#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gvj s PRO 242 N 0.00 4.29 0.16 5.55 0.04 -1.26 -5.07 135.00 138.71 3gvj s PRO 242 Ca 0.00 2.17 0.03 0.00 0.04 0.00 0.00 61.00 63.24 3gvj s PRO 242 Cb 0.00 -3.00 -0.04 0.00 0.04 0.00 0.00 34.50 31.50 3gvj s PRO 242 CO 0.00 -0.23 0.26 1.03 0.04 0.00 0.00 177.00 178.10 3gvj s ARG 243 N -1.88 3.31 0.00 4.56 0.52 -1.26 -5.07 118.95 119.13 3gvj s ARG 243 Ca 0.50 -0.68 0.00 0.00 -0.52 0.00 0.00 55.73 55.04 3gvj s ARG 243 Cb -0.39 -2.88 0.00 0.00 0.52 0.00 0.00 34.95 32.20 3gvj s ARG 243 CO 0.51 0.50 0.00 0.41 0.02 0.00 0.00 175.30 176.74 3gvj n GLY 244 N -0.58 0.57 3.58 -3.53 0.00 -1.26 -5.12 105.19 98.85 3gvj n GLY 244 Ca -0.07 -0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 3gvj n GLY 244 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gvj s SER 245 N -0.96 4.49 0.06 1.61 1.04 -1.26 -4.65 113.70 114.03 3gvj s SER 245 Ca 0.00 -0.26 -0.31 0.00 0.48 0.00 0.00 55.95 55.86 3gvj s SER 245 Cb 0.00 -0.96 -0.07 0.00 0.10 0.00 0.00 66.02 65.10 3gvj s SER 245 CO 0.00 0.23 1.41 0.00 0.98 0.00 0.00 173.24 175.86 3gvj s ALA 246 N -1.09 3.58 -0.04 5.32 0.00 -1.26 -4.93 121.76 123.34 3gvj s ALA 246 Ca 0.19 1.00 0.01 0.00 0.00 0.00 0.00 51.96 53.16 3gvj s ALA 246 Cb -0.11 -3.57 -0.26 0.00 0.00 0.00 0.00 23.12 19.18 3gvj s ALA 246 CO 0.10 -0.78 0.68 0.87 0.00 0.00 0.00 175.76 176.64 3gvj h LYS 247 N 7.40 0.17 -5.98 0.00 1.79 -1.94 -3.49 116.57 114.51 3gvj h LYS 247 Ca -0.40 -0.29 -0.41 0.00 -2.18 0.00 0.00 60.65 57.36 3gvj h LYS 247 Cb 1.19 0.11 0.08 0.00 -1.58 0.00 0.00 32.23 32.04 3gvj h LYS 247 CO 0.88 0.95 -0.74 0.41 -1.08 0.00 0.00 179.45 179.88 3gvj n GLY 248 N 1.71 -0.47 0.54 3.86 0.00 -1.26 -4.90 105.19 104.68 3gvj n GLY 248 Ca -0.20 0.20 0.05 0.00 0.00 0.00 0.00 46.02 46.07 3gvj n GLY 248 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gvj n ASP 249 N -2.99 2.50 0.00 1.61 5.68 -1.15 -3.98 116.55 118.23 3gvj n ASP 249 Ca -0.07 -1.78 0.00 0.00 -0.50 0.00 0.00 54.79 52.43 3gvj n ASP 249 Cb 0.58 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 40.43 3gvj n ASP 249 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gvj n GLY 250 N 0.53 0.37 1.16 6.12 0.00 -0.56 -4.72 105.19 108.09 3gvj n GLY 250 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3gvj n GLY 250 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3gvj n VAL 251 N -2.14 0.70 -1.74 1.61 0.31 -1.26 -4.61 118.33 111.20 3gvj n VAL 251 Ca 0.00 0.23 -0.42 0.00 -0.01 0.00 0.00 64.34 64.14 3gvj n VAL 251 Cb 0.09 -1.42 -0.02 0.00 -0.91 0.00 0.00 33.84 31.58 3gvj n VAL 251 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3gvj n THR 252 N -3.30 0.72 -2.16 2.52 -1.04 -1.26 -4.90 114.28 104.86 3gvj n THR 252 Ca 0.00 -0.18 -0.40 0.00 -2.04 0.00 0.00 64.05 61.43 3gvj n THR 252 Cb 0.15 -1.95 -0.03 0.00 -1.82 0.00 0.00 70.33 66.68 3gvj n THR 252 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3gvj s ASP 253 N 0.69 5.70 0.00 8.00 2.15 -1.26 -4.13 116.67 127.81 3gvj s ASP 253 Ca 0.67 0.49 0.16 0.00 0.43 0.00 0.00 52.55 54.31 3gvj s ASP 253 Cb -0.50 -2.53 0.48 0.00 -0.30 0.00 0.00 42.92 40.06 3gvj s ASP 253 CO 0.44 -2.01 1.39 0.47 -0.17 0.00 0.00 175.17 175.28 3gvj n ASP 254 N 11.13 2.42 -0.07 -0.34 8.00 -0.35 -4.48 116.55 132.85 3gvj n ASP 254 Ca 0.18 -1.95 -0.07 0.00 0.71 0.00 0.00 54.79 53.66 3gvj n ASP 254 Cb 0.50 -0.27 -0.01 0.00 -0.02 0.00 0.00 41.12 41.33 3gvj n ASP 254 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 3gvj h THR 255 N 2.77 0.81 -0.37 -3.53 2.02 -1.89 -2.09 112.91 110.64 3gvj h THR 255 Ca 0.00 -0.03 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 3gvj h THR 255 Cb 0.63 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 3gvj h THR 255 CO 0.00 0.02 0.16 0.00 0.37 0.00 0.00 175.52 176.06 3gvj h ALA 256 N 1.23 0.48 -0.49 6.16 0.00 -1.96 -1.80 119.26 122.87 3gvj h ALA 256 Ca 0.13 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3gvj h ALA 256 Cb 0.17 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3gvj h ALA 256 CO -0.21 0.06 0.23 0.00 0.00 0.00 0.00 179.25 179.33 3gvj h ALA 257 N 1.01 0.64 -0.44 0.00 0.00 -1.77 -1.64 119.26 117.04 3gvj h ALA 257 Ca 0.12 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 3gvj h ALA 257 Cb 0.16 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3gvj h ALA 257 CO -0.01 0.21 -0.19 -0.07 0.00 0.00 0.00 179.25 179.18 3gvj h LEU 258 N 0.65 0.89 -0.43 0.00 3.38 -1.31 -1.10 115.31 117.39 3gvj h LEU 258 Ca 0.17 -0.31 0.01 0.00 0.09 0.00 0.00 57.88 57.84 3gvj h LEU 258 Cb 0.13 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3gvj h LEU 258 CO -0.02 1.06 0.26 0.74 0.09 0.00 0.00 178.44 180.57 3gvj h THR 259 N 0.77 1.06 -0.03 0.22 2.02 -1.08 -0.34 112.91 115.53 3gvj h THR 259 Ca 0.11 -0.18 0.01 0.00 0.77 0.00 0.00 66.41 67.12 3gvj h THR 259 Cb 0.73 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 3gvj h THR 259 CO 0.06 0.10 -0.04 -1.28 0.37 0.00 0.00 175.52 174.72 3gvj h SER 260 N 0.53 -0.13 -0.73 4.18 0.87 -1.19 -1.17 113.55 115.90 3gvj h SER 260 Ca 0.17 0.03 0.04 0.00 -1.23 0.00 0.00 61.79 60.79 3gvj h SER 260 Cb -0.01 0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 61.96 3gvj h SER 260 CO -0.07 -0.06 0.45 0.00 -0.53 0.00 0.00 176.83 176.62 3gvj h ALA 261 N 0.96 0.97 -0.48 6.23 0.00 -0.95 -1.20 119.26 124.79 3gvj h ALA 261 Ca 0.03 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 3gvj h ALA 261 Cb 0.10 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3gvj h ALA 261 CO -0.07 0.21 -0.10 -0.07 0.00 0.00 0.00 179.25 179.22 3gvj h LEU 262 N 0.86 0.86 -1.12 0.00 3.38 -0.86 -2.28 115.31 116.15 3gvj h LEU 262 Ca 0.31 -0.26 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 3gvj h LEU 262 Cb 0.08 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3gvj h LEU 262 CO -0.13 0.98 -0.40 0.78 0.09 0.00 0.00 178.44 179.75 3gvj h ASN 263 N 0.78 0.09 0.55 -0.43 2.35 -0.74 -3.21 115.58 114.97 3gvj h ASN 263 Ca 0.13 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 3gvj h ASN 263 Cb 0.61 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.95 3gvj h ASN 263 CO 0.04 0.48 -0.89 0.47 -1.65 0.00 0.00 177.43 175.88 3gvj n ASP 264 N -4.05 0.63 -4.11 5.81 8.00 -0.50 -4.92 116.55 117.41 3gvj n ASP 264 Ca -0.02 -0.12 -0.24 0.00 0.71 0.00 0.00 54.79 55.12 3gvj n ASP 264 Cb 