72 -1.26 -3.23 117.46 110.64 3gvk n PHE 738 Ca -0.02 -0.13 -0.38 0.00 -0.05 0.00 0.00 57.45 56.86 3gvk n PHE 738 Cb 0.15 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.63 3gvk n PHE 738 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3gvk s LYS 739 N -1.73 4.11 3.12 -1.08 -0.14 -1.13 -4.92 119.74 117.97 3gvk s LYS 739 Ca 0.35 0.61 0.00 0.00 -1.36 0.00 0.00 55.97 55.56 3gvk s LYS 739 Cb 0.20 -3.25 0.00 0.00 -1.68 0.00 0.00 37.83 33.10 3gvk s LYS 739 CO 0.29 0.62 0.00 0.43 -0.76 0.00 0.00 175.35 175.93 3gvk n SER 740 N 1.92 0.00 -0.68 2.83 7.64 -1.26 -1.45 113.62 122.63 3gvk n SER 740 Ca -0.11 0.00 0.06 0.00 1.01 0.00 0.00 58.87 59.83 3gvk n SER 740 Cb 0.51 0.00 0.19 0.00 -1.01 0.00 0.00 64.21 63.90 3gvk n SER 740 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3gvk n ASP 741 N 2.30 1.97 0.00 6.43 8.00 -1.26 -5.03 116.55 128.96 3gvk n ASP 741 Ca 0.00 -1.97 0.00 0.00 0.71 0.00 0.00 54.79 53.53 3gvk n ASP 741 Cb 0.00 -0.23 0.00 0.00 -0.02 0.00 0.00 41.12 40.87 3gvk n ASP 741 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gvk n GLY 742 N 1.10 2.36 3.69 0.44 0.00 -0.53 -4.66 105.19 107.60 3gvk n GLY 742 Ca 0.13 -0.36 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 3gvk n GLY 742 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gvk s HIS 743 N 0.00 3.32 0.08 1.61 3.76 -0.13 -4.24 115.29 119.68 3gvk s HIS 743 Ca 0.00 0.20 0.33 0.00 -0.15 0.00 0.00 55.06 55.44 3gvk s HIS 743 Cb 0.00 -2.03 1.36 0.00 1.11 0.00 0.00 32.58 33.02 3gvk s HIS 743 CO 0.00 0.31 1.98 -1.00 -0.85 0.00 0.00 174.74 175.18 3gvk h PRO 744 N 6.20 0.00 -6.55 8.40 0.13 -1.83 -3.42 132.00 134.93 3gvk h PRO 744 Ca -0.42 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.18 3gvk h PRO 744 Cb 1.18 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.33 3gvk h PRO 744 CO 0.67 0.00 0.74 0.45 -0.23 0.00 0.00 178.00 179.63 3gvk s SER 745 N -5.64 6.81 0.20 1.44 0.15 -1.26 -3.55 113.70 111.85 3gvk s SER 745 Ca 0.01 2.35 -0.09 0.00 0.70 0.00 0.00 55.95 58.92 3gvk s SER 745 Cb 0.09 -2.59 -0.01 0.00 -1.71 0.00 0.00 66.02 61.80 3gvk s SER 745 CO 0.54 -0.67 0.33 -1.81 1.20 0.00 0.00 173.24 172.83 3gvk s ASP 746 N 1.12 0.00 0.12 5.45 1.01 -0.28 -2.19 116.67 121.92 3gvk s ASP 746 Ca 0.65 -0.98 -0.08 0.00 0.71 0.00 0.00 52.55 52.85 3gvk s ASP 746 Cb -0.37 0.49 -0.06 0.00 1.01 0.00 0.00 42.92 43.98 3gvk s ASP 746 CO 0.30 -0.98 0.42 -0.76 0.21 0.00 0.00 175.17 174.36 3gvk s LEU 747 N -3.02 4.29 0.21 1.23 1.43 -1.26 -0.81 118.68 120.76 3gvk s LEU 747 Ca 0.23 0.75 0.04 0.00 -1.03 0.00 0.00 54.13 54.11 3gvk s LEU 747 Cb 0.02 -3.20 -0.05 0.00 0.03 0.00 0.00 46.19 42.99 3gvk s LEU 747 CO 0.06 0.09 -0.03 -0.31 0.23 0.00 0.00 176.35 176.39 3gvk s TYR 748 N -1.55 1.49 -0.08 0.29 2.02 0.14 -0.98 117.35 118.70 3gvk s TYR 748 Ca 0.38 -0.88 -0.03 0.00 -0.37 0.00 0.00 57.07 56.16 3gvk s TYR 748 Cb -0.13 -0.84 0.04 0.00 -0.40 0.00 0.00 41.96 40.63 3gvk s TYR 748 CO 0.21 -0.01 0.12 0.00 -1.57 0.00 0.00 175.55 174.30 3gvk s TYR 750 N 2.24 3.21 -0.30 0.00 5.04 0.16 -0.64 117.35 127.07 3gvk s TYR 750 Ca 0.04 0.53 -0.10 0.00 -2.44 0.00 0.00 57.07 55.10 3gvk s TYR 750 Cb -0.12 -2.96 -0.02 0.00 0.35 0.00 0.00 41.96 39.20 3gvk s TYR 750 CO -0.05 -0.47 0.16 0.21 -1.34 0.00 0.00 175.55 174.07 3gvk s LYS 751 N 2.55 3.60 -0.07 4.97 2.20 -0.18 -1.14 119.74 131.67 3gvk s LYS 751 Ca 0.24 -0.55 0.04 0.00 -0.36 0.00 0.00 55.97 55.34 3gvk s LYS 751 Cb -0.15 -3.59 0.00 0.00 -1.51 0.00 0.00 37.83 32.58 3gvk s LYS 751 CO 0.12 -0.31 -0.19 1.41 -0.36 0.00 0.00 175.35 176.02 3gvk s MET 752 N 1.68 2.30 0.13 4.03 1.75 0.04 -1.30 119.30 127.93 3gvk s MET 752 Ca 0.06 -0.67 -0.31 0.00 -1.25 0.00 0.00 55.69 53.53 3gvk s MET 752 Cb -0.16 -1.83 -0.07 0.00 2.84 0.00 0.00 34.83 35.60 3gvk s MET 752 CO 0.08 0.16 1.28 0.21 -0.65 0.00 0.00 175.02 176.10 3gvk s LYS 753 N 0.35 4.40 0.00 4.11 2.20 0.38 -0.38 119.74 130.80 3gvk s LYS 753 Ca -0.13 1.94 0.00 0.00 -0.36 0.00 0.00 55.97 57.42 3gvk s LYS 753 Cb -0.16 -3.26 0.00 0.00 -1.51 0.00 0.00 37.83 32.90 3gvk s LYS 753 CO 0.05 -0.28 0.70 0.44 -0.36 0.00 0.00 175.35 175.91 3gvk n ILE 754 N 3.37 0.47 -3.72 5.43 -6.64 0.19 -4.80 119.36 113.66 3gvk n ILE 754 Ca 0.08 -0.51 -0.01 0.00 -1.77 0.00 0.00 62.75 60.54 3gvk n ILE 754 Cb 0.44 0.84 -0.01 0.00 -1.44 0.00 0.00 39.64 39.47 3gvk n ILE 754 CO 0.00 0.00 0.00 -0.83 -1.77 0.00 0.00 176.55 173.95 3gvk s GLY 755 N -0.47 -0.28 0.51 3.28 0.00 -1.15 -4.98 107.32 104.25 3gvk s GLY 755 Ca 0.00 0.30 -0.23 0.00 0.00 0.00 0.00 44.72 44.79 3gvk s GLY 755 CO 0.00 0.26 1.37 -4.14 0.00 0.00 0.00 173.10 170.60 3gvk s PRO 756 N -2.89 3.34 -0.38 2.90 0.02 -1.26 -4.87 135.00 131.85 3gvk s PRO 756 Ca 0.14 2.28 -0.02 0.00 0.02 0.00 0.00 61.00 63.42 3gvk s PRO 756 Cb 0.01 -2.39 0.09 0.00 0.02 0.00 0.00 34.50 32.23 3gvk s PRO 756 CO 0.00 -1.05 0.14 0.34 -0.33 0.00 0.00 177.00 176.11 3gvk s ASP 757 N -0.82 5.15 -0.08 2.53 -1.08 -1.26 -4.82 116.67 116.29 3gvk s ASP 757 Ca 0.68 -1.83 0.08 0.00 -0.52 0.00 0.00 52.55 50.96 3gvk s ASP 757 Cb -0.41 -1.79 0.38 0.00 -1.46 0.00 0.00 42.92 39.64 3gvk s ASP 757 CO 0.50 -0.46 1.18 0.59 0.52 0.00 0.00 175.17 177.50 3gvk n ASN 758 N 4.59 2.89 -4.48 -0.34 5.03 -1.26 -4.86 115.26 116.83 3gvk n ASN 758 Ca -0.05 -2.31 -0.26 0.00 0.87 0.00 0.00 54.58 52.84 3gvk n ASN 758 Cb 0.42 -0.47 -0.10 0.00 -1.02 0.00 0.00 39.78 38.60 3gvk n ASN 758 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 3gvk s ARG 759 N -1.75 1.71 0.70 3.52 0.52 -1.26 -5.13 118.95 117.26 3gvk s ARG 759 Ca 0.26 -1.56 -0.16 0.00 -0.52 0.00 0.00 55.73 53.75 3gvk s ARG 759 Cb 0.18 -1.89 0.02 0.00 0.52 0.00 0.00 34.95 33.78 3gvk s ARG 759 CO 0.11 0.38 1.21 0.08 0.02 0.00 0.00 175.30 177.10 3gvk s VAL 760 N -2.00 2.37 0.52 3.52 1.01 -1.26 -4.94 120.40 119.61 3gvk s VAL 760 