0.44 0.59 -0.16 0.00 -0.02 0.00 0.00 41.12 41.98 3gvj n ASP 264 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3gvj s THR 265 N -3.18 1.22 0.27 -3.53 -4.23 -0.88 -5.06 115.64 100.25 3gvj s THR 265 Ca 0.05 -0.63 -0.30 0.00 -1.18 0.00 0.00 61.69 59.64 3gvj s THR 265 Cb 0.14 -1.04 -0.14 0.00 1.34 0.00 0.00 72.50 72.81 3gvj s THR 265 CO 0.77 0.35 1.19 -2.65 -0.54 0.00 0.00 174.62 173.74 3gvj n PRO 266 N 2.97 1.63 0.27 3.99 -0.02 -1.26 -4.89 135.00 137.70 3gvj n PRO 266 Ca -0.16 0.58 0.13 0.00 -2.02 0.00 0.00 63.50 62.02 3gvj n PRO 266 Cb 0.54 -2.08 0.83 0.00 -0.02 0.00 0.00 33.50 32.77 3gvj n PRO 266 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 3gvj h VAL 267 N 2.47 0.67 -0.00 -1.45 -1.51 -1.98 -1.96 116.25 112.48 3gvj h VAL 267 Ca -0.43 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.04 3gvj h VAL 267 Cb 1.31 0.98 0.00 0.00 -2.13 0.00 0.00 31.29 31.46 3gvj h VAL 267 CO 0.66 0.00 -0.14 0.61 -1.23 0.00 0.00 177.57 177.47 3gvj n GLY 268 N -1.40 -1.25 3.74 5.19 0.00 -1.26 -4.85 105.19 105.35 3gvj n GLY 268 Ca -0.02 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 3gvj n GLY 268 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3gvj s GLN 269 N -2.79 4.39 -0.37 1.61 2.00 -0.74 -5.00 119.66 118.76 3gvj s GLN 269 Ca 0.19 2.05 -0.23 0.00 -2.00 0.00 0.00 55.36 55.38 3gvj s GLN 269 Cb 0.19 -3.20 0.01 0.00 0.80 0.00 0.00 33.01 30.82 3gvj s GLN 269 CO 0.54 -0.25 0.77 0.15 -0.50 0.00 0.00 175.29 176.00 3gvj s LYS 270 N -0.10 3.73 -0.33 1.67 -0.14 -1.26 -4.83 119.74 118.48 3gvj s LYS 270 Ca 0.57 0.28 -0.25 0.00 -1.36 0.00 0.00 55.97 55.20 3gvj s LYS 270 Cb -0.36 -3.81 0.01 0.00 -1.68 0.00 0.00 37.83 31.98 3gvj s LYS 270 CO 0.38 -0.85 0.90 0.42 -0.76 0.00 0.00 175.35 175.43 3gvj s ILE 271 N 3.08 4.66 -0.29 2.17 1.01 -0.06 -4.76 121.20 127.01 3gvj s ILE 271 Ca 0.31 1.28 -0.22 0.00 0.00 0.00 0.00 60.65 62.03 3gvj s ILE 271 Cb -0.13 -4.27 -0.01 0.00 0.01 0.00 0.00 42.46 38.06 3gvj s ILE 271 CO 0.17 -0.41 0.69 0.21 0.00 0.00 0.00 174.94 175.60 3gvj s ASN 272 N 1.73 6.59 0.00 3.58 3.84 -1.26 -1.08 114.94 128.34 3gvj s ASN 272 Ca 0.37 0.61 0.31 0.00 0.21 0.00 0.00 52.86 54.36 3gvj s ASN 272 Cb -0.13 -2.36 1.70 0.00 -0.55 0.00 0.00 41.25 39.91 3gvj s ASN 272 CO 0.16 -0.50 2.12 0.61 -2.79 0.00 0.00 177.10 176.69 3gvj n GLY 273 N 4.24 -0.86 2.44 1.21 0.00 -0.66 -4.91 105.19 106.64 3gvj n GLY 273 Ca 0.01 -0.24 -0.18 0.00 0.00 0.00 0.00 46.02 45.61 3gvj n GLY 273 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3gvj n ASN 274 N -0.84 -5.29 0.00 1.61 3.02 -1.15 -2.31 115.26 110.31 3gvj n ASN 274 Ca 0.22 0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.80 3gvj n ASN 274 Cb 0.17 -4.42 0.00 0.00 -0.61 0.00 0.00 39.78 34.92 3gvj n ASN 274 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gvj n GLY 275 N -0.97 0.42 3.94 7.41 0.00 -0.26 -5.02 105.19 110.72 3gvj n GLY 275 Ca -0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.57 3gvj n GLY 275 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gvj s LYS 276 N -0.38 3.04 -0.18 1.61 1.02 -0.98 -4.85 119.74 119.02 3gvj s LYS 276 Ca 0.00 -0.36 -0.03 0.00 0.02 0.00 0.00 55.97 55.60 3gvj s LYS 276 Cb 0.00 -2.48 -0.02 0.00 -0.52 0.00 0.00 37.83 34.81 3gvj s LYS 276 CO 0.00 -0.37 -0.05 0.99 -0.92 0.00 0.00 175.35 174.99 3gvj s THR 277 N -2.67 3.59 -0.24 2.17 2.01 -1.26 -2.08 115.64 117.17 3gvj s THR 277 Ca 0.50 -0.45 -0.03 0.00 0.31 0.00 0.00 61.69 62.01 3gvj s THR 277 Cb -0.10 -2.59 0.01 0.00 0.01 0.00 0.00 72.50 69.83 3gvj s THR 277 CO 0.40 0.47 -0.03 -0.31 -0.69 0.00 0.00 174.62 174.45 3gvj s TYR 278 N 0.78 3.02 0.10 4.92 2.02 -0.06 -1.49 117.35 126.62 3gvj s TYR 278 Ca -0.02 -1.17 -0.30 0.00 -0.37 0.00 0.00 57.07 55.21 3gvj s TYR 278 Cb -0.15 -2.11 -0.06 0.00 -0.40 0.00 0.00 41.96 39.24 3gvj s TYR 278 CO 0.02 -0.62 1.15 0.21 -1.57 0.00 0.00 175.55 174.73 3gvj s LYS 279 N 1.43 4.50 0.07 -0.62 2.20 -1.26 -1.36 119.74 124.70 3gvj s LYS 279 Ca 0.03 1.72 0.00 0.00 -0.36 0.00 0.00 55.97 57.37 3gvj s LYS 279 Cb -0.15 -3.33 -0.04 0.00 -1.51 0.00 0.00 37.83 32.79 3gvj s LYS 279 CO -0.03 -0.13 -0.04 0.14 -0.36 0.00 0.00 175.35 174.93 3gvj s VAL 280 N 0.61 0.42 -0.58 4.02 -7.23 -0.82 -1.21 120.40 115.60 3gvj s VAL 280 Ca 0.55 -1.87 0.24 0.00 -1.81 0.00 0.00 61.98 59.09 3gvj s VAL 280 Cb -0.29 -1.60 0.04 0.00 0.56 0.00 0.00 36.38 35.09 3gvj s VAL 280 CO 0.31 -0.93 1.28 0.71 -0.31 0.00 0.00 175.10 176.16 3gvj h THR 281 N 3.06 0.00 -2.87 5.32 1.35 -1.96 -3.41 112.91 114.40 3gvj h THR 281 Ca -0.35 -0.57 -0.05 0.00 -0.55 0.00 0.00 66.41 64.90 3gvj h THR 281 Cb 1.15 1.13 -0.15 0.00 -1.73 0.00 0.00 68.15 68.56 3gvj h THR 281 CO 0.65 0.00 0.07 -0.94 -0.25 0.00 0.00 175.52 175.05 3gvj s SER 282 N -4.40 -0.45 0.16 5.36 1.04 -1.26 -4.92 113.70 109.23 3gvj s SER 282 Ca 0.05 0.09 -0.30 0.00 0.48 0.00 0.00 55.95 56.27 3gvj s SER 282 Cb 0.13 0.51 -0.08 0.00 0.10 0.00 0.00 66.02 66.68 3gvj s SER 282 CO 0.73 -0.79 1.32 -0.76 0.98 0.00 0.00 173.24 174.73 3gvj s LEU 283 N -2.22 4.40 0.00 2.42 1.43 -1.26 -5.03 118.68 118.43 3gvj s LEU 283 Ca -0.03 2.35 -0.02 0.00 -1.03 0.00 0.00 54.13 55.40 3gvj s LEU 283 Cb -0.00 -3.60 0.05 0.00 0.03 0.00 0.00 46.19 42.67 3gvj s LEU 283 CO -0.05 -0.56 0.34 -0.81 0.23 0.00 0.00 176.35 175.50 3gvj n PRO 284 N 3.10 0.05 -2.02 1.29 -0.04 -1.26 -4.91 135.00 131.21 3gvj n PRO 284 Ca 0.08 -0.72 -0.26 0.00 -0.04 0.00 0.00 63.50 62.55 3gvj n PRO 284 Cb 0.43 -0.29 -0.06 0.00 -0.04 0.00 0.00 33.50 33.54 3gvj n PRO 284 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3gvj s ASP 285 N -2.32 4.99 0.55 3.54 2.15 -1.26 -4.80 116.67 119.52 3gvj s ASP 285 Ca 0.21 -1.06 0.22 0.00 0.43 0.00 0.00 52.55 52.35 3gvj s ASP 285 Cb -0.01 -2.57 1.50 0.00 -0.30 0.00 0.00 42.92 41.54 3gvj s ASP 285 CO 0.14 -2.99 2.19 0.40 -0.17 0.00 0.00 175.17 174.74 3gvj h ILE 286 N 6.82 0.79 0.00 4.11 2.04 -1.96 -2.26 117.51 127.05 3gvj h ILE 286 Ca 0.14 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.00 3gvj h ILE 286 Cb 0.98 0.99 0.00 0.00 -0.74 0.00 0.00 36.82 38.05 3gvj h ILE 286 CO 1.20 0.00 0.00 -1.54 0.00 0.00 0.00 178.15 177.81 3gvj n SER 287 N -4.24 0.49 -0.54 1.72 3.41 -1.26 -1.64 113.62 111.56 3gvj n SER 287 Ca -0.03 0.68 0.13 0.00 -0.26 0.00 0.00 58.87 59.40 3gvj n SER 287 Cb 0.10 -0.76 0.35 0.00 -0.26 0.00 0.00 64.21 63.63 3gvj n SER 287 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3gvj n ARG 288 N -2.11 1.59 -4.50 4.33 1.74 -0.85 -4.90 116.66 111.96 3gvj n ARG 288 Ca 0.00 -1.08 -0.32 0.00 -0.77 0.00 0.00 57.85 55.68 3gvj n ARG 288 Cb 0.10 -1.48 -0.11 0.00 -1.02 0.00 0.00 32.46 29.95 3gvj n ARG 288 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3gvj s PHE 289 N -2.15 2.82 0.13 -1.55 0.40 -0.65 -0.88 117.98 116.10 3gvj s PHE 289 Ca 0.31 -0.08 0.11 0.00 -0.60 0.00 0.00 56.93 56.67 3gvj s PHE 289 Cb 0.20 -1.58 -0.04 0.00 0.51 0.00 0.00 43.02 42.11 3gvj s PHE 289 CO 0.39 0.35 -0.26 0.96 0.70 0.00 0.00 175.22 177.35 3gvj s ILE 290 N -0.98 2.23 -1.38 0.64 -4.36 -0.24 -3.97 121.20 113.14 3gvj s ILE 290 Ca 0.17 -1.76 -0.05 0.00 -0.26 0.00 0.00 60.65 58.74 3gvj s ILE 290 Cb -0.11 -1.98 0.03 0.00 1.25 0.00 0.00 42.46 41.65 3gvj s ILE 290 CO 0.07 0.07 0.86 -3.20 0.24 0.00 0.00 174.94 172.99 3gvj n ASN 291 N 0.89 -2.92 -3.99 4.36 5.15 -0.70 -1.66 115.26 116.40 3gvj n ASN 291 Ca -0.18 -0.76 -0.17 0.00 -0.60 0.00 0.00 54.58 52.87 3gvj n ASN 291 Cb 0.53 -4.18 -0.14 0.00 -0.53 0.00 0.00 39.78 35.45 3gvj n ASN 291 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3gvj s THR 292 N -3.49 0.53 -0.03 -0.44 2.01 -1.26 -1.11 115.64 111.85 3gvj s THR 292 Ca 0.27 -0.33 0.06 0.00 0.31 0.00 0.00 61.69 62.01 3gvj s THR 292 Cb -0.13 -0.46 -0.01 0.00 0.01 0.00 0.00 72.50 71.91 3gvj s THR 292 CO 0.80 0.12 -0.22 -0.60 -0.69 0.00 0.00 174.62 174.04 3gvj s ARG 293 N -0.23 1.90 -0.03 4.92 3.52 -0.88 -1.40 118.95 126.75 3gvj s ARG 293 Ca 0.02 -0.77 0.02 0.00 -0.13 0.00 0.00 55.73 54.86 3gvj s ARG 293 Cb -0.03 -1.76 -0.03 0.00 -1.56 0.00 0.00 34.95 31.57 3gvj s ARG 293 CO -0.00 0.42 -0.05 -0.06 -0.81 0.00 0.00 175.30 174.80 3gvj s PHE 294 N -0.36 2.96 -0.14 5.12 0.08 -0.09 -0.88 117.98 124.66 3gvj s PHE 294 Ca 0.04 0.02 0.00 0.00 0.12 0.00 0.00 56.93 57.12 3gvj s PHE 294 Cb -0.10 -1.67 -0.01 0.00 -0.57 0.00 0.00 43.02 40.68 3gvj s PHE 294 CO 0.00 0.38 -0.15 0.54 -0.10 0.00 0.00 175.22 175.90 3gvj s VAL 295 N -0.94 2.82 -0.10 -0.44 0.11 -0.46 -0.68 120.40 120.70 3gvj s VAL 295 Ca 0.16 -0.73 -0.06 0.00 -2.93 0.00 0.00 61.98 58.41 3gvj s VAL 295 Cb -0.11 -2.18 0.04 0.00 -1.53 0.00 0.00 36.38 32.60 3gvj s VAL 295 CO 0.06 0.52 0.25 -0.47 -3.33 0.00 0.00 175.10 172.12 3gvj s TYR 296 N 0.56 -0.32 -0.86 1.54 6.04 -0.76 -1.95 117.35 121.61 3gvj s TYR 296 Ca -0.09 0.76 -0.08 0.00 0.04 0.00 0.00 57.07 57.70 3gvj s TYR 296 Cb -0.16 0.07 0.22 0.00 -1.04 0.00 0.00 41.96 41.05 3gvj s TYR 296 CO 0.04 -0.20 0.77 -1.21 -1.54 0.00 0.00 175.55 173.40 3gvj s GLU 297 N 0.92 3.43 0.21 4.97 2.02 -1.26 -1.64 118.70 127.35 3gvj s GLU 297 Ca -0.06 -2.81 -0.09 0.00 0.02 0.00 0.00 54.97 52.03 3gvj s GLU 297 Cb -0.08 -4.20 0.28 0.00 0.10 0.00 0.00 34.13 30.23 3gvj s GLU 297 CO -0.06 -1.25 1.77 -0.09 0.02 0.00 0.00 175.26 175.65 3gvj h ARG 298 N 7.01 0.51 -5.08 1.61 2.43 -1.95 -3.36 114.38 115.55 3gvj h ARG 298 Ca 0.11 -0.03 -0.64 0.00 -0.81 0.00 0.00 59.98 58.60 3gvj h ARG 298 Cb 0.94 -0.12 -0.22 0.00 -0.42 0.00 0.00 29.97 30.15 3gvj h ARG 298 CO 0.82 0.34 -0.63 0.42 -1.51 0.00 0.00 179.97 179.40 3gvj s ILE 299 N -6.08 4.19 0.24 1.20 -1.09 -1.26 -5.07 121.20 113.32 3gvj s ILE 299 Ca -0.13 -0.23 -0.31 0.00 -2.23 0.00 0.00 60.65 57.75 3gvj s ILE 299 Cb 0.17 -2.92 -0.12 0.00 -1.58 0.00 0.00 42.46 38.01 3gvj s ILE 299 CO 0.75 0.40 1.63 -2.65 -1.23 0.00 0.00 174.94 173.84 3gvj n PRO 300 N 4.38 2.61 -0.12 2.79 -0.02 -1.26 -1.58 135.00 141.79 3gvj n PRO 300 Ca -0.17 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 3gvj n PRO 300 Cb 0.52 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.27 3gvj n PRO 300 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gvj n GLY 301 N 3.02 0.65 2.60 -1.23 0.00 -1.26 -4.99 105.19 103.98 3gvj n GLY 301 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 3gvj n GLY 301 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3gvj n GLN 302 N -2.00 1.04 -2.06 1.61 6.02 -0.62 -5.10 117.38 116.28 3gvj n GLN 302 Ca 0.00 -3.82 -0.41 0.00 -0.01 0.00 0.00 57.00 52.76 3gvj n GLN 302 Cb 0.00 -1.94 -0.02 0.00 1.02 0.00 0.00 30.24 29.30 3gvj n GLN 302 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3gvj s PRO 303 N -0.80 4.30 0.14 -1.09 0.04 -1.26 -4.42 135.00 131.91 3gvj s PRO 303 Ca 0.30 2.25 0.05 0.00 0.04 0.00 0.00 61.00 63.64 3gvj s PRO 303 Cb 0.02 -3.12 -0.04 0.00 0.04 0.00 0.00 34.50 31.40 3gvj s PRO 303 CO -0.17 -0.36 -0.11 -0.51 0.04 0.00 0.00 177.00 175.89 3gvj s LEU 304 N -0.56 2.50 0.03 -3.56 1.43 -0.65 -4.85 118.68 113.01 3gvj s LEU 304 Ca 0.57 -0.96 0.06 0.00 -1.03 0.00 0.00 54.13 52.76 3gvj s LEU 304 Cb -0.41 -0.41 -0.03 0.00 0.03 0.00 0.00 46.19 45.37 3gvj s LEU 304 CO 0.44 -0.28 -0.14 -0.31 0.23 0.00 0.00 176.35 176.29 3gvj s TYR 305 N -3.02 2.68 -0.07 0.29 1.51 -0.63 -1.82 117.35 116.29 3gvj s TYR 305 Ca 0.15 -0.18 0.00 0.00 -1.01 0.00 0.00 57.07 56.04 3gvj s TYR 305 Cb 0.01 -1.52 0.02 0.00 -0.11 0.00 0.00 41.96 40.36 3gvj s TYR 305 CO 0.01 0.29 -0.05 0.71 -1.11 0.00 0.00 175.55 175.41 3gvj s TYR 306 N -0.95 1.01 -0.21 2.71 2.02 0.14 0.05 117.35 122.12 3gvj s TYR 306 Ca 0.16 -0.37 -0.12 0.00 -0.37 0.00 0.00 57.07 56.37 3gvj s TYR 306 Cb -0.11 -0.89 -0.05 0.00 -0.40 0.00 0.00 41.96 40.52 3gvj s TYR 306 CO 0.06 -0.31 0.23 0.00 -1.57 0.00 0.00 175.55 173.96 3gvj s ALA 307 N 1.30 3.61 0.94 3.71 0.00 -0.83 -0.91 121.76 129.58 3gvj s ALA 307 Ca -0.04 -0.70 -0.12 0.00 0.00 0.00 0.00 51.96 51.10 3gvj s ALA 307 Cb -0.14 -2.38 0.16 0.00 0.00 0.00 0.00 23.12 20.76 3gvj s ALA 307 CO -0.02 -0.11 1.09 -1.54 0.00 0.00 0.00 175.76 175.18 3gvj s SER 308 N 0.84 3.07 0.39 0.00 1.04 -0.49 -4.87 113.70 113.68 3gvj s SER 308 Ca 0.12 1.33 -0.27 0.00 0.48 0.00 0.00 55.95 57.61 3gvj s SER 308 Cb -0.13 -2.00 -0.11 0.00 0.10 0.00 0.00 66.02 63.88 3gvj s SER 308 CO 0.04 -2.87 1.28 -0.62 0.98 0.00 0.00 173.24 172.06 3gvj n GLU 309 N -4.02 2.03 -0.54 4.02 -0.58 -1.25 -2.85 120.64 117.45 3gvj n GLU 309 Ca 0.06 0.72 0.00 0.00 -0.42 0.00 0.00 57.16 57.52 3gvj n GLU 309 Cb 0.56 -2.37 0.00 0.00 -0.57 0.00 0.00 31.44 29.07 3gvj n GLU 309 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3gvj n GLU 310 N 0.28 0.00 -0.23 3.49 1.02 -1.26 -1.73 120.64 122.21 3gvj n GLU 310 Ca 0.06 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.12 