Ca 0.25 0.19 -0.23 0.00 0.00 0.00 0.00 61.98 62.20 3gvk s VAL 760 Cb -0.07 -2.84 -0.06 0.00 0.00 0.00 0.00 36.38 33.41 3gvk s VAL 760 CO 0.13 -0.08 1.37 -0.55 0.00 0.00 0.00 175.10 175.97 3gvk s SER 761 N -1.91 5.45 0.00 3.32 0.15 -1.26 -4.94 113.70 114.51 3gvk s SER 761 Ca 0.75 2.79 0.23 0.00 0.70 0.00 0.00 55.95 60.43 3gvk s SER 761 Cb -0.30 -2.64 0.03 0.00 -1.71 0.00 0.00 66.02 61.40 3gvk s SER 761 CO 0.42 -1.45 1.12 0.54 1.20 0.00 0.00 173.24 175.07 3gvk n ARG 762 N -0.79 1.28 -1.84 5.44 3.00 -1.26 -5.03 116.66 117.46 3gvk n ARG 762 Ca 0.09 -1.05 -0.41 0.00 -0.01 0.00 0.00 57.85 56.46 3gvk n ARG 762 Cb 0.44 -1.48 -0.01 0.00 0.00 0.00 0.00 32.46 31.42 3gvk n ARG 762 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3gvk s ASP 763 N -2.44 6.40 0.08 0.55 1.11 -1.26 -5.03 116.67 116.08 3gvk s ASP 763 Ca 0.19 2.99 0.01 0.00 0.18 0.00 0.00 52.55 55.92 3gvk s ASP 763 Cb 0.18 -2.66 -0.04 0.00 1.07 0.00 0.00 42.92 41.47 3gvk s ASP 763 CO 0.55 -0.83 -0.06 0.72 1.18 0.00 0.00 175.17 176.73 3gvk s PHE 764 N -0.97 0.79 -0.13 4.23 -0.12 -1.26 -5.14 117.98 115.39 3gvk s PHE 764 Ca 0.54 -0.92 -0.18 0.00 -0.05 0.00 0.00 56.93 56.31 3gvk s PHE 764 Cb -0.46 -0.48 -0.04 0.00 -0.63 0.00 0.00 43.02 41.41 3gvk s PHE 764 CO 0.60 -0.20 0.48 0.50 -0.05 0.00 0.00 175.22 176.55 3gvk s ARG 765 N -3.71 4.32 -0.40 1.99 3.52 -1.26 -5.04 118.95 118.37 3gvk s ARG 765 Ca 0.09 0.44 -0.29 0.00 -0.13 0.00 0.00 55.73 55.85 3gvk s ARG 765 Cb 0.05 -3.45 0.02 0.00 -1.56 0.00 0.00 34.95 30.01 3gvk s ARG 765 CO -0.06 0.12 1.13 -0.47 -0.81 0.00 0.00 175.30 175.22 3gvk s TYR 766 N 0.73 2.94 0.00 5.12 5.04 -1.26 -4.85 117.35 125.07 3gvk s TYR 766 Ca 0.26 0.93 0.00 0.00 -2.44 0.00 0.00 57.07 55.81 3gvk s TYR 766 Cb -0.15 -4.09 0.00 0.00 0.35 0.00 0.00 41.96 38.07 3gvk s TYR 766 CO 0.10 -1.11 0.83 0.41 -1.34 0.00 0.00 175.55 174.44 3gvk n GLY 767 N 4.42 1.49 3.88 8.97 0.00 -1.26 -5.07 105.19 117.62 3gvk n GLY 767 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 3gvk n GLY 767 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gvk s ALA 768 N -0.68 3.29 -0.06 4.61 0.00 -1.26 -5.04 121.76 122.61 3gvk s ALA 768 Ca 0.00 -0.25 -0.30 0.00 0.00 0.00 0.00 51.96 51.41 3gvk s ALA 768 Cb 0.00 -2.78 -0.04 0.00 0.00 0.00 0.00 23.12 20.30 3gvk s ALA 768 CO 0.00 -0.31 1.40 0.08 0.00 0.00 0.00 175.76 176.94 3gvk s VAL 769 N -2.71 3.89 -0.14 0.00 1.01 -1.26 -4.97 120.40 116.23 3gvk s VAL 769 Ca 0.51 1.18 -0.29 0.00 0.00 0.00 0.00 61.98 63.38 3gvk s VAL 769 Cb -0.10 -3.76 -0.06 0.00 0.00 0.00 0.00 36.38 32.46 3gvk s VAL 769 CO 0.41 -0.05 1.96 -2.84 0.00 0.00 0.00 175.10 174.58 3gvk s PRO 770 N 3.05 3.65 -0.12 2.72 0.02 -1.26 -4.84 135.00 138.23 3gvk s PRO 770 Ca 0.63 2.11 0.18 0.00 0.02 0.00 0.00 61.00 63.94 3gvk s PRO 770 Cb -0.28 -4.21 0.43 0.00 0.02 0.00 0.00 34.50 30.46 3gvk s PRO 770 CO 0.23 -1.50 1.19 -1.71 -0.33 0.00 0.00 177.00 174.89 3gvk n ASN 771 N 9.40 1.53 -0.12 2.53 5.15 -1.26 -4.75 115.26 127.74 3gvk n ASN 771 Ca 0.23 -2.93 -0.20 0.00 -0.60 0.00 0.00 54.58 51.08 3gvk n ASN 771 Cb 0.44 -0.41 -0.11 0.00 -0.53 0.00 0.00 39.78 39.17 3gvk n ASN 771 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3gvk n ARG 772 N -0.33 0.59 0.17 1.20 5.12 -1.26 -3.85 116.66 118.29 3gvk n ARG 772 Ca 0.14 0.17 -0.14 0.00 -1.93 0.00 0.00 57.85 56.09 3gvk n ARG 772 Cb 0.92 -1.47 -0.08 0.00 -1.16 0.00 0.00 32.46 30.67 3gvk n ARG 772 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3gvk h ALA 773 N -0.26 -0.42 -3.02 7.54 0.00 -2.01 -3.37 119.26 117.72 3gvk h ALA 773 Ca -0.57 -0.17 -0.62 0.00 0.00 0.00 0.00 54.91 53.55 3gvk h ALA 773 Cb 1.76 0.16 -0.40 0.00 0.00 0.00 0.00 17.79 19.31 3gvk h ALA 773 CO -0.17 -0.60 -0.71 0.08 0.00 0.00 0.00 179.25 177.84 3gvk s VAL 774 N -5.01 1.80 -0.14 0.00 1.01 -1.26 -5.10 120.40 111.70 3gvk s VAL 774 Ca -0.15 -3.04 -0.29 0.00 0.00 0.00 0.00 61.98 58.51 3gvk s VAL 774 Cb 0.03 -2.24 -0.05 0.00 0.00 0.00 0.00 36.38 34.12 3gvk s VAL 774 CO 0.57 -0.93 1.85 -2.84 0.00 0.00 0.00 175.10 173.75 3gvk s PRO 775 N -0.14 3.77 -0.10 2.72 0.02 -1.25 -4.85 135.00 135.17 3gvk s PRO 775 Ca 0.20 2.04 0.02 0.00 0.02 0.00 0.00 61.00 63.28 3gvk s PRO 775 Cb -0.18 -4.14 -0.01 0.00 0.02 0.00 0.00 34.50 30.19 3gvk s PRO 775 CO -0.05 -1.35 -0.17 0.08 -0.33 0.00 0.00 177.00 175.18 3gvk s VAL 776 N 5.61 2.72 -0.05 3.83 1.01 -1.26 -4.02 120.40 128.24 3gvk s VAL 776 Ca 0.83 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 62.02 3gvk s VAL 776 Cb -0.32 -2.09 0.02 0.00 0.00 0.00 0.00 36.38 33.99 3gvk s VAL 776 CO 0.34 0.55 -0.08 -0.36 0.00 0.00 0.00 175.10 175.54 3gvk s PHE 777 N 0.03 1.10 -0.21 5.22 0.08 0.14 -4.91 117.98 119.42 3gvk s PHE 777 Ca -0.06 -0.37 -0.29 0.00 0.12 0.00 0.00 56.93 56.33 3gvk s PHE 777 Cb -0.15 -0.86 -0.03 0.00 -0.57 0.00 0.00 43.02 41.42 3gvk s PHE 777 CO 0.05 -0.23 1.59 -0.06 -0.10 0.00 0.00 175.22 176.47 3gvk s PHE 778 N 0.76 2.16 1.09 0.36 0.08 -1.26 -0.22 117.98 120.94 3gvk s PHE 778 Ca -0.13 0.56 -0.17 0.00 0.12 0.00 0.00 56.93 57.31 3gvk s PHE 778 Cb -0.15 -3.96 0.24 0.00 -0.57 0.00 0.00 43.02 38.58 3gvk s PHE 778 CO 0.02 -2.87 1.15 0.16 -0.10 0.00 0.00 175.22 173.58 3gvk s ASP 779 N 4.02 1.92 0.27 1.36 1.47 -0.44 -4.83 116.67 120.42 3gvk s ASP 779 Ca 0.70 0.68 0.21 0.00 1.18 0.00 0.00 52.55 55.32 3gvk s ASP 779 Cb -0.25 -0.99 1.01 0.00 -0.34 0.00 0.00 42.92 42.36 3gvk s ASP 779 CO 0.28 -3.51 1.65 0.35 0.68 0.00 0.00 175.17 174.61 3gvk n THR 780 N -4.36 0.99 1.12 2.11 -2.24 -1.26 -0.78 114.28 109.86 3gvk n THR 780 Ca 0.11 0.48 0.13 0.00 -2.27 0.00 0.00 64.05 62.50 3gvk n THR 780 Cb 0.59 -1.44 0.28 0.00 -2.10 0.00 0.00 70.33 67.66 3gvk n THR 780 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3gvk n ASN 781 N -2.19 2.44 0.00 3.42 4.05 -1.26 -4.96 115.26 116.76 3gvk n ASN 781 Ca 0.00 -1.81 0.00 0.00 0.45 0.00 0.00 54.58 53.23 3gvk n ASN 781 Cb 0.13 -0.03 0.00 0.00 1.23 0.00 0.00 39.78 41.10 3gvk n ASN 781 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3gvk n GLY 782 N 1.29 0.54 3.50 8.20 0.00 0.04 -5.05 105.19 113.71 3gvk n GLY 782 Ca 0.16 -0.66 -0.34 0.00 0.00 0.00 0.00 46.02 45.19 3gvk n GLY 782 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gvk s VAL 783 N -2.00 3.67 0.11 1.61 1.01 -1.26 -4.82 120.40 118.72 3gvk s VAL 783 Ca 0.00 -0.46 -0.33 0.00 0.00 0.00 0.00 61.98 61.19 3gvk s VAL 783 Cb 0.00 -2.56 -0.13 0.00 0.00 0.00 0.00 36.38 33.69 3gvk s VAL 783 CO 0.00 0.53 1.71 0.54 0.00 0.00 0.00 175.10 177.88 3gvk n ARG 784 N 3.11 2.36 -4.64 2.72 1.74 -1.26 -1.33 116.66 119.36 3gvk n ARG 784 Ca -0.18 0.86 -0.25 0.00 -0.77 0.00 0.00 57.85 57.50 3gvk n ARG 784 Cb 0.53 -2.67 -0.17 0.00 -1.02 0.00 0.00 32.46 29.13 3gvk n ARG 784 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3gvk s THR 785 N 1.94 1.23 -0.36 0.55 2.01 0.69 -4.91 115.64 116.79 3gvk s THR 785 Ca 0.82 -0.53 -0.05 0.00 0.31 0.00 0.00 61.69 62.23 3gvk s THR 785 Cb -0.62 -1.12 0.07 0.00 0.01 0.00 0.00 72.50 70.84 3gvk s THR 785 CO 0.40 0.38 0.13 -0.69 -0.69 0.00 0.00 174.62 174.15 3gvk s VAL 786 N 0.65 3.56 -0.92 3.82 1.01 -1.26 -0.68 120.40 126.58 3gvk s VAL 786 Ca -0.15 -1.46 0.26 0.00 0.00 0.00 0.00 61.98 60.63 3gvk s VAL 786 Cb -0.16 -3.16 0.07 0.00 0.00 0.00 0.00 36.38 33.14 3gvk s VAL 786 CO 0.04 -0.35 1.52 -2.65 0.00 0.00 0.00 175.10 173.67 3gvk n PRO 787 N 4.74 0.07 -2.58 2.72 -0.02 -1.26 -4.90 135.00 133.76 3gvk n PRO 787 Ca -0.10 0.02 -0.37 0.00 -2.02 0.00 0.00 63.50 61.04 3gvk n PRO 787 Cb 0.43 -1.55 -0.04 0.00 -0.02 0.00 0.00 33.50 32.32 3gvk n PRO 787 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gvk s ALA 788 N -3.04 3.13 0.28 3.55 0.00 -1.26 -5.02 121.76 119.40 3gvk s ALA 788 Ca 0.11 0.68 -0.29 0.00 0.00 0.00 0.00 51.96 52.46 3gvk s ALA 788 Cb 0.17 -3.26 -0.10 0.00 0.00 0.00 0.00 23.12 19.93 3gvk s ALA 788 CO 0.66 -0.15 1.33 -1.25 0.00 0.00 0.00 175.76 176.35 3gvk s PRO 789 N -2.37 4.36 0.04 0.00 0.04 -1.26 -5.03 135.00 130.77 3gvk s PRO 789 Ca 0.56 2.18 0.03 0.00 0.04 0.00 0.00 61.00 63.80 3gvk s PRO 789 Cb -0.22 -3.11 -0.02 0.00 0.04 0.00 0.00 34.50 31.19 3gvk s PRO 789 CO 0.28 -0.23 -0.09 -1.64 0.04 0.00 0.00 177.00 175.36 3gvk s MET 790 N -1.11 0.60 -0.15 4.56 -1.94 -1.26 -5.14 119.30 114.86 3gvk s MET 790 Ca 0.53 -0.68 0.02 0.00 -1.71 0.00 0.00 55.69 53.84 3gvk s MET 790 Cb -0.39 -0.46 0.01 0.00 2.01 0.00 0.00 34.83 36.00 3gvk s MET 790 CO 0.47 0.10 -0.21 -1.21 -0.01 0.00 0.00 175.02 174.16 3gvk s GLU 791 N -1.29 2.95 -0.29 2.03 0.41 -1.26 -5.10 118.70 116.15 3gvk s GLU 791 Ca -0.05 -0.83 -0.06 0.00 -0.41 0.00 0.00 54.97 53.62 3gvk s GLU 791 Cb -0.08 -2.43 0.02 0.00 -1.78 0.00 0.00 34.13 29.86 3gvk s GLU 791 CO 0.01 -0.07 0.06 -0.06 -0.49 0.00 0.00 175.26 174.70 3gvk s PHE 792 N 0.96 3.16 -0.19 1.61 0.08 -1.26 -4.97 117.98 117.36 3gvk s PHE 792 Ca -0.04 -1.18 0.18 0.00 0.12 0.00 0.00 56.93 56.02 3gvk s PHE 792 Cb -0.15 -2.22 -0.27 0.00 -0.57 0.00 0.00 43.02 39.82 3gvk s PHE 792 CO -0.05 -0.63 0.48 0.25 -0.10 0.00 0.00 175.22 175.16 3gvk n THR 793 N 4.82 0.00 -1.67 0.64 -2.24 -1.26 -4.97 114.28 109.59 3gvk n THR 793 Ca -0.14 -0.35 -0.30 0.00 -2.27 0.00 0.00 64.05 60.99 3gvk n THR 793 Cb 0.47 0.27 0.08 0.00 -2.10 0.00 0.00 70.33 69.05 3gvk n THR 793 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3gvk s GLY 794 N -3.82 1.62 0.13 3.38 0.00 -1.26 -4.99 107.32 102.37 3gvk s GLY 794 Ca -0.04 -0.31 -0.31 0.00 0.00 0.00 0.00 44.72 44.05 3gvk s GLY 794 CO 0.76 0.12 1.68 0.99 0.00 0.00 0.00 173.10 176.64 3gvk s ASP 795 N -4.10 6.53 -0.09 1.64 1.01 -1.26 -5.00 116.67 115.40 3gvk s ASP 795 Ca 0.60 2.63 0.01 0.00 0.71 0.00 0.00 52.55 56.50 3gvk s ASP 795 Cb -0.13 -2.58 -0.02 0.00 1.01 0.00 0.00 42.92 41.20 3gvk s ASP 795 CO 0.53 -0.91 -0.10 -0.76 0.21 0.00 0.00 175.17 174.14 3gvk s LEU 796 N 2.07 2.95 -0.16 1.23 1.02 -1.26 -5.10 118.68 119.43 3gvk s LEU 796 Ca 0.75 -0.15 -0.02 0.00 0.02 0.00 0.00 54.13 54.73 3gvk s LEU 796 Cb -0.44 -1.64 -0.01 0.00 0.02 0.00 0.00 46.19 44.12 3gvk s LEU 796 CO 0.33 0.29 -0.10 -0.83 0.02 0.00 0.00 176.35 176.06 3gvk s GLY 797 N -0.38 1.58 0.15 -3.19 0.00 -1.26 -5.13 107.32 99.10 3gvk s GLY 797 Ca 0.05 -0.95 0.11 0.00 0.00 0.00 0.00 44.72 43.92 3gvk s GLY 797 CO 0.02 -0.01 -0.23 1.08 0.00 0.00 0.00 173.10 173.96 3gvk s LEU 798 N 0.64 2.48 0.00 0.66 1.43 -1.26 -5.14 118.68 117.49 3gvk s LEU 798 Ca -0.05 -0.74 0.00 0.00 -1.03 0.00 0.00 54.13 52.31 3gvk s LEU 798 Cb -0.15 -1.30 0.00 0.00 0.03 0.00 0.00 46.19 44.77 3gvk s LEU 798 CO 0.03 0.16 0.00 0.61 0.23 0.00 0.00 176.35 177.37 3gvk n GLY 799 N 0.63 0.95 3.73 -3.19 0.00 -1.26 -4.98 105.19 101.07 3gvk n GLY 799 Ca -0.15 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 3gvk n GLY 799 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3gvk s HIS 800 N 2.33 3.05 -0.07 1.61 5.65 -1.26 -5.01 115.29 121.59 3gvk s HIS 800 Ca 0.00 0.78 0.04 0.00 0.25 0.00 0.00 55.06 56.14 3gvk s HIS 800 Cb 0.00 -3.88 -0.00 0.00 -1.18 0.00 0.00 32.58 27.52 3gvk s HIS 800 CO 0.00 -3.12 -0.20 0.08 -0.65 0.00 0.00 174.74 170.85 3gvk s VAL 801 N 0.71 1.74 -0.10 0.89 1.01 -1.26 -5.12 120.40 118.27 3gvk s VAL 801 Ca 0.66 -0.86 0.04 0.00 0.00 0.00 0.00 61.98 61.82 3gvk s VAL 801 Cb -0.43 -1.50 0.00 0.00 0.00 0.00 0.00 36.38 34.45 3gvk s VAL 801 CO 0.36 0.49 -0.23 -0.89 0.00 0.00 0.00 175.10 174.83 3gvk s THR 802 N 0.19 1.98 -0.41 3.92 2.01 -1.26 -5.10 115.64 116.97 3gvk s THR 802 Ca -0.10 -0.97 -0.17 0.00 0.31 0.00 0.00 61.69 60.76 3gvk s THR 802 Cb -0.15 -1.72 0.02 0.00 0.01 0.00 0.00 72.50 70.66 3gvk s THR 802 CO 0.05 0.54 0.41 -0.63 -0.69 0.00 0.00 174.62 174.30 3gvk s ILE 803 N 0.40 