3gvj n GLU 310 Cb 0.38 -2.59 0.04 0.00 -0.02 0.00 0.00 31.44 29.25 3gvj n GLU 310 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 3gvj h PHE 311 N 0.00 1.04 -3.45 -0.32 3.57 -1.82 -3.40 116.94 112.57 3gvj h PHE 311 Ca 0.00 -0.10 -0.67 0.00 3.53 0.00 0.00 57.97 60.72 3gvj h PHE 311 Cb 0.00 -0.30 -0.16 0.00 2.79 0.00 0.00 35.95 38.28 3gvj h PHE 311 CO 0.00 0.85 -0.66 0.08 -2.23 0.00 0.00 178.31 176.35 3gvj s VAL 312 N -5.41 4.02 -0.70 1.41 1.01 -1.26 -4.95 120.40 114.51 3gvj s VAL 312 Ca -0.12 -0.53 -0.25 0.00 0.00 0.00 0.00 61.98 61.08 3gvj s VAL 312 Cb 0.14 -2.74 0.05 0.00 0.00 0.00 0.00 36.38 33.83 3gvj s VAL 312 CO 0.82 0.47 1.13 -1.10 0.00 0.00 0.00 175.10 176.43 3gvj s GLN 313 N -1.25 3.16 0.14 2.72 -0.21 -1.26 -4.94 119.66 118.01 3gvj s GLN 313 Ca 0.16 -0.51 -0.25 0.00 0.02 0.00 0.00 55.36 54.79 3gvj s GLN 313 Cb -0.11 -4.20 0.06 0.00 1.00 0.00 0.00 33.01 29.76 3gvj s GLN 313 CO 0.06 -1.99 0.88 0.20 -2.12 0.00 0.00 175.29 172.33 3gvj s GLY 314 N 3.70 -0.28 -0.15 3.09 0.00 -1.26 -0.77 107.32 111.65 3gvj s GLY 314 Ca 0.29 0.25 -0.23 0.00 0.00 0.00 0.00 44.72 45.03 3gvj s GLY 314 CO 0.13 0.06 0.60 1.85 0.00 0.00 0.00 173.10 175.74 3gvj s GLU 315 N -3.38 0.82 -0.05 2.90 2.12 -0.64 -4.94 118.70 115.52 3gvj s GLU 315 Ca 0.10 0.55 -0.15 0.00 0.36 0.00 0.00 54.97 55.83 3gvj s GLU 315 Cb -0.02 0.39 -0.05 0.00 0.26 0.00 0.00 34.13 34.71 3gvj s GLU 315 CO -0.00 -0.17 0.40 -1.17 -0.54 0.00 0.00 175.26 173.78 3gvj s LEU 316 N -0.33 4.41 0.06 2.70 2.96 -1.26 -1.21 118.68 126.00 3gvj s LEU 316 Ca -0.05 0.86 0.09 0.00 -0.22 0.00 0.00 54.13 54.81 3gvj s LEU 316 Cb -0.03 -2.56 -0.03 0.00 0.50 0.00 0.00 46.19 44.07 3gvj s LEU 316 CO 0.04 0.24 -0.25 -0.36 -1.32 0.00 0.00 176.35 174.70 3gvj s PHE 317 N -0.55 2.16 -0.12 5.38 0.08 0.08 -4.97 117.98 120.03 3gvj s PHE 317 Ca 0.23 -0.40 -0.19 0.00 0.12 0.00 0.00 56.93 56.69 3gvj s PHE 317 Cb -0.16 -1.27 -0.04 0.00 -0.57 0.00 0.00 43.02 40.98 3gvj s PHE 317 CO 0.11 0.15 0.51 0.21 -0.10 0.00 0.00 175.22 176.10 3gvj s LYS 318 N -1.37 4.34 -0.00 0.44 2.20 -1.26 -0.46 119.74 123.63 3gvj s LYS 318 Ca 0.11 0.51 0.01 0.00 -0.36 0.00 0.00 55.97 56.23 3gvj s LYS 318 Cb -0.10 -3.45 -0.01 0.00 -1.51 0.00 0.00 37.83 32.77 3gvj s LYS 318 CO 0.03 0.12 0.02 0.44 -0.36 0.00 0.00 175.35 175.60 3gvj n ILE 319 N 3.75 0.00 -4.25 5.43 -5.35 0.18 -4.92 119.36 114.19 3gvj n ILE 319 Ca -0.06 -0.19 -0.18 0.00 -0.27 0.00 0.00 62.75 62.04 3gvj n ILE 319 Cb 0.51 0.68 -0.11 0.00 -1.74 0.00 0.00 39.64 38.98 3gvj n ILE 319 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3gvj s THR 320 N -1.67 1.39 -0.47 7.28 -4.23 -1.07 -4.84 115.64 112.03 3gvj s THR 320 Ca -0.00 -1.77 0.06 0.00 -1.18 0.00 0.00 61.69 58.80 3gvj s THR 320 Cb 0.00 -1.60 0.20 0.00 1.34 0.00 0.00 72.50 72.45 3gvj s THR 320 CO 0.03 -0.42 0.65 -0.67 -0.54 0.00 0.00 174.62 173.66 3gvj n ASP 321 N 0.45 -2.24 -4.31 3.99 2.03 -1.26 -4.30 116.55 110.91 3gvj n ASP 321 Ca -0.15 -2.85 -0.19 0.00 0.52 0.00 0.00 54.79 52.13 3gvj n ASP 321 Cb 0.57 0.96 -0.11 0.00 -0.72 0.00 0.00 41.12 41.83 3gvj n ASP 321 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3gvj s THR 322 N 0.41 1.62 -0.80 5.18 -4.23 -1.26 -5.05 115.64 111.50 3gvj s THR 322 Ca 0.32 -2.01 0.23 0.00 -1.18 0.00 0.00 61.69 59.05 3gvj s THR 322 Cb 0.08 -1.86 0.22 0.00 1.34 0.00 0.00 72.50 72.28 3gvj s THR 322 CO -0.13 -0.49 1.72 -2.65 -0.54 0.00 0.00 174.62 172.52 3gvj n PRO 323 N 0.02 0.11 -1.03 3.99 -0.02 -1.26 -4.76 135.00 132.06 3gvj n PRO 323 Ca -0.11 0.22 -0.31 0.00 -2.02 0.00 0.00 63.50 61.28 3gvj n PRO 323 Cb 0.59 -1.67 0.12 0.00 -0.02 0.00 0.00 33.50 32.52 3gvj n PRO 323 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3gvj s TYR 324 N -3.10 2.15 -0.69 6.00 1.51 -1.26 -1.41 117.35 120.54 3gvj s TYR 324 Ca 0.09 1.66 -0.27 0.00 -1.01 0.00 0.00 57.07 57.54 3gvj s TYR 324 Cb 0.13 -3.19 0.01 0.00 -0.11 0.00 0.00 41.96 38.80 3gvj s TYR 324 CO 0.45 -2.25 1.53 -0.47 -1.11 0.00 0.00 175.55 173.70 3gvj s TYR 325 N -2.77 2.02 -0.33 2.71 5.04 0.97 -4.48 117.35 120.51 3gvj s TYR 325 Ca 0.64 0.30 -0.09 0.00 -2.44 0.00 0.00 57.07 55.48 3gvj s TYR 325 Cb -0.20 -4.40 0.02 0.00 0.35 0.00 0.00 41.96 37.73 3gvj s TYR 325 CO 0.56 -2.17 0.15 -0.80 -1.34 0.00 0.00 175.55 171.95 3gvj s ASN 326 N 5.64 5.47 0.19 4.32 0.02 -0.94 -1.70 114.94 127.94 3gvj s ASN 326 Ca 0.49 -0.84 -0.06 0.00 -1.02 0.00 0.00 52.86 51.44 3gvj s ASN 326 Cb -0.10 -1.96 0.02 0.00 0.02 0.00 0.00 41.25 39.24 3gvj s ASN 326 CO 0.17 -0.28 0.34 0.00 0.02 0.00 0.00 177.10 177.35 3gvj n ALA 327 N 4.93 -0.68 -3.46 0.60 0.00 -1.08 -2.93 120.51 117.90 3gvj n ALA 327 Ca -0.13 -0.66 -0.21 0.00 0.00 0.00 0.00 53.44 52.45 3gvj n ALA 327 Cb 0.47 0.52 0.06 0.00 0.00 0.00 0.00 19.45 20.50 3gvj n ALA 327 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 3gvj n TRP 328 N -0.26 -2.20 0.22 0.00 8.01 -1.26 -1.73 117.44 120.23 3gvj n TRP 328 Ca -0.03 0.75 0.14 0.00 -1.31 0.00 0.00 57.50 57.05 3gvj n TRP 328 Cb 0.29 -4.08 0.79 0.00 -2.01 0.00 0.00 31.31 26.29 3gvj n TRP 328 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.69 175.33 3gvj h PRO 329 N -1.51 0.00 -6.23 -0.99 0.11 -1.69 -3.33 132.00 118.36 3gvj h PRO 329 Ca -0.62 0.00 -0.68 0.00 0.11 0.00 0.00 66.00 64.81 3gvj h PRO 329 Cb 1.33 0.00 0.07 0.00 0.11 0.00 0.00 31.00 32.52 3gvj h PRO 329 CO 0.48 0.00 0.19 0.00 -0.21 0.00 0.00 178.00 178.46 3gvj n GLN 330 N -4.08 0.85 -3.85 1.05 10.64 -0.70 -1.40 117.38 119.88 3gvj n GLN 330 Ca -0.00 0.30 -0.31 0.00 -1.83 0.00 0.00 57.00 55.16 3gvj n GLN 330 Cb 0.22 -1.78 -0.11 0.00 -0.86 0.00 0.00 30.24 27.71 3gvj n GLN 330 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 3gvj s ASP 331 N -0.02 4.89 -0.00 2.61 2.15 -0.31 -4.41 116.67 121.59 3gvj s ASP 331 Ca 0.77 -3.44 0.01 0.00 0.43 0.00 0.00 52.55 50.32 3gvj s ASP 331 Cb -0.95 -1.71 -0.01 0.00 -0.30 0.00 0.00 42.92 39.95 3gvj s ASP 331 CO 0.52 -0.18 0.03 0.29 -0.17 0.00 0.00 175.17 175.66 3gvj n LYS 332 N 2.58 2.84 -1.94 4.34 5.02 -0.50 -3.80 118.16 126.70 3gvj n LYS 332 Ca 0.14 -0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.08 3gvj n LYS 332 Cb 0.35 -0.82 0.03 0.00 -0.02 0.00 0.00 35.03 34.57 3gvj n LYS 332 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3gvj s ALA 333 N -1.65 2.54 0.19 7.82 0.00 -1.26 -4.58 