5.12 0.64 1.82 -1.09 -1.26 -5.07 121.20 121.76 3gvk s ILE 803 Ca -0.18 -0.35 -0.13 0.00 -2.23 0.00 0.00 60.65 57.76 3gvk s ILE 803 Cb -0.18 -4.01 -0.02 0.00 -1.58 0.00 0.00 42.46 36.68 3gvk s ILE 803 CO 0.08 -0.38 1.05 -0.13 -1.23 0.00 0.00 174.94 174.33 3gvk s ARG 804 N 2.07 3.20 0.22 2.79 1.81 -1.26 -4.79 118.95 122.99 3gvk s ARG 804 Ca 0.11 1.00 -0.32 0.00 -1.72 0.00 0.00 55.73 54.81 3gvk s ARG 804 Cb -0.17 -2.02 -0.11 0.00 -0.45 0.00 0.00 34.95 32.19 3gvk s ARG 804 CO 0.13 -0.89 1.67 0.00 -0.68 0.00 0.00 175.30 175.52 3gvk s ALA 805 N -2.86 3.87 0.00 2.13 0.00 -1.26 -4.27 121.76 119.36 3gvk s ALA 805 Ca 0.59 1.54 0.00 0.00 0.00 0.00 0.00 51.96 54.09 3gvk s ALA 805 Cb -0.14 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.31 3gvk s ALA 805 CO 0.48 -0.90 0.00 -1.13 0.00 0.00 0.00 175.76 174.21 3gvk n SER 806 N 3.63 0.00 -4.21 0.00 3.41 -0.15 -4.91 113.62 111.39 3gvk n SER 806 Ca 0.14 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.50 3gvk n SER 806 Cb 0.36 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.17 3gvk n SER 806 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3gvk s THR 807 N -0.54 1.52 -0.61 6.66 2.01 -0.83 -4.46 115.64 119.39 3gvk s THR 807 Ca 0.00 -0.97 -0.05 0.00 0.31 0.00 0.00 61.69 60.98 3gvk s THR 807 Cb 0.00 -1.29 0.01 0.00 0.01 0.00 0.00 72.50 71.22 3gvk s THR 807 CO 0.00 0.31 0.65 -0.24 -0.69 0.00 0.00 174.62 174.64 3gvk n SER 808 N 2.27 -7.68 -3.74 3.53 2.88 -1.26 -2.07 113.62 107.55 3gvk n SER 808 Ca -0.16 0.13 -0.29 0.00 -1.33 0.00 0.00 58.87 57.23 3gvk n SER 808 Cb 0.54 -5.22 0.00 0.00 -0.75 0.00 0.00 64.21 58.78 3gvk n SER 808 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3gvk n SER 809 N -1.25 -4.19 -2.10 -3.46 7.64 -1.26 -1.91 113.62 107.09 3gvk n SER 809 Ca 0.04 -0.66 -0.14 0.00 1.01 0.00 0.00 58.87 59.11 3gvk n SER 809 Cb 0.48 -3.40 -0.02 0.00 -1.01 0.00 0.00 64.21 60.26 3gvk n SER 809 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3gvk n ASN 810 N -2.58 -4.16 0.14 6.43 3.02 -1.15 -4.86 115.26 112.11 3gvk n ASN 810 Ca 0.02 0.22 -0.00 0.00 -0.03 0.00 0.00 54.58 54.79 3gvk n ASN 810 Cb 0.53 -3.61 0.25 0.00 -0.61 0.00 0.00 39.78 36.34 3gvk n ASN 810 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3gvk h ILE 811 N 0.00 1.34 -3.75 2.41 2.10 -0.79 -3.41 117.51 115.40 3gvk h ILE 811 Ca -0.32 -1.63 -0.30 0.00 1.08 0.00 0.00 64.86 63.69 3gvk h ILE 811 Cb 1.14 1.84 -0.17 0.00 -1.09 0.00 0.00 36.82 38.54 3gvk h ILE 811 CO 0.41 0.47 -0.73 0.00 -1.08 0.00 0.00 178.15 177.22 3gvk s ARG 812 N -3.98 0.82 0.28 2.19 1.70 -1.04 -4.99 118.95 113.94 3gvk s ARG 812 Ca -0.03 -1.16 -0.09 0.00 -0.47 0.00 0.00 55.73 53.98 3gvk s ARG 812 Cb 0.13 -0.46 -0.07 0.00 -0.57 0.00 0.00 34.95 33.99 3gvk s ARG 812 CO 0.75 0.06 0.60 -1.54 -1.08 0.00 0.00 175.30 174.09 3gvk s SER 813 N -2.50 6.56 -0.11 -2.89 1.04 -1.26 -0.98 113.70 113.56 3gvk s SER 813 Ca 0.06 0.91 -0.07 0.00 0.48 0.00 0.00 55.95 57.33 3gvk s SER 813 Cb -0.02 -2.22 0.04 0.00 0.10 0.00 0.00 66.02 63.92 3gvk s SER 813 CO -0.01 -0.18 0.27 -0.70 0.98 0.00 0.00 173.24 173.61 3gvk s GLU 814 N -3.24 0.25 -0.11 4.02 2.12 -1.26 -4.96 118.70 115.52 3gvk s GLU 814 Ca 0.47 0.53 0.02 0.00 0.36 0.00 0.00 54.97 56.35 3gvk s GLU 814 Cb -0.11 -0.05 0.01 0.00 0.26 0.00 0.00 34.13 34.24 3gvk s GLU 814 CO 0.25 -0.14 -0.15 0.08 -0.54 0.00 0.00 175.26 174.76 3gvk s VAL 815 N 1.06 1.52 -0.07 3.70 1.01 -1.26 -5.05 120.40 121.30 3gvk s VAL 815 Ca -0.07 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.27 3gvk s VAL 815 Cb -0.08 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.89 3gvk s VAL 815 CO -0.07 0.44 -0.11 -0.76 0.00 0.00 0.00 175.10 174.60 3gvk s LEU 816 N 0.98 2.88 -0.14 3.92 1.43 -1.26 -5.12 118.68 121.37 3gvk s LEU 816 Ca -0.07 -0.16 -0.03 0.00 -1.03 0.00 0.00 54.13 52.84 3gvk s LEU 816 Cb -0.15 -1.61 -0.03 0.00 0.03 0.00 0.00 46.19 44.43 3gvk s LEU 816 CO -0.02 0.31 -0.04 -0.04 0.23 0.00 0.00 176.35 176.80 3gvk s MET 817 N -0.52 3.56 0.00 1.70 -1.94 -1.26 -5.12 119.30 115.72 3gvk s MET 817 Ca 0.07 -0.52 0.00 0.00 -1.71 0.00 0.00 55.69 53.53 3gvk s MET 817 Cb -0.12 -2.87 0.00 0.00 2.01 0.00 0.00 34.83 33.85 3gvk s MET 817 CO 0.02 0.30 0.00 0.39 -0.01 0.00 0.00 175.02 175.72 3gvk n GLU 818 N 3.35 1.50 0.00 2.03 1.02 -1.26 -4.82 120.64 122.46 3gvk n GLU 818 Ca -0.17 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.97 3gvk n GLU 818 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.95 3gvk n GLU 818 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gvk n GLY 819 N 5.00 -2.39 0.22 0.62 0.00 -1.26 -4.27 105.19 103.11 3gvk n GLY 819 Ca 0.00 -1.57 -0.09 0.00 0.00 0.00 0.00 46.02 44.36 3gvk n GLY 819 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3gvk h GLU 820 N 0.00 0.70 -4.55 1.61 4.81 -2.09 -3.45 114.58 111.61 3gvk h GLU 820 Ca 0.00 -0.15 -0.21 0.00 -0.13 0.00 0.00 59.36 58.87 3gvk h GLU 820 Cb 0.00 -0.10 -0.16 0.00 0.63 0.00 0.00 28.75 29.12 3gvk h GLU 820 CO 0.00 0.67 -0.70 1.52 -0.73 0.00 0.00 179.01 179.77 3gvk s TYR 821 N -5.43 0.78 0.07 0.92 -0.85 -1.26 -5.16 117.35 106.42 3gvk s TYR 821 Ca -0.13 -0.86 0.01 0.00 -0.52 0.00 0.00 57.07 55.57 3gvk s TYR 821 Cb 0.11 -0.47 -0.04 0.00 0.38 0.00 0.00 41.96 41.94 3gvk s TYR 821 CO 0.77 -0.18 0.15 0.20 -1.52 0.00 0.00 175.55 174.97 3gvk s GLY 822 N -2.75 2.11 -0.08 5.49 0.00 -1.26 -4.87 107.32 105.96 3gvk s GLY 822 Ca 0.07 -0.93 -0.01 0.00 0.00 0.00 0.00 44.72 43.86 3gvk s GLY 822 CO -0.05 -0.91 -0.04 -0.12 0.00 0.00 0.00 173.10 171.99 3gvk s PHE 823 N -1.45 1.02 -0.26 1.90 5.36 -1.26 -5.10 117.98 118.19 3gvk s PHE 823 Ca 0.32 -0.40 -0.01 0.00 -0.96 0.00 0.00 56.93 55.88 3gvk s PHE 823 Cb -0.13 -0.96 0.04 0.00 -0.34 0.00 0.00 43.02 41.63 3gvk s PHE 823 CO 0.25 -0.38 -0.07 0.42 -1.46 0.00 0.00 175.22 173.98 3gvk s ILE 824 N 1.70 2.70 0.32 3.12 1.01 -1.26 -5.10 121.20 123.68 3gvk s ILE 824 Ca 0.02 -1.21 0.04 0.00 0.00 0.00 0.00 60.65 59.51 3gvk s ILE 824 Cb -0.13 -2.43 -0.02 0.00 0.01 0.00 0.00 42.46 39.90 3gvk s ILE 824 CO -0.05 0.12 0.15 0.61 0.00 0.00 0.00 174.94 175.76 3gvk n GLY 825 N 4.61 3.33 2.89 6.18 0.00 -1.26 -5.16 105.19 115.78 3gvk n GLY 825 Ca -0.16 -2.02 -0.26 0.00 0.00 0.00 0.00 46.02 43.58 3gvk n GLY 825 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gvk s LYS 826 N -3.23 1.45 0.79 1.61 2.47 -1.26 -5.09 119.74 116.48 3gvk s LYS 826 Ca 0.21 -0.22 -0.13 0.00 -1.56 0.00 0.00 55.97 54.26 3gvk s LYS 826 Cb 0.01 -1.53 0.07 0.00 -1.46 0.00 0.00 37.83 34.92 3gvk s LYS 826 CO 0.15 -0.27 1.18 -1.54 0.16 0.00 0.00 175.35 175.03 3gvk s SER 827 N 1.73 3.81 -0.04 1.43 1.04 -1.26 -4.95 113.70 115.46 3gvk s SER 827 Ca 0.05 2.28 -0.30 0.00 0.48 0.00 0.00 55.95 58.46 3gvk s SER 827 Cb -0.13 -2.58 -0.06 0.00 0.10 0.00 0.00 66.02 63.36 3gvk s SER 827 CO -0.08 -2.52 1.63 -0.63 0.98 0.00 0.00 173.24 172.62 3gvk s ILE 828 N -2.24 3.55 0.63 -1.02 1.01 -1.26 -4.92 121.20 116.96 3gvk s ILE 828 Ca 0.71 0.73 -0.18 0.00 0.00 0.00 0.00 60.65 61.92 3gvk s ILE 828 Cb -0.27 -3.47 -0.02 0.00 0.01 0.00 0.00 42.46 38.72 3gvk s ILE 828 CO 0.50 -0.05 1.23 -2.84 0.00 0.00 0.00 174.94 173.77 3gvk s PRO 829 N 3.77 2.73 -0.12 2.79 0.02 -1.26 -4.99 135.00 137.93 3gvk s PRO 829 Ca 0.72 1.86 -0.19 0.00 0.02 0.00 0.00 61.00 63.42 3gvk s PRO 829 Cb -0.34 -1.89 -0.16 0.00 0.02 0.00 0.00 34.50 32.13 3gvk s PRO 829 CO 0.29 -1.41 0.53 1.15 -0.33 0.00 0.00 177.00 177.23 3gvk h THR 830 N 0.58 1.10 0.12 0.99 2.02 -1.98 -3.35 112.91 112.39 3gvk h THR 830 Ca -0.50 -1.77 -0.34 0.00 0.77 0.00 0.00 66.41 64.57 3gvk h THR 830 Cb 1.31 2.06 -0.01 0.00 -1.74 0.00 0.00 68.15 69.77 3gvk h THR 830 CO 0.54 0.37 -1.82 0.44 0.37 0.00 0.00 175.52 175.42 3gvk h ASP 831 N -0.98 0.41 -2.40 4.18 3.32 -2.05 -3.41 116.42 115.49 3gvk h ASP 831 Ca -0.00 -0.75 -0.59 0.00 0.02 0.00 0.00 57.03 55.71 3gvk h ASP 831 Cb 0.61 -0.13 -0.40 0.00 0.22 0.00 0.00 39.33 39.64 3gvk h ASP 831 CO 0.00 1.65 -0.86 -3.20 -1.72 0.00 0.00 179.24 175.11 3gvk n ASN 832 N -3.44 1.10 0.26 6.45 5.15 -1.26 -4.95 115.26 118.57 3gvk n ASN 832 Ca -0.25 -2.80 0.11 0.00 -0.60 0.00 0.00 54.58 51.04 3gvk n ASN 832 Cb 1.05 -0.64 0.75 0.00 -0.53 0.00 0.00 39.78 40.42 3gvk n ASN 832 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3gvk h PRO 833 N 4.93 0.00 0.00 1.20 0.13 -1.81 -1.79 132.00 134.66 3gvk h PRO 833 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3gvk h PRO 833 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 3gvk h PRO 833 CO 0.54 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.31 3gvk n ALA 834 N -2.46 1.89 0.73 -0.56 0.00 -1.25 -1.84 120.51 117.02 3gvk n ALA 834 Ca -0.02 -0.07 0.09 0.00 0.00 0.00 0.00 53.44 53.43 3gvk n ALA 834 Cb 0.12 -1.21 0.07 0.00 0.00 0.00 0.00 19.45 18.42 3gvk n ALA 834 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gvk n GLY 835 N -0.18 0.29 3.68 0.00 0.00 -0.67 -1.45 105.19 106.84 3gvk n GLY 835 Ca 0.08 -0.50 -0.59 0.00 0.00 0.00 0.00 46.02 45.02 3gvk n GLY 835 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3gvk n GLN 836 N 0.89 0.93 -3.61 1.61 7.27 -0.77 -4.92 117.38 118.78 3gvk n GLN 836 Ca 0.10 0.33 -0.03 0.00 0.07 0.00 0.00 57.00 57.47 3gvk n GLN 836 Cb 0.43 -2.02 -0.01 0.00 2.41 0.00 0.00 30.24 31.05 3gvk n GLN 836 CO 0.00 0.00 0.00 -0.98 0.07 0.00 0.00 177.06 176.15 3gvk s ARG 837 N 3.82 0.52 -0.08 3.69 1.70 -1.26 -0.85 118.95 126.49 3gvk s ARG 837 Ca 1.01 -0.24 0.03 0.00 -0.47 0.00 0.00 55.73 56.06 3gvk s ARG 837 Cb -1.14 0.21 0.01 0.00 -0.57 0.00 0.00 34.95 33.46 3gvk s ARG 837 CO 0.67 -0.23 -0.15 0.42 -1.08 0.00 0.00 175.30 174.93 3gvk s ILE 838 N -2.63 1.35 -0.26 4.99 1.01 -0.60 -4.96 121.20 120.10 3gvk s ILE 838 Ca 0.11 -0.60 -0.12 0.00 0.00 0.00 0.00 60.65 60.04 3gvk s ILE 838 Cb 0.01 -1.21 -0.05 0.00 0.01 0.00 0.00 42.46 41.22 3gvk s ILE 838 CO -0.04 0.40 0.23 -0.63 0.00 0.00 0.00 174.94 174.90 3gvk s ILE 839 N 0.62 5.29 -0.18 2.92 1.01 -1.26 -1.63 121.20 127.97 3gvk s ILE 839 Ca -0.15 0.28 -0.08 0.00 0.00 0.00 0.00 60.65 60.70 3gvk s ILE 839 Cb -0.16 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 3gvk s ILE 839 CO 0.04 0.26 0.08 -0.36 0.00 0.00 0.00 174.94 174.96 3gvk s PHE 840 N 1.60 3.30 -0.01 3.97 0.08 -0.21 -5.00 117.98 121.70 3gvk s PHE 840 Ca 0.09 0.16 0.01 0.00 0.12 0.00 0.00 56.93 57.31 3gvk s PHE 840 Cb -0.15 -2.08 0.01 0.00 -0.57 0.00 0.00 43.02 40.23 3gvk s PHE 840 CO 0.09 0.23 -0.02 0.00 -0.10 0.00 0.00 175.22 175.42 3gvk n GLY 842 N 3.42 -0.95 2.40 0.00 0.00 -0.15 -4.88 105.19 105.02 3gvk n GLY 842 Ca -0.18 -0.22 -0.20 0.00 0.00 0.00 0.00 46.02 45.43 3gvk n GLY 842 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gvk n GLY 843 N 1.06 3.64 0.21 -0.02 0.00 -1.25 -4.83 105.19 104.00 3gvk n GLY 843 Ca 0.22 -2.19 0.11 0.00 0.00 0.00 0.00 46.02 44.16 3gvk n GLY 843 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3gvk h GLU 844 N 0.00 0.00 -5.20 1.61 4.11 -1.90 -3.46 114.58 109.74 3gvk h GLU 844 Ca -0.25 0.00 -0.46 0.00 0.07 0.00 0.00 59.36 58.71 3gvk h GLU 844 Cb 0.85 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.97 3gvk h GLU 844 CO 0.41 0.08 -0.61 0.20 0.07 0.00 0.00 179.01 179.16 3gvk s GLY 845 N -4.25 2.04 0.49 1.06 0.00 -1.26 -5.04 107.32 100.37 3gvk s GLY 845 Ca 0.06 -2.04 0.27 0.00 0.00 0.00 0.00 44.72 43.00 3gvk s GLY 845 CO 0.67 -1.80 1.95 -0.91 0.00 0.00 0.00 173.10 173.01 3gvk h THR 846 N 2.14 0.48 -2.97 0.90 1.35 -2.01 -3.43 112.91 109.37 3gvk h THR 846 Ca -0.41 -0.81 -0.53 0.00 -0.55 0.00 0.00 66.41 64.12 3gvk h THR 846 Cb 1.24 1.56 0.04 0.00 -1.73 0.00 0.00 68.15 69.26 3gvk h THR 846 CO 0.69 0.15 0.82 -0.55 -0.25 0.00 0.00 175.52 