121.76 124.81 3gvj s ALA 333 Ca -0.00 0.71 -0.23 0.00 0.00 0.00 0.00 51.96 52.44 3gvj s ALA 333 Cb 0.01 -3.35 0.06 0.00 0.00 0.00 0.00 23.12 19.83 3gvj s ALA 333 CO 0.04 -1.12 0.67 -0.59 0.00 0.00 0.00 175.76 174.77 3gvj s PHE 334 N -2.05 -0.39 -0.09 0.00 -0.71 -1.15 -4.87 117.98 108.71 3gvj s PHE 334 Ca 0.70 0.10 0.02 0.00 -1.04 0.00 0.00 56.93 56.71 3gvj s PHE 334 Cb -0.23 0.61 -0.02 0.00 -1.21 0.00 0.00 43.02 42.17 3gvj s PHE 334 CO 0.36 -0.96 -0.14 0.08 -1.34 0.00 0.00 175.22 173.21 3gvj s VAL 335 N -3.75 2.98 -0.10 -2.49 1.01 -1.26 -1.28 120.40 115.51 3gvj s VAL 335 Ca 0.05 -0.72 -0.04 0.00 0.00 0.00 0.00 61.98 61.28 3gvj s VAL 335 Cb -0.03 -2.21 0.05 0.00 0.00 0.00 0.00 36.38 34.20 3gvj s VAL 335 CO -0.05 0.55 0.18 -0.47 0.00 0.00 0.00 175.10 175.31 3gvj s TYR 336 N -0.10 -0.22 -1.31 5.22 5.04 -0.63 -4.92 117.35 120.42 3gvj s TYR 336 Ca -0.02 0.66 -0.10 0.00 -2.44 0.00 0.00 57.07 55.17 3gvj s TYR 336 Cb -0.14 -0.23 0.00 0.00 0.35 0.00 0.00 41.96 41.95 3gvj s TYR 336 CO 0.04 -0.30 0.53 0.39 -1.34 0.00 0.00 175.55 174.87 3gvj n GLU 337 N 5.33 -2.24 -0.63 4.97 -0.58 -1.26 -2.07 120.64 124.16 3gvj n GLU 337 Ca -0.05 0.37 0.00 0.00 -0.42 0.00 0.00 57.16 57.06 3gvj n GLU 337 Cb 0.50 -4.16 0.00 0.00 -0.57 0.00 0.00 31.44 27.21 3gvj n GLU 337 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3gvj n ASN 338 N -2.80 0.00 -4.78 1.62 4.13 -1.26 -4.99 115.26 107.17 3gvj n ASN 338 Ca -0.23 0.00 -0.36 0.00 1.68 0.00 0.00 54.58 55.67 3gvj n ASN 338 Cb 0.65 -0.79 -0.07 0.00 -1.54 0.00 0.00 39.78 38.03 3gvj n ASN 338 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3gvj s VAL 339 N -2.80 5.41 -0.24 2.41 1.01 -0.88 -4.79 120.40 120.53 3gvj s VAL 339 Ca 0.00 0.28 -0.11 0.00 0.00 0.00 0.00 61.98 62.15 3gvj s VAL 339 Cb 0.00 -3.48 -0.05 0.00 0.00 0.00 0.00 36.38 32.85 3gvj s VAL 339 CO 0.00 0.50 0.19 -0.63 0.00 0.00 0.00 175.10 175.16 3gvj s ILE 340 N -0.14 5.34 -0.19 2.22 1.01 -0.88 -1.61 121.20 126.94 3gvj s ILE 340 Ca 0.12 0.24 -0.05 0.00 0.00 0.00 0.00 60.65 60.96 3gvj s ILE 340 Cb -0.12 -3.53 -0.03 0.00 0.01 0.00 0.00 42.46 38.80 3gvj s ILE 340 CO 0.01 0.33 0.00 -0.31 0.00 0.00 0.00 174.94 174.98 3gvj s TYR 341 N 1.13 3.06 -0.76 3.97 1.51 -0.41 -1.23 117.35 124.63 3gvj s TYR 341 Ca 0.09 -0.38 0.01 0.00 -1.01 0.00 0.00 57.07 55.78 3gvj s TYR 341 Cb -0.14 -2.07 0.19 0.00 -0.11 0.00 0.00 41.96 39.82 3gvj s TYR 341 CO 0.05 -0.18 0.58 0.00 -1.11 0.00 0.00 175.55 174.90 3gvj s ALA 342 N 0.88 3.92 0.59 3.71 0.00 -0.14 -2.94 121.76 127.78 3gvj s ALA 342 Ca 0.01 -3.72 -0.16 0.00 0.00 0.00 0.00 51.96 48.09 3gvj s ALA 342 Cb -0.14 -2.50 -0.03 0.00 0.00 0.00 0.00 23.12 20.45 3gvj s ALA 342 CO 0.02 -2.11 1.07 -2.14 0.00 0.00 0.00 175.76 172.60 3gvj s PRO 343 N -1.14 3.24 0.26 0.00 0.02 -1.26 -2.68 135.00 133.43 3gvj s PRO 343 Ca 0.24 1.30 -0.10 0.00 0.02 0.00 0.00 61.00 62.46 3gvj s PRO 343 Cb -0.09 -2.02 0.04 0.00 0.02 0.00 0.00 34.50 32.45 3gvj s PRO 343 CO -0.12 -0.89 0.53 2.48 -0.33 0.00 0.00 177.00 178.67 3gvj n TYR 344 N -1.96 -1.90 -4.94 6.54 0.18 -0.10 -4.09 117.16 110.90 3gvj n TYR 344 Ca 0.09 -1.23 -0.31 0.00 1.88 0.00 0.00 57.90 58.34 3gvj n TYR 344 Cb 0.52 0.61 -0.17 0.00 -0.38 0.00 0.00 39.34 39.93 3gvj n TYR 344 CO 0.00 0.00 0.00 -1.64 -2.08 0.00 0.00 176.86 173.14 3gvj s MET 345 N -2.06 2.87 -0.33 -3.48 -1.94 -0.70 -1.51 119.30 112.15 3gvj s MET 345 Ca 0.11 -0.81 -0.08 0.00 -1.71 0.00 0.00 55.69 53.20 3gvj s MET 345 Cb -0.03 -2.24 0.02 0.00 2.01 0.00 0.00 34.83 34.59 3gvj s MET 345 CO 0.08 0.09 0.12 0.20 -0.01 0.00 0.00 175.02 175.50 3gvj s GLY 346 N 0.56 1.85 0.00 -0.03 0.00 -0.92 -2.62 107.32 106.16 3gvj s GLY 346 Ca -0.14 -1.63 0.00 0.00 0.00 0.00 0.00 44.72 42.95 3gvj s GLY 346 CO 0.04 0.75 0.00 -1.14 0.00 0.00 0.00 173.10 172.75 3gvj n SER 347 N 4.88 0.45 -0.11 1.64 3.41 -0.69 -1.78 113.62 121.42 3gvj n SER 347 Ca -0.13 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.49 3gvj n SER 347 Cb 0.46 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.43 3gvj n SER 347 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3gvj n ASP 348 N 0.00 1.49 -3.73 4.04 5.68 -1.04 -0.02 116.55 122.97 3gvj n ASP 348 Ca 0.00 -1.36 0.02 0.00 -0.50 0.00 0.00 54.79 52.95 3gvj n ASP 348 Cb 0.00 -0.01 0.01 0.00 -1.14 0.00 0.00 41.12 39.97 3gvj n ASP 348 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3gvj s ARG 349 N -0.43 0.44 -1.12 0.11 1.70 -1.26 -4.82 118.95 113.57 3gvj s ARG 349 Ca 0.03 -0.27 -0.22 0.00 -0.47 0.00 0.00 55.73 54.80 3gvj s ARG 349 Cb 0.02 0.13 -0.03 0.00 -0.57 0.00 0.00 34.95 34.50 3gvj s ARG 349 CO 0.03 -0.20 1.85 -1.01 -1.08 0.00 0.00 175.30 174.89 3gvj s HIS 350 N -2.15 2.13 0.00 5.89 3.76 -1.26 -4.69 115.29 118.96 3gvj s HIS 350 Ca 0.24 -0.01 0.00 0.00 -0.15 0.00 0.00 55.06 55.14 3gvj s HIS 350 Cb 0.01 -4.22 0.00 0.00 1.11 0.00 0.00 32.58 29.48 3gvj s HIS 350 CO -0.01 -1.52 0.00 0.41 -0.85 0.00 0.00 174.74 172.76 3gvj n GLY 351 N 6.10 -0.86 1.12 -2.22 0.00 -1.26 -5.02 105.19 103.05 3gvj n GLY 351 Ca 0.43 -1.25 0.12 0.00 0.00 0.00 0.00 46.02 45.32 3gvj n GLY 351 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3gvj n VAL 352 N -0.79 0.44 -1.69 1.61 0.24 -1.26 -4.77 118.33 112.11 3gvj n VAL 352 Ca 0.00 -0.72 -0.44 0.00 -2.04 0.00 0.00 64.34 61.14 3gvj n VAL 352 Cb 0.00 1.05 -0.04 0.00 -1.47 0.00 0.00 33.84 33.38 3gvj n VAL 352 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 3gvj n SER 353 N 1.46 3.47 -0.90 -1.34 2.88 -1.26 -1.99 113.62 115.93 3gvj n SER 353 Ca 0.18 1.08 -0.11 0.00 -1.33 0.00 0.00 58.87 58.69 3gvj n SER 353 Cb 0.60 -1.49 -0.05 0.00 -0.75 0.00 0.00 64.21 62.52 3gvj n SER 353 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3gvj n ARG 354 N 3.58 -1.66 -2.47 -1.46 1.74 -1.26 -2.49 116.66 112.64 3gvj n ARG 354 Ca 0.16 0.85 -0.42 0.00 -0.77 0.00 0.00 57.85 57.67 3gvj n ARG 354 Cb 0.31 -5.19 -0.03 0.00 -1.02 0.00 0.00 32.46 26.54 3gvj n ARG 354 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3gvj s LEU 355 N -2.63 4.40 -0.11 0.55 1.98 -0.84 -4.48 118.68 117.54 3gvj s LEU 355 Ca 0.00 2.01 0.02 0.00 -2.89 0.00 0.00 54.13 53.28 3gvj s LEU 355 Cb 0.00 -3.59 0.01 0.00 0.66 0.00 0.00 46.19 43.28 3gvj s LEU 355 CO 0.00 -0.38 -0.18 -1.00 -1.89 0.00 0.00 176.35 172.89 3gvj s HIS 356 N 0.67 2.21 0.12 5.38 3.76 -0.73 -4.64 115.29 