176.38 3gvk s SER 847 N -6.09 6.66 0.00 5.36 0.15 -1.26 -4.90 113.70 113.63 3gvk s SER 847 Ca -0.01 2.55 0.13 0.00 0.70 0.00 0.00 55.95 59.33 3gvk s SER 847 Cb 0.11 -2.60 0.64 0.00 -1.71 0.00 0.00 66.02 62.47 3gvk s SER 847 CO 0.60 -0.76 1.38 -1.54 1.20 0.00 0.00 173.24 174.12 3gvk n SER 848 N 3.66 0.00 0.25 5.45 3.41 -1.26 -1.94 113.62 123.19 3gvk n SER 848 Ca 0.12 0.24 0.12 0.00 -0.26 0.00 0.00 58.87 59.09 3gvk n SER 848 Cb 0.40 -0.36 0.64 0.00 -0.26 0.00 0.00 64.21 64.63 3gvk n SER 848 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 3gvk h THR 849 N 0.00 0.49 0.00 6.66 1.35 -1.93 -3.10 112.91 116.38 3gvk h THR 849 Ca 0.00 -0.73 0.00 0.00 -0.55 0.00 0.00 66.41 65.13 3gvk h THR 849 Cb 0.16 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 3gvk h THR 849 CO 0.00 0.14 -0.14 0.71 -0.25 0.00 0.00 175.52 175.98 3gvk h THR 850 N 0.00 0.00 0.00 6.82 1.35 -1.70 -3.49 112.91 115.89 3gvk h THR 850 Ca -0.00 -0.81 0.00 0.00 -0.55 0.00 0.00 66.41 65.05 3gvk h THR 850 Cb 0.49 1.73 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 3gvk h THR 850 CO 0.02 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.90 3gvk n GLY 851 N 1.19 0.74 3.77 5.82 0.00 -1.17 -3.89 105.19 111.63 3gvk n GLY 851 Ca 0.04 -0.95 -0.40 0.00 0.00 0.00 0.00 46.02 44.71 3gvk n GLY 851 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gvk s ALA 852 N -2.00 3.22 0.04 4.61 0.00 -1.26 -4.66 121.76 121.71 3gvk s ALA 852 Ca 0.00 1.45 0.04 0.00 0.00 0.00 0.00 51.96 53.45 3gvk s ALA 852 Cb 0.00 -3.58 -0.02 0.00 0.00 0.00 0.00 23.12 19.52 3gvk s ALA 852 CO 0.00 -1.18 -0.12 -0.65 0.00 0.00 0.00 175.76 173.81 3gvk s GLN 853 N -2.46 0.77 -0.08 0.00 -0.21 -0.17 -0.98 119.66 116.52 3gvk s GLN 853 Ca 0.61 -0.72 0.02 0.00 0.02 0.00 0.00 55.36 55.30 3gvk s GLN 853 Cb -0.43 -0.72 0.01 0.00 1.00 0.00 0.00 33.01 32.87 3gvk s GLN 853 CO 0.55 0.17 -0.14 0.42 -2.12 0.00 0.00 175.29 174.18 3gvk s ILE 854 N -0.94 1.31 -0.16 1.08 1.01 -0.58 -0.36 121.20 122.57 3gvk s ILE 854 Ca -0.02 -0.56 0.01 0.00 0.00 0.00 0.00 60.65 60.08 3gvk s ILE 854 Cb -0.08 -1.20 0.01 0.00 0.01 0.00 0.00 42.46 41.20 3gvk s ILE 854 CO 0.01 0.40 -0.18 -0.89 0.00 0.00 0.00 174.94 174.27 3gvk s THR 855 N 0.78 2.31 -0.26 2.92 2.01 -0.36 -1.05 115.64 121.99 3gvk s THR 855 Ca -0.12 -0.88 -0.10 0.00 0.31 0.00 0.00 61.69 60.90 3gvk s THR 855 Cb -0.16 -1.96 -0.04 0.00 0.01 0.00 0.00 72.50 70.35 3gvk s THR 855 CO 0.02 0.53 0.15 -0.76 -0.69 0.00 0.00 174.62 173.87 3gvk s LEU 856 N 0.99 3.88 -0.05 4.42 1.43 -0.65 -2.24 118.68 126.47 3gvk s LEU 856 Ca -0.02 -0.04 -0.15 0.00 -1.03 0.00 0.00 54.13 52.88 3gvk s LEU 856 Cb -0.15 -2.06 -0.05 0.00 0.03 0.00 0.00 46.19 43.96 3gvk s LEU 856 CO -0.05 -0.02 0.41 -0.31 0.23 0.00 0.00 176.35 176.61 3gvk s TYR 857 N 1.59 3.65 0.90 0.29 2.02 -0.09 -1.55 117.35 124.16 3gvk s TYR 857 Ca 0.07 0.93 -0.12 0.00 -0.37 0.00 0.00 57.07 57.57 3gvk s TYR 857 Cb -0.15 -2.36 0.13 0.00 -0.40 0.00 0.00 41.96 39.17 3gvk s TYR 857 CO 0.08 0.48 1.10 0.20 -1.57 0.00 0.00 175.55 175.84 3gvk s GLY 858 N -0.49 1.60 0.43 0.71 0.00 -0.03 -3.40 107.32 106.14 3gvk s GLY 858 Ca 0.23 -0.23 0.21 0.00 0.00 0.00 0.00 44.72 44.93 3gvk s GLY 858 CO 0.12 0.28 1.89 0.00 0.00 0.00 0.00 173.10 175.38 3gvk h ALA 859 N -1.50 1.21 0.00 3.20 0.00 -1.93 -2.41 119.26 117.83 3gvk h ALA 859 Ca -0.50 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.17 3gvk h ALA 859 Cb 1.30 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3gvk h ALA 859 CO 0.57 0.33 0.00 -0.91 0.00 0.00 0.00 179.25 179.25 3gvk h ASN 860 N 0.00 0.00 -4.05 0.00 2.35 -1.90 -3.44 115.58 108.54 3gvk h ASN 860 Ca -0.00 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 55.21 3gvk h ASN 860 Cb 0.61 0.00 0.12 0.00 0.05 0.00 0.00 38.32 39.11 3gvk h ASN 860 CO 0.03 0.00 0.57 0.21 -1.65 0.00 0.00 177.43 176.60 3gvk s ASN 861 N -4.79 5.40 0.24 5.81 3.84 -0.97 -3.81 114.94 120.65 3gvk s ASN 861 Ca 0.07 2.65 -0.07 0.00 0.21 0.00 0.00 52.86 55.72 3gvk s ASN 861 Cb 0.10 -2.63 0.41 0.00 -0.55 0.00 0.00 41.25 38.58 3gvk s ASN 861 CO 0.54 -1.47 1.66 0.74 -2.79 0.00 0.00 177.10 175.77 3gvk h THR 862 N 1.45 0.43 -2.67 -5.21 2.02 -1.56 -2.80 112.91 104.56 3gvk h THR 862 Ca -0.51 -0.05 -0.75 0.00 0.77 0.00 0.00 66.41 65.87 3gvk h THR 862 Cb 1.29 0.26 -0.21 0.00 -1.74 0.00 0.00 68.15 67.76 3gvk h THR 862 CO 0.57 0.03 0.99 -1.81 0.37 0.00 0.00 175.52 175.67 3gvk s ASP 863 N -5.21 7.09 0.04 4.18 1.01 -1.26 -5.01 116.67 117.50 3gvk s ASP 863 Ca -0.13 -3.06 -0.30 0.00 0.71 0.00 0.00 52.55 49.76 3gvk s ASP 863 Cb 0.21 -2.34 -0.08 0.00 1.01 0.00 0.00 42.92 41.73 3gvk s ASP 863 CO 0.75 -0.64 1.68 -0.55 0.21 0.00 0.00 175.17 176.62 3gvk s SER 864 N 2.45 6.61 -1.97 0.27 0.15 -1.06 -2.54 113.70 117.60 3gvk s SER 864 Ca 0.37 2.44 0.00 0.00 0.70 0.00 0.00 55.95 59.46 3gvk s SER 864 Cb -0.05 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 3gvk s SER 864 CO -0.04 -0.91 0.00 0.54 1.20 0.00 0.00 173.24 174.04 3gvk n ARG 865 N 6.15 -1.43 -2.04 5.44 1.74 -0.95 -4.96 116.66 120.61 3gvk n ARG 865 Ca 0.17 1.12 -0.37 0.00 -0.77 0.00 0.00 57.85 57.99 3gvk n ARG 865 Cb 0.41 -5.54 0.02 0.00 -1.02 0.00 0.00 32.46 26.33 3gvk n ARG 865 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3gvk s ARG 866 N -4.07 3.41 -0.10 5.56 3.52 -1.05 -4.78 118.95 121.44 3gvk s ARG 866 Ca 0.00 1.96 0.02 0.00 -0.13 0.00 0.00 55.73 57.58 3gvk s ARG 866 Cb 0.00 -2.28 0.01 0.00 -1.56 0.00 0.00 34.95 31.12 3gvk s ARG 866 CO 0.00 -0.89 -0.15 0.42 -0.81 0.00 0.00 175.30 173.87 3gvk s ILE 867 N -1.46 1.44 -0.20 4.11 1.01 -1.26 -0.91 121.20 123.93 3gvk s ILE 867 Ca 0.69 -0.62 -0.03 0.00 0.00 0.00 0.00 60.65 60.68 3gvk s ILE 867 Cb -0.33 -1.31 -0.01 0.00 0.01 0.00 0.00 42.46 40.81 3gvk s ILE 867 CO 0.39 0.43 -0.05 -0.69 0.00 0.00 0.00 174.94 175.02 