122.06 3gvj s HIS 356 Ca 0.55 -1.03 -0.31 0.00 -0.15 0.00 0.00 55.06 54.12 3gvj s HIS 356 Cb -0.29 -1.55 -0.09 0.00 1.11 0.00 0.00 32.58 31.77 3gvj s HIS 356 CO 0.31 -0.49 1.49 0.08 -0.85 0.00 0.00 174.74 175.28 3gvj s VAL 357 N 0.82 3.04 0.21 -0.90 1.01 -1.26 -2.16 120.40 121.16 3gvj s VAL 357 Ca -0.09 0.70 0.02 0.00 0.00 0.00 0.00 61.98 62.61 3gvj s VAL 357 Cb -0.16 -3.45 -0.05 0.00 0.00 0.00 0.00 36.38 32.73 3gvj s VAL 357 CO 0.00 0.04 0.04 -0.44 0.00 0.00 0.00 175.10 174.75 3gvj s SER 358 N 1.35 1.18 0.04 3.32 0.01 -0.57 0.17 113.70 119.21 3gvj s SER 358 Ca 0.68 -1.27 -0.15 0.00 1.31 0.00 0.00 55.95 56.52 3gvj s SER 358 Cb -0.39 0.14 0.02 0.00 0.21 0.00 0.00 66.02 66.00 3gvj s SER 358 CO 0.31 -0.64 0.33 -1.66 0.41 0.00 0.00 173.24 171.98 3gvj s TRP 359 N -3.71 -0.14 0.19 2.43 -2.14 -0.79 -0.92 118.94 113.86 3gvj s TRP 359 Ca 0.30 0.03 0.10 0.00 2.66 0.00 0.00 56.10 59.19 3gvj s TRP 359 Cb 0.07 0.13 -0.04 0.00 -3.10 0.00 0.00 33.47 30.52 3gvj s TRP 359 CO 0.08 -0.52 -0.16 0.14 -2.66 0.00 0.00 176.95 173.83 3gvj s VAL 360 N -2.53 2.81 0.12 -0.66 -7.23 -1.09 -1.64 120.40 110.18 3gvj s VAL 360 Ca -0.05 -1.86 0.05 0.00 -1.81 0.00 0.00 61.98 58.30 3gvj s VAL 360 Cb -0.01 -2.38 -0.04 0.00 0.56 0.00 0.00 36.38 34.51 3gvj s VAL 360 CO -0.03 -0.14 -0.12 -0.54 -0.31 0.00 0.00 175.10 173.97 3gvj s LYS 361 N -2.83 0.97 -0.06 4.82 1.02 -1.26 -0.96 119.74 121.44 3gvj s LYS 361 Ca 0.24 -1.27 0.03 0.00 0.02 0.00 0.00 55.97 54.98 3gvj s LYS 361 Cb -0.08 -0.70 0.01 0.00 -0.52 0.00 0.00 37.83 36.54 3gvj s LYS 361 CO 0.13 0.11 -0.14 0.45 -0.92 0.00 0.00 175.35 174.98 3gvj s SER 362 N -2.66 1.99 -0.08 2.83 0.15 -0.36 -1.02 113.70 114.55 3gvj s SER 362 Ca 0.10 -0.34 0.14 0.00 0.70 0.00 0.00 55.95 56.55 3gvj s SER 362 Cb -0.02 -0.84 0.45 0.00 -1.71 0.00 0.00 66.02 63.89 3gvj s SER 362 CO 0.01 0.07 1.37 0.61 1.20 0.00 0.00 173.24 176.51 3gvj n GLY 363 N 3.64 3.24 2.25 9.45 0.00 -1.26 -2.08 105.19 120.43 3gvj n GLY 363 Ca -0.21 -0.69 -0.00 0.00 0.00 0.00 0.00 46.02 45.11 3gvj n GLY 363 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gvj n ASP 364 N 0.22 1.61 -2.82 1.61 5.68 -1.26 -4.96 116.55 116.63 3gvj n ASP 364 Ca 0.17 -2.20 -0.21 0.00 -0.50 0.00 0.00 54.79 52.05 3gvj n ASP 364 Cb 0.67 -0.41 0.03 0.00 -1.14 0.00 0.00 41.12 40.26 3gvj n ASP 364 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3gvj n ASP 365 N -0.26 -5.94 0.00 -1.12 8.00 -1.26 -3.28 116.55 112.69 3gvj n ASP 365 Ca 0.10 -0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.35 3gvj n ASP 365 Cb 0.92 -4.78 0.00 0.00 -0.02 0.00 0.00 41.12 37.25 3gvj n ASP 365 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gvj n GLY 366 N -1.44 0.74 0.20 0.44 0.00 -1.26 -4.96 105.19 98.91 3gvj n GLY 366 Ca -0.12 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.71 3gvj n GLY 366 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3gvj h GLN 367 N 2.85 0.72 -4.73 1.61 4.20 -1.97 -3.47 115.11 114.31 3gvj h GLN 367 Ca 0.00 -0.66 -0.25 0.00 0.06 0.00 0.00 58.65 57.80 3gvj h GLN 367 Cb 0.00 0.16 -0.15 0.00 0.30 0.00 0.00 27.48 27.79 3gvj h GLN 367 CO 0.00 1.26 -0.68 0.95 -0.67 0.00 0.00 178.83 179.68 3gvj s THR 368 N -3.56 0.71 0.03 -0.54 -4.23 -1.26 -5.08 115.64 101.71 3gvj s THR 368 Ca -0.11 -1.96 0.00 0.00 -1.18 0.00 0.00 61.69 58.44 3gvj s THR 368 Cb 0.07 -1.87 -0.02 0.00 1.34 0.00 0.00 72.50 72.02 3gvj s THR 368 CO 0.90 -0.70 -0.04 0.26 -0.54 0.00 0.00 174.62 174.50 3gvj s TRP 369 N -3.62 0.38 0.75 3.99 0.52 -1.26 -4.24 118.94 115.45 3gvj s TRP 369 Ca 0.17 -0.63 -0.11 0.00 0.02 0.00 0.00 56.10 55.54 3gvj s TRP 369 Cb 0.05 -0.27 0.04 0.00 -1.15 0.00 0.00 33.47 32.15 3gvj s TRP 369 CO -0.01 -0.21 1.12 -1.54 0.02 0.00 0.00 176.95 176.34 3gvj s SER 370 N -1.79 5.04 0.22 2.95 1.04 -0.19 -4.94 113.70 116.05 3gvj s SER 370 Ca -0.10 0.96 -0.31 0.00 0.48 0.00 0.00 55.95 56.97 3gvj s SER 370 Cb -0.06 -1.63 -0.11 0.00 0.10 0.00 0.00 66.02 64.32 3gvj s SER 370 CO -0.03 -1.58 1.62 -0.89 0.98 0.00 0.00 173.24 173.35 3gvj s THR 371 N -3.44 2.25 0.36 2.02 2.01 -1.26 -4.60 115.64 112.98 3gvj s THR 371 Ca 0.60 0.19 -0.26 0.00 0.31 0.00 0.00 61.69 62.52 3gvj s THR 371 Cb -0.11 -3.12 -0.12 0.00 0.01 0.00 0.00 72.50 69.16 3gvj s THR 371 CO 0.50 0.02 1.08 -2.65 -0.69 0.00 0.00 174.62 172.88 3gvj n PRO 372 N 3.37 1.54 -5.09 4.92 -0.02 -1.26 -4.84 135.00 133.62 3gvj n PRO 372 Ca 0.13 0.55 -0.32 0.00 -2.02 0.00 0.00 63.50 61.83 3gvj n PRO 372 Cb 0.37 -2.05 -0.17 0.00 -0.02 0.00 0.00 33.50 31.64 3gvj n PRO 372 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3gvj s GLU 373 N -1.83 3.08 -0.08 -0.52 2.12 -0.65 -4.97 118.70 115.84 3gvj s GLU 373 Ca 0.60 -0.86 -0.30 0.00 0.36 0.00 0.00 54.97 54.77 3gvj s GLU 373 Cb -0.61 -2.36 -0.02 0.00 0.26 0.00 0.00 34.13 31.41 3gvj s GLU 373 CO 0.59 0.15 1.04 -1.58 -0.54 0.00 0.00 175.26 174.92 3gvj s TRP 374 N 0.42 3.48 -0.12 5.30 0.51 -1.26 -1.89 118.94 125.37 3gvj s TRP 374 Ca -0.16 1.54 0.20 0.00 -2.12 0.00 0.00 56.10 55.55 3gvj s TRP 374 Cb -0.17 -3.22 -0.22 0.00 -0.81 0.00 0.00 33.47 29.05 3gvj s TRP 374 CO 0.07 -0.40 0.56 1.28 -0.51 0.00 0.00 176.95 177.95 3gvj n LEU 375 N 4.86 0.36 -4.22 2.99 4.77 0.13 -4.91 117.00 120.97 3gvj n LEU 375 Ca 0.09 0.15 -0.22 0.00 -0.03 0.00 0.00 56.01 56.00 3gvj n LEU 375 Cb 0.49 0.13 -0.13 0.00 -2.33 0.00 0.00 43.42 41.58 3gvj n LEU 375 CO 0.53 0.13 -0.49 0.42 -1.33 0.00 0.00 177.39 176.65 3gvj s THR 376 N -3.09 1.43 0.61 -5.08 -4.23 -1.18 -4.98 115.64 99.11 3gvj s THR 376 Ca -0.06 -1.35 -0.03 0.00 -1.18 0.00 0.00 61.69 59.07 3gvj s THR 376 Cb 0.10 -1.31 0.04 0.00 1.34 0.00 0.00 72.50 72.67 3gvj s THR 376 CO 0.85 -0.08 0.89 -1.81 -0.54 0.00 0.00 174.62 173.93 3gvj s ASP 377 N -1.66 5.14 0.35 3.99 1.01 -1.26 -4.50 116.67 119.74 3gvj s ASP 377 Ca 0.03 0.29 -0.29 0.00 0.71 0.00 0.00 52.55 53.29 3gvj s ASP 377 Cb -0.10 -1.10 -0.11 0.00 1.01 0.00 0.00 42.92 42.62 3gvj s ASP 377 CO 0.03 -1.30 1.49 -0.76 0.21 0.00 0.00 175.17 174.83 3gvj s LEU 378 N -4.98 4.34 0.58 1.23 1.43 -1.26 -4.81 118.68 115.21 3gvj s LEU 378 Ca 0.58 2.98 -0.20 0.00 -1.03 0.00 0.00 54.13 56.46 3gvj s LEU 378 Cb -0.11 -3.66 -0.04 0.00 0.03 0.00 0.00 46.19 42.41 3gvj s LEU 378 CO 0.42 -0.84 1.15 1.57 0.23 0.00 0.00 176.35 178.88 3gvj n HIS 379 N 0.93 1.50 0.28 0.29 -0.00 -1.26 -4.86 115.22 112.09 3gvj n HIS 379 Ca 0.03 0.44 0.14 0.00 -0.00 0.00 0.00 57.72 58.32 3gvj n HIS 379 Cb 0.39 -2.24 0.84 0.00 -0.00 0.00 0.00 29.99 28.98 3gvj n HIS 379 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3gvj h PRO 380 N 0.84 0.00 -0.56 1.57 0.11 -1.92 -1.38 132.00 130.66 3gvj h PRO 380 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3gvj h PRO 380 Cb 1.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 3gvj h PRO 380 CO 0.53 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.07 3gvj n ASP 381 N -4.03 5.67 -4.73 -2.05 8.00 -1.26 -4.95 116.55 113.20 3gvj n ASP 381 Ca -0.02 -2.93 -0.42 0.00 0.71 0.00 0.00 54.79 52.12 3gvj n ASP 381 Cb 0.11 -0.68 -0.01 0.00 -0.02 0.00 0.00 41.12 40.52 3gvj n ASP 381 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gvj n TYR 382 N 0.58 2.63 -1.13 1.24 9.36 -0.52 -1.21 117.16 128.11 3gvj n TYR 382 Ca 0.28 0.42 -0.14 0.00 3.32 0.00 0.00 57.90 61.77 3gvj n TYR 382 Cb 1.19 -2.51 0.25 0.00 -0.63 0.00 0.00 39.34 37.64 3gvj n TYR 382 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3gvj n PRO 383 N 1.23 3.12 0.04 2.98 -0.04 -1.26 -4.93 135.00 136.14 3gvj n PRO 383 Ca 0.06 -3.07 -0.19 0.00 -0.04 0.00 0.00 63.50 60.26 3gvj n PRO 383 Cb 0.36 -2.21 -0.13 0.00 -0.04 0.00 0.00 33.50 31.48 3gvj n PRO 383 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3gvj h THR 384 N 1.98 1.44 -3.62 0.52 2.02 -1.56 -3.42 112.91 110.26 3gvj h THR 384 Ca 0.43 -2.34 -0.29 0.00 0.77 0.00 0.00 66.41 64.99 3gvj h THR 384 Cb 2.59 2.87 -0.15 0.00 -1.74 0.00 0.00 68.15 71.72 3gvj h THR 384 CO 0.91 0.68 -0.69 0.68 0.37 0.00 0.00 175.52 177.47 3gvj s VAL 385 N -2.85 0.87 0.25 3.16 -7.23 -1.20 -2.25 120.40 111.15 3gvj s VAL 385 Ca -0.13 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 57.88 3gvj s VAL 385 Cb 0.03 -1.91 0.01 0.00 0.56 0.00 0.00 36.38 35.07 3gvj s VAL 385 CO 0.85 -0.68 0.58 0.21 -0.31 0.00 0.00 175.10 175.75 3gvj s ASN 386 N -3.14 -0.19 0.69 4.85 2.47 -0.57 -3.42 114.94 115.64 3gvj s ASN 386 Ca 0.18 -0.73 -0.11 0.00 0.42 0.00 0.00 52.86 52.62 3gvj s ASN 386 Cb 0.05 0.64 0.01 0.00 -1.45 0.00 0.00 41.25 40.50 3gvj s ASN 386 CO 0.00 -1.21 1.09 -0.31 -3.72 0.00 0.00 177.10 172.95 3gvj s TYR 387 N -3.96 3.35 -0.19 0.43 2.02 -1.26 -1.01 117.35 116.73 3gvj s TYR 387 Ca 0.16 1.06 -0.27 0.00 -0.37 0.00 0.00 57.07 57.64 3gvj s TYR 387 Cb -0.03 -3.03 0.08 0.00 -0.40 0.00 0.00 41.96 38.58 3gvj s TYR 387 CO 0.06 -1.13 0.74 -1.58 -1.57 0.00 0.00 175.55 172.08 3gvj s HIS 388 N -3.33 -0.70 -0.22 2.71 5.65 -0.47 -4.84 115.29 114.09 3gvj s HIS 388 Ca 0.58 1.52 -0.10 0.00 0.25 0.00 0.00 55.06 57.31 3gvj s HIS 388 Cb -0.11 0.34 0.08 0.00 -1.18 0.00 0.00 32.58 31.71 3gvj s HIS 388 CO 0.52 -0.45 0.51 0.00 -0.65 0.00 0.00 174.74 174.67 3gvj n MET 390 N 4.79 2.11 -3.70 0.00 2.81 -1.26 -4.86 117.12 117.01 3gvj n MET 390 Ca -0.17 -1.41 -0.22 0.00 -1.81 0.00 0.00 57.70 54.10 3gvj n MET 390 Cb 0.53 -0.94 -0.18 0.00 -0.71 0.00 0.00 33.22 31.92 3gvj n MET 390 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3gvj s SER 391 N -1.02 1.44 -0.20 7.83 0.15 -1.25 -1.16 113.70 119.49 3gvj s SER 391 Ca 0.04 -0.06 -0.21 0.00 0.70 0.00 0.00 55.95 56.42 3gvj s SER 391 Cb 0.03 -0.27 0.06 0.00 -1.71 0.00 0.00 66.02 64.13 3gvj s SER 391 CO 0.00 -0.24 0.58 -0.32 1.20 0.00 0.00 173.24 174.47 3gvj s MET 392 N 2.09 0.71 0.05 5.44 1.75 -1.26 -1.68 119.30 126.40 3gvj s MET 392 Ca 0.05 0.75 -0.12 0.00 -1.25 0.00 0.00 55.69 55.12 3gvj s MET 392 Cb -0.13 0.34 0.04 0.00 2.84 0.00 0.00 34.83 37.93 3gvj s MET 392 CO -0.04 -0.10 0.54 0.41 -0.65 0.00 0.00 175.02 175.17 3gvj n GLY 393 N 2.59 0.77 3.31 2.11 0.00 -0.75 -4.56 105.19 108.66 3gvj n GLY 393 Ca -0.14 -1.00 -0.32 0.00 0.00 0.00 0.00 46.02 44.56 3gvj n GLY 393 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gvj s VAL 394 N -2.24 2.36 -0.04 1.61 1.01 -1.26 -0.83 120.40 121.01 3gvj s VAL 394 Ca 0.12 -0.95 -0.00 0.00 0.00 0.00 0.00 61.98 61.15 3gvj s VAL 394 Cb -0.01 -1.90 0.03 0.00 0.00 0.00 0.00 36.38 34.50 3gvj s VAL 394 CO 0.02 0.57 0.01 0.00 0.00 0.00 0.00 175.10 175.69 3gvj n ARG 396 N 4.62 -0.32 -1.24 0.00 0.63 -1.26 -1.95 116.66 117.14 3gvj n ARG 396 Ca -0.17 0.08 -0.08 0.00 -0.92 0.00 0.00 57.85 56.76 3gvj n ARG 396 Cb 0.50 -2.63 -0.04 0.00 0.45 0.00 0.00 32.46 30.75 3gvj n ARG 396 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3gvj n ASN 397 N -2.22 -4.43 -4.17 6.15 5.03 -1.26 -4.22 115.26 110.13 3gvj n ASN 397 Ca -0.13 0.20 -0.24 0.00 0.87 0.00 0.00 54.58 55.28 3gvj n ASN 397 Cb 0.57 -2.65 -0.15 0.00 -1.02 0.00 0.00 39.78 36.53 3gvj n ASN 397 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 3gvj s ARG 398 N -2.44 1.34 -0.00 3.52 0.52 -0.82 -1.84 118.95 119.23 3gvj s ARG 398 Ca 0.00 -0.68 -0.30 0.00 -0.52 0.00 0.00 55.73 54.23 3gvj s ARG 398 Cb 0.00 -1.32 -0.03 0.00 0.52 0.00 0.00 34.95 34.11 3gvj s ARG 398 CO 0.00 0.36 1.03 -1.17 0.02 0.00 0.00 175.30 175.53 3gvj s LEU 399 N -0.61 4.35 -0.04 2.53 2.96 0.20 -1.30 118.68 126.78 3gvj s LEU 399 Ca 0.06 1.71 0.07 0.00 -0.22 0.00 0.00 54.13 55.75 3gvj s LEU 399 Cb -0.07 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 43.03 3gvj s LEU 399 CO -0.00 -0.33 -0.24 -0.36 -1.32 0.00 0.00 176.35 174.10 3gvj s PHE 400 N 1.17 2.41 -0.08 5.38 0.08 -0.01 -1.75 117.98 125.18 3gvj s PHE 400 Ca 0.53 -0.51 -0.07 0.00 0.12 0.00 0.00 56.93 56.99 3gvj s PHE 400 Cb -0.22 -1.55 0.02 0.00 -0.57 0.00 0.00 43.02 40.70 3gvj s PHE 400 CO 0.27 -0.08 0.22 0.00 -0.10 0.00 0.00 175.22 175.52 3gvj s ALA 401 N -0.45 -0.54 -0.71 5.36 0.00 0.06 -1.81 121.76 123.67 3gvj s ALA 401 Ca 0.05 0.62 -0.22 0.00 0.00 0.00 0.00 51.96 52.41 3gvj s ALA 401 Cb -0.11 -0.37 0.08 0.00 0.00 0.00 0.00 23.12 22.72 3gvj s ALA 401 CO 0.01 -0.11 1.02 1.41 0.00 0.00 0.00 175.76 178.09 3gvj s MET 402 N 0.16 3.20 -0.45 0.00 1.75 -0.68 -1.08 119.30 122.20 3gvj s MET 402 Ca -0.00 -0.96 -0.21 0.00 -1.25 0.00 0.00 55.69 53.27 3gvj s MET 402 Cb -0.02 -4.37 0.03 0.00 2.84 0.00 0.00 34.83 33.31 3gvj s MET 402 CO -0.00 -1.84 0.67 0.42 -0.65 0.00 0.00 175.02 173.62 3gvj s ILE 403 N 3.96 4.80 0.12 10.11 -1.09 -0.17 -4.47 121.20 134.45 3gvj s ILE 403 Ca 0.25 0.10 -0.08 0.00 -2.23 0.00 0.00 60.65 58.69 3gvj s ILE 403 Cb -0.14 -4.24 -0.06 0.00 -1.58 0.00 0.00 42.46 36.44 3gvj s ILE 403 CO 0.07 -0.65 0.41 -1.61 -1.23 0.00 0.00 174.94 