3gvk s VAL 868 N 0.88 3.42 -0.25 2.92 1.01 -0.95 -4.99 120.40 122.44 3gvk s VAL 868 Ca -0.09 -0.49 -0.07 0.00 0.00 0.00 0.00 61.98 61.33 3gvk s VAL 868 Cb -0.15 -2.53 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 3gvk s VAL 868 CO 0.00 0.44 0.05 -0.31 0.00 0.00 0.00 175.10 175.29 3gvk s TYR 869 N 1.18 3.06 -0.34 5.22 2.02 -1.26 -1.22 117.35 126.01 3gvk s TYR 869 Ca 0.02 -0.57 -0.00 0.00 -0.37 0.00 0.00 57.07 56.15 3gvk s TYR 869 Cb -0.14 -2.21 0.11 0.00 -0.40 0.00 0.00 41.96 39.31 3gvk s TYR 869 CO -0.01 -0.42 0.13 1.21 -1.57 0.00 0.00 175.55 174.89 3gvk s ASN 870 N 1.58 3.92 0.18 2.29 2.47 0.52 -5.02 114.94 120.87 3gvk s ASN 870 Ca 0.06 -1.86 -0.01 0.00 0.42 0.00 0.00 52.86 51.47 3gvk s ASN 870 Cb -0.15 -0.89 -0.04 0.00 -1.45 0.00 0.00 41.25 38.72 3gvk s ASN 870 CO 0.02 -0.38 0.10 -0.83 -3.72 0.00 0.00 177.10 172.29 3gvk s GLY 871 N 1.34 1.28 0.00 1.21 0.00 -1.26 -1.00 107.32 108.89 3gvk s GLY 871 Ca 0.12 -1.62 0.28 0.00 0.00 0.00 0.00 44.72 43.50 3gvk s GLY 871 CO -0.19 -1.39 1.75 1.22 0.00 0.00 0.00 173.10 174.49 3gvk n ASP 872 N -0.21 0.65 -3.77 1.64 8.00 -1.26 -4.74 116.55 116.86 3gvk n ASP 872 Ca -0.01 -0.65 -0.13 0.00 0.71 0.00 0.00 54.79 54.72 3gvk n ASP 872 Cb 0.65 -0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.63 3gvk n ASP 872 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3gvk s GLU 873 N -2.51 0.30 -0.32 -1.24 2.02 -1.26 -5.12 118.70 110.57 3gvk s GLU 873 Ca 0.27 0.39 0.03 0.00 0.02 0.00 0.00 54.97 55.68 3gvk s GLU 873 Cb 0.20 0.12 0.09 0.00 0.10 0.00 0.00 34.13 34.63 3gvk s GLU 873 CO 0.50 -0.05 0.02 -1.01 0.02 0.00 0.00 175.26 174.74 3gvk s HIS 874 N 0.29 3.41 -0.30 1.61 3.76 -1.26 -5.07 115.29 117.73 3gvk s HIS 874 Ca -0.01 -2.70 -0.03 0.00 -0.15 0.00 0.00 55.06 52.17 3gvk s HIS 874 Cb -0.03 -2.57 0.04 0.00 1.11 0.00 0.00 32.58 31.13 3gvk s HIS 874 CO -0.01 -0.92 0.01 -0.51 -0.85 0.00 0.00 174.74 172.46 3gvk s LEU 875 N 1.03 3.81 -0.43 0.89 1.43 -1.26 -5.08 118.68 119.08 3gvk s LEU 875 Ca 0.07 -1.13 -0.18 0.00 -1.03 0.00 0.00 54.13 51.85 3gvk s LEU 875 Cb -0.19 -1.74 0.03 0.00 0.03 0.00 0.00 46.19 44.32 3gvk s LEU 875 CO -0.09 -0.24 0.50 -0.36 0.23 0.00 0.00 176.35 176.39 3gvk s PHE 876 N 1.31 3.14 0.02 0.29 0.08 -1.26 -5.06 117.98 116.50 3gvk s PHE 876 Ca -0.03 -0.33 0.00 0.00 0.12 0.00 0.00 56.93 56.70 3gvk s PHE 876 Cb -0.19 -3.05 -0.04 0.00 -0.57 0.00 0.00 43.02 39.18 3gvk s PHE 876 CO -0.01 -0.77 0.10 -1.14 -0.10 0.00 0.00 175.22 173.30 3gvk s GLN 877 N 2.32 3.07 0.00 0.44 0.74 -1.26 -4.69 119.66 120.28 3gvk s GLN 877 Ca 0.14 -0.52 0.00 0.00 0.05 0.00 0.00 55.36 55.03 3gvk s GLN 877 Cb -0.17 -2.86 0.00 0.00 1.10 0.00 0.00 33.01 31.09 3gvk s GLN 877 CO 0.15 0.62 0.00 0.43 -0.55 0.00 0.00 175.29 175.94 3gvk n SER 878 N 0.91 0.00 -3.65 6.67 7.64 -1.26 -4.92 113.62 119.01 3gvk n SER 878 Ca -0.11 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.65 3gvk n SER 878 Cb 0.52 -0.33 -0.06 0.00 -1.01 0.00 0.00 64.21 63.33 3gvk n SER 878 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gvk s ALA 879 N -2.54 -1.03 0.57 -0.43 0.00 -1.26 -5.15 121.76 111.92 3gvk s ALA 879 Ca 0.00 0.26 -0.19 0.00 0.00 0.00 0.00 51.96 52.03 3gvk s ALA 879 Cb 0.00 0.43 -0.06 0.00 0.00 0.00 0.00 23.12 23.49 3gvk s ALA 879 CO 0.00 -0.51 0.88 -0.25 0.00 0.00 0.00 175.76 175.89 3gvk n ASP 880 N 0.33 0.48 -4.52 0.00 8.00 -1.26 -4.98 116.55 114.60 3gvk n ASP 880 Ca -0.18 0.82 -0.43 0.00 0.71 0.00 0.00 54.79 55.72 3gvk n ASP 880 Cb 0.61 -1.34 -0.06 0.00 -0.02 0.00 0.00 41.12 40.31 3gvk n ASP 880 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3gvk s VAL 881 N -1.52 4.72 0.13 2.53 1.01 -1.26 -5.05 120.40 120.95 3gvk s VAL 881 Ca 0.73 0.23 0.10 0.00 0.00 0.00 0.00 61.98 63.03 3gvk s VAL 881 Cb -0.44 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.61 3gvk s VAL 881 CO 0.50 -0.71 -0.23 -0.54 0.00 0.00 0.00 175.10 174.12 3gvk s LYS 882 N 3.11 1.28 0.49 2.72 1.02 -1.26 -5.13 119.74 121.97 3gvk s LYS 882 Ca 0.26 -1.30 -0.19 0.00 0.02 0.00 0.00 55.97 54.76 3gvk s LYS 882 Cb -0.13 -1.61 -0.08 0.00 -0.52 0.00 0.00 37.83 35.49 3gvk s LYS 882 CO 0.20 0.37 1.02 -1.25 -0.92 0.00 0.00 175.35 174.77 3gvk s PRO 883 N -2.16 3.82 0.17 -1.68 0.04 -1.26 -4.97 135.00 128.95 3gvk s PRO 883 Ca 0.12 1.26 -0.11 0.00 0.04 0.00 0.00 61.00 62.31 3gvk s PRO 883 Cb -0.09 -2.10 0.06 0.00 0.04 0.00 0.00 34.50 32.40 3gvk s PRO 883 CO 0.06 -0.40 1.66 -0.92 0.04 0.00 0.00 177.00 177.43 3gvk h TYR 884 N 1.41 1.03 -1.71 0.56 3.20 -2.00 -3.45 116.97 116.00 3gvk h TYR 884 Ca -0.49 -0.15 -0.49 0.00 3.14 0.00 0.00 58.73 60.75 3gvk h TYR 884 Cb 1.21 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 39.17 3gvk h TYR 884 CO 0.59 0.90 -0.41 -0.80 -1.64 0.00 0.00 178.16 176.79 3gvk s ASN 885 N -6.36 5.23 -0.27 -2.11 -0.87 -1.26 -5.10 114.94 104.20 3gvk s ASN 885 Ca -0.12 -0.57 -0.12 0.00 -1.57 0.00 0.00 52.86 50.47 3gvk s ASN 885 Cb 0.13 -0.82 -0.05 0.00 -0.02 0.00 0.00 41.25 40.49 3gvk s ASN 885 CO 0.83 -0.48 0.24 -0.62 -2.57 0.00 0.00 177.10 174.50 3gvk s ASP 886 N -4.06 6.10 -1.27 -1.22 2.15 -1.26 -4.46 116.67 112.64 3gvk s ASP 886 Ca 0.44 0.09 -0.07 0.00 0.43 0.00 0.00 52.55 53.44 3gvk s ASP 886 Cb -0.05 -2.14 0.01 0.00 -0.30 0.00 0.00 42.92 40.43 3gvk s ASP 886 CO 0.27 -0.07 1.11 -3.20 -0.17 0.00 0.00 175.17 173.11 3gvk n ASN 887 N 5.03 -5.56 0.00 -0.34 5.15 -1.26 -4.90 115.26 113.38 3gvk n ASN 887 Ca -0.13 -0.53 0.00 0.00 -0.60 0.00 0.00 54.58 53.33 3gvk n ASN 887 Cb 0.52 -4.84 0.00 0.00 -0.53 0.00 0.00 39.78 34.93 3gvk n ASN 887 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 3gvk n VAL 888 N -4.76 0.00 -4.35 3.44 0.31 -1.26 -5.09 118.33 106.62 3gvk n VAL 888 Ca -0.03 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.05 3gvk n VAL 888 Cb 0.57 -0.74 -0.09 0.00 -0.91 0.00 0.00 33.84 32.68 3gvk n VAL 888 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3gvk s THR 889 N -1.98 3.07 0.34 2.52 -4.23 -1.26 -5.15 115.64 108.95 3gvk s THR 889 Ca 0.00 -1.98 0.08 0.00 -1.18 0.00 0.00 61.69 58.62 3gvk s THR 889 Cb 0.00 -2.59 -0.04 0.00 1.34 0.00 0.00 72.50 71.21 3gvk s THR 889 CO 0.00 -0.29 0.14 0.00 -0.54 0.00 0.00 174.62 173.93 3gvk s ALA 890 N -2.16 3.50 -0.30 3.99 0.00 -1.26 -5.02 121.76 120.50 3gvk s ALA 890 Ca 0.29 -1.81 -0.17 0.00 0.00 0.00 0.00 51.96 50.27 3gvk s ALA 890 Cb -0.07 -0.75 -0.02 0.00 0.00 0.00 0.00 23.12 22.28 3gvk s ALA 890 CO 0.17 0.05 0.46 -0.51 0.00 0.00 0.00 175.76 175.92 3gvk s LEU 891 N -3.84 4.16 0.00 0.00 1.43 -1.26 -4.98 118.68 114.19 3gvk s LEU 891 Ca 0.37 0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.70 3gvk s LEU 891 Cb -0.03 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.65 3gvk s LEU 891 CO 0.23 -0.32 0.00 0.61 0.23 0.00 0.00 176.35 177.10 3gvk n GLY 892 N 4.65 -1.41 3.79 -3.19 0.00 -1.26 -4.93 105.19 102.83 3gvk n GLY 892 Ca -0.06 -1.22 -0.04 0.00 0.00 0.00 0.00 46.02 44.70 3gvk n GLY 892 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gvk s GLY 893 N -2.83 -0.15 0.51 -0.02 0.00 -0.51 -4.96 107.32 99.37 3gvk s GLY 893 Ca 0.00 -0.03 0.20 0.00 0.00 0.00 0.00 44.72 44.89 3gvk s GLY 893 CO 0.00 0.22 2.04 -2.55 0.00 0.00 0.00 173.10 172.80 3gvk h PRO 894 N 2.00 0.08 -0.22 2.90 0.11 -2.01 -0.73 132.00 134.13 3gvk h PRO 894 Ca -0.24 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3gvk h PRO 894 Cb 1.23 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3gvk h PRO 894 CO 0.27 0.05 0.00 0.43 -0.21 0.00 0.00 178.00 178.54 3gvk n SER 895 N -4.44 2.75 -3.19 -2.05 7.64 -1.26 -4.61 113.62 108.46 3gvk n SER 895 Ca 0.06 -1.81 -0.21 0.00 1.01 0.00 0.00 58.87 57.93 3gvk n SER 895 Cb 0.41 -0.14 -0.05 0.00 -1.01 0.00 0.00 64.21 63.43 3gvk n SER 895 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3gvk n ASN 896 N 0.91 0.73 -4.76 6.43 3.02 -0.31 -5.12 115.26 116.16 3gvk n ASN 896 Ca 0.12 -2.91 -0.40 0.00 -0.03 0.00 0.00 54.58 51.36 3gvk n ASN 896 Cb 0.44 -0.63 -0.06 0.00 -0.61 0.00 0.00 39.78 38.93 3gvk n ASN 896 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3gvk s ARG 897 N -1.97 4.62 0.35 3.52 0.52 -1.03 -1.42 118.95 123.54 3gvk s ARG 897 Ca 0.38 1.23 -0.25 0.00 -0.52 0.00 0.00 55.73 56.57 3gvk s ARG 897 Cb 0.27 -3.29 -0.10 0.00 0.52 0.00 0.00 34.95 32.36 3gvk s ARG 897 CO -0.09 0.50 0.99 -0.06 0.02 0.00 0.00 175.30 176.66 3gvk s PHE 898 N -0.94 3.52 0.23 -0.53 0.08 -1.26 -4.97 117.98 114.12 3gvk s PHE 898 Ca 0.38 1.72 -0.06 0.00 0.12 0.00 0.00 56.93 59.09 3gvk s PHE 898 Cb -0.23 -3.02 0.30 0.00 -0.57 0.00 0.00 43.02 39.49 3gvk s PHE 898 CO 0.27 -0.15 1.86 1.79 -0.10 0.00 0.00 175.22 178.89 3gvk h THR 899 N 2.48 1.07 -2.30 0.64 1.35 -2.04 -3.47 112.91 110.65 3gvk h THR 899 Ca -0.47 -0.34 0.17 0.00 -0.55 0.00 0.00 66.41 65.22 3gvk h THR 899 Cb 1.20 0.00 -0.03 0.00 -1.73 0.00 0.00 68.15 67.59 3gvk h THR 899 CO 0.64 0.18 0.56 1.07 -0.25 0.00 0.00 175.52 177.72 3gvk n THR 900 N -4.61 0.00 -4.42 6.82 5.66 -1.26 -5.16 114.28 111.31 3gvk n THR 900 Ca 0.11 -0.39 -0.25 0.00 -3.05 0.00 0.00 64.05 60.47 3gvk n THR 900 Cb 0.14 0.61 -0.17 0.00 -1.55 0.00 0.00 70.33 69.36 3gvk n THR 900 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3gvk s ALA 901 N -1.86 1.28 -0.37 1.79 0.00 -1.26 -5.11 121.76 116.23 3gvk s ALA 901 Ca 0.21 -0.45 -0.20 0.00 0.00 0.00 0.00 51.96 51.52 3gvk s ALA 901 Cb -0.02 -0.65 0.00 0.00 0.00 0.00 0.00 23.12 22.45 3gvk s ALA 901 CO 0.03 -0.01 0.60 0.71 0.00 0.00 0.00 175.76 177.09 3gvk s TYR 902 N 0.91 3.15 0.14 0.00 2.02 -1.26 -5.04 117.35 117.26 3gvk s TYR 902 Ca -0.10 0.22 0.06 0.00 -0.37 0.00 0.00 57.07 56.88 3gvk s TYR 902 Cb -0.15 -3.11 -0.04 0.00 -0.40 0.00 0.00 41.96 38.26 3gvk s TYR 902 CO 0.01 -0.64 -0.14 -0.51 -1.57 0.00 0.00 175.55 172.70 3gvk s LEU 903 N 2.63 2.44 0.00 -1.29 1.43 -1.26 -5.03 118.68 117.60 3gvk s LEU 903 Ca 0.22 -0.86 0.27 0.00 -1.03 0.00 0.00 54.13 52.73 3gvk s LEU 903 Cb -0.15 -0.55 0.81 0.00 0.03 0.00 0.00 46.19 46.34 3gvk s LEU 903 CO 0.15 -0.17 1.60 0.61 0.23 0.00 0.00 176.35 178.77 3gvk n GLY 904 N 0.32 -0.36 3.73 -3.19 0.00 -1.26 -4.94 105.19 99.49 3gvk n GLY 904 Ca -0.14 -0.43 -0.06 0.00 0.00 0.00 0.00 46.02 45.39 3gvk n GLY 904 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gvk s SER 905 N -2.33 -0.26 0.68 1.61 1.04 -1.26 -5.16 113.70 108.02 3gvk s SER 905 Ca 0.29 -0.39 -0.16 0.00 0.48 0.00 0.00 55.95 56.17 3gvk s SER 905 Cb 0.20 0.57 0.01 0.00 0.10 0.00 0.00 66.02 66.90 3gvk s SER 905 CO 0.46 -1.02 1.22 0.20 0.98 0.00 0.00 173.24 175.08 3gvk s ASN 906 N -2.86 4.51 0.58 7.02 0.01 -1.26 -4.97 114.94 117.97 3gvk s ASN 906 Ca 0.10 2.41 -0.20 0.00 -0.71 0.00 0.00 52.86 54.46 3gvk s ASN 906 Cb -0.03 -2.60 -0.04 0.00 0.41 0.00 0.00 41.25 38.99 3gvk s ASN 906 CO 0.01 -2.06 1.15 -2.65 -1.51 0.00 0.00 177.10 172.05 3gvk n PRO 907 N -2.31 1.21 -3.29 -0.60 -0.02 -1.26 -4.96 135.00 123.77 3gvk n PRO 907 Ca 0.14 0.46 -0.43 0.00 -2.02 0.00 0.00 63.50 61.65 3gvk n PRO 907 Cb 0.50 -2.35 -0.08 0.00 -0.02 0.00 0.00 33.50 31.54 3gvk n PRO 907 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3gvk s ILE 908 N -1.40 5.05 -0.25 4.25 1.01 -1.26 -5.04 121.20 123.56 3gvk s ILE 908 Ca 0.75 -0.36 -0.04 0.00 0.00 0.00 0.00 60.65 60.99 3gvk s ILE 908 Cb -0.42 -4.08 0.00 0.00 0.01 0.00 0.00 42.46 37.97 3gvk s ILE 908 CO 0.47 -0.48 -0.00 -0.69 0.00 0.00 0.00 174.94 174.24 3gvk s VAL 909 N 2.21 3.49 0.00 2.92 1.01 -1.26 -5.29 120.40 123.48 3gvk s VAL 909 Ca 0.13 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.46 3gvk s VAL 909 Cb -0.17 -2.70 0.00 0.00 0.00 0.00 0.00 36.38 33.51 3gvk s VAL 909 CO 0.14 0.27 0.11 0.35 0.00 0.00 0.00 175.10 175.97