171.93 3gvj s GLU 404 N 2.89 3.71 -0.18 2.79 2.02 0.08 -2.06 118.70 127.96 3gvj s GLU 404 Ca 0.23 0.09 -0.05 0.00 0.02 0.00 0.00 54.97 55.27 3gvj s GLU 404 Cb -0.14 -2.90 -0.03 0.00 0.10 0.00 0.00 34.13 31.16 3gvj s GLU 404 CO 0.19 0.50 -0.01 0.99 0.02 0.00 0.00 175.26 176.95 3gvj s THR 405 N -1.54 4.01 0.12 3.63 2.01 -0.57 -1.36 115.64 121.93 3gvj s THR 405 Ca 0.38 -0.30 0.04 0.00 0.31 0.00 0.00 61.69 62.11 3gvj s THR 405 Cb -0.13 -2.79 -0.04 0.00 0.01 0.00 0.00 72.50 69.55 3gvj s THR 405 CO 0.21 0.46 -0.10 -0.13 -0.69 0.00 0.00 174.62 174.36 3gvj s ARG 406 N 0.70 0.96 0.30 4.92 0.52 -0.18 -0.69 118.95 125.48 3gvj s ARG 406 Ca -0.00 -1.30 -0.27 0.00 -0.52 0.00 0.00 55.73 53.63 3gvj s ARG 406 Cb -0.14 -0.60 -0.09 0.00 0.52 0.00 0.00 34.95 34.64 3gvj s ARG 406 CO 0.02 0.08 0.98 0.95 0.02 0.00 0.00 175.30 177.36 3gvj s THR 407 N -2.83 4.00 0.19 0.02 -4.23 -0.54 -1.51 115.64 110.74 3gvj s THR 407 Ca 0.11 1.79 -0.04 0.00 -1.18 0.00 0.00 61.69 62.37 3gvj s THR 407 Cb -0.00 -4.05 -0.03 0.00 1.34 0.00 0.00 72.50 69.75 3gvj s THR 407 CO 0.00 0.26 1.53 -0.07 -0.54 0.00 0.00 174.62 175.81 3gvj h LEU 408 N 3.46 0.69 -0.53 4.79 4.07 -1.70 0.34 115.31 126.43 3gvj h LEU 408 Ca -0.46 -0.33 0.01 0.00 0.08 0.00 0.00 57.88 57.17 3gvj h LEU 408 Cb 1.20 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 42.72 3gvj h LEU 408 CO 0.66 1.05 0.35 0.00 -1.08 0.00 0.00 178.44 179.41 3gvj h ALA 409 N 0.98 0.68 0.00 1.53 0.00 -1.89 -3.37 119.26 117.19 3gvj h ALA 409 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gvj h ALA 409 Cb 0.99 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3gvj h ALA 409 CO 0.09 0.11 0.00 1.63 0.00 0.00 0.00 179.25 181.08 3gvj n LYS 410 N -4.72 0.05 -2.52 0.00 4.76 -1.24 -5.01 118.16 109.48 3gvj n LYS 410 Ca 0.03 -0.36 -0.21 0.00 -2.87 0.00 0.00 58.31 54.91 3gvj n LYS 410 Cb 0.03 -0.66 -0.00 0.00 -1.84 0.00 0.00 35.03 32.55 3gvj n LYS 410 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3gvj n ASN 411 N -0.05 -5.79 -4.72 4.39 5.15 0.11 -4.95 115.26 109.40 3gvj n ASN 411 Ca 0.00 -0.05 -0.41 0.00 -0.60 0.00 0.00 54.58 53.52 3gvj n ASN 411 Cb 0.24 -4.80 -0.04 0.00 -0.53 0.00 0.00 39.78 34.65 3gvj n ASN 411 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3gvj s ALA 412 N -3.03 3.23 0.07 5.20 0.00 -1.26 -4.65 121.76 121.33 3gvj s ALA 412 Ca 0.06 0.51 -0.31 0.00 0.00 0.00 0.00 51.96 52.22 3gvj s ALA 412 Cb -0.03 -3.25 -0.07 0.00 0.00 0.00 0.00 23.12 19.77 3gvj s ALA 412 CO 0.07 -0.09 1.39 -1.17 0.00 0.00 0.00 175.76 175.96 3gvj s LEU 413 N 0.38 4.35 -0.01 0.00 2.96 -1.26 -1.47 118.68 123.63 3gvj s LEU 413 Ca 0.47 2.25 0.03 0.00 -0.22 0.00 0.00 54.13 56.66 3gvj s LEU 413 Cb -0.22 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 42.84 3gvj s LEU 413 CO 0.28 -0.67 0.06 0.35 -1.32 0.00 0.00 176.35 175.05 3gvj n THR 414 N 4.20 0.06 -3.55 3.68 -2.24 0.14 -4.97 114.28 111.60 3gvj n THR 414 Ca 0.12 -0.09 -0.17 0.00 -2.27 0.00 0.00 64.05 61.64 3gvj n THR 414 Cb 0.43 0.07 -0.06 0.00 -2.10 0.00 0.00 70.33 68.66 3gvj n THR 414 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3gvj s ASN 415 N -2.66 -0.67 -0.11 3.42 3.84 -1.19 -4.28 114.94 113.30 3gvj s ASN 415 Ca -0.01 0.88 0.03 0.00 0.21 0.00 0.00 52.86 53.97 3gvj s ASN 415 Cb 0.02 0.75 0.00 0.00 -0.55 0.00 0.00 41.25 41.48 3gvj s ASN 415 CO 0.14 -0.52 -0.22 0.00 -2.79 0.00 0.00 177.10 173.71 3gvj s ALA 417 N 0.53 0.63 -0.22 0.00 0.00 -0.87 -0.65 121.76 121.16 3gvj s ALA 417 Ca -0.15 -0.13 -0.26 0.00 0.00 0.00 0.00 51.96 51.42 3gvj s ALA 417 Cb -0.17 -0.32 -0.00 0.00 0.00 0.00 0.00 23.12 22.63 3gvj s ALA 417 CO 0.05 0.05 0.90 -1.17 0.00 0.00 0.00 175.76 175.59 3gvj s LEU 418 N 0.53 4.11 -0.07 0.00 2.96 -0.44 -1.00 118.68 124.75 3gvj s LEU 418 Ca -0.07 1.17 0.02 0.00 -0.22 0.00 0.00 54.13 55.04 3gvj s LEU 418 Cb -0.10 -3.31 -0.02 0.00 0.50 0.00 0.00 46.19 43.25 3gvj s LEU 418 CO 0.00 -0.54 -0.12 0.26 -1.32 0.00 0.00 176.35 174.64 3gvj s TRP 419 N 2.79 2.79 0.04 5.38 0.52 -0.24 -0.88 118.94 129.34 3gvj s TRP 419 Ca 0.39 -0.21 -0.06 0.00 0.02 0.00 0.00 56.10 56.23 3gvj s TRP 419 Cb -0.16 -1.70 -0.01 0.00 -1.15 0.00 0.00 33.47 30.45 3gvj s TRP 419 CO 0.08 0.14 0.12 0.16 0.02 0.00 0.00 176.95 177.46 3gvj s ASP 420 N -0.50 0.15 -0.17 2.95 1.47 -0.62 -0.76 116.67 119.18 3gvj s ASP 420 Ca 0.07 -0.49 -0.21 0.00 1.18 0.00 0.00 52.55 53.10 3gvj s ASP 420 Cb -0.12 0.24 0.05 0.00 -0.34 0.00 0.00 42.92 42.75 3gvj s ASP 420 CO 0.02 -0.51 0.55 -0.60 0.68 0.00 0.00 175.17 175.31 3gvj s ARG 421 N -2.56 0.71 0.37 2.11 3.52 -0.72 -1.09 118.95 121.29 3gvj s ARG 421 Ca -0.05 0.61 -0.27 0.00 -0.13 0.00 0.00 55.73 55.89 3gvj s ARG 421 Cb -0.01 0.34 -0.09 0.00 -1.56 0.00 0.00 34.95 33.62 3gvj s ARG 421 CO -0.04 -0.12 1.29 -1.25 -0.81 0.00 0.00 175.30 174.36 3gvj s PRO 422 N -0.07 4.17 0.27 5.12 0.04 -1.26 -0.63 135.00 142.64 3gvj s PRO 422 Ca -0.03 2.14 -0.25 0.00 0.04 0.00 0.00 61.00 62.91 3gvj s PRO 422 Cb -0.03 -2.90 -0.09 0.00 0.04 0.00 0.00 34.50 31.51 3gvj s PRO 422 CO 0.02 -0.32 0.87 -1.64 0.04 0.00 0.00 177.00 175.97 3gvj s MET 423 N -2.03 4.51 0.09 4.56 -1.94 -0.76 -3.15 119.30 120.57 3gvj s MET 423 Ca 0.53 1.20 -0.31 0.00 -1.71 0.00 0.00 55.69 55.40 3gvj s MET 423 Cb -0.38 -2.90 -0.07 0.00 2.01 0.00 0.00 34.83 33.49 3gvj s MET 423 CO 0.50 0.36 1.29 -1.12 -0.01 0.00 0.00 175.02 176.04 3gvj s SER 424 N -1.55 6.95 -0.03 3.03 0.01 -1.26 -4.57 113.70 116.28 3gvj s SER 424 Ca 0.46 2.17 -0.08 0.00 1.31 0.00 0.00 55.95 59.82 3gvj s SER 424 Cb -0.19 -2.58 0.01 0.00 0.21 0.00 0.00 66.02 63.47 3gvj s SER 424 CO 0.24 -0.56 0.18 -0.13 0.41 0.00 0.00 173.24 173.38 3gvj s ARG 425 N 1.07 0.38 -0.18 12.44 0.52 -1.24 -4.96 118.95 126.97 3gvj s ARG 425 Ca 0.62 -0.08 -0.06 0.00 -0.52 0.00 0.00 55.73 55.69 3gvj s ARG 425 Cb -0.33 0.17 -0.03 0.00 0.52 0.00 0.00 34.95 35.27 3gvj s ARG 425 CO 0.30 -0.08 0.02 -1.12 0.02 0.00 0.00 175.30 174.43 3gvj s SER 426 N -0.70 5.16 -0.08 0.23 0.01 -1.26 -2.18 113.70 114.88 3gvj s SER 426 Ca -0.08 -0.06 0.03 0.00 1.31 0.00 0.00 55.95 57.15 3gvj s SER 426 Cb -0.05 -1.87 -0.02 0.00 0.21 0.00 0.00 66.02 64.30 3gvj s SER 426 CO 0.01 0.14 -0.18 -0.76 0.41 0.00 0.00 173.24 172.86 3gvj s LEU 427 N 0.56 2.47 -0.30 2.44 1.43 0.57 -4.90 118.68 120.95 3gvj s LEU 427 Ca 0.00 -0.36 0.03 0.00 -1.03 0.00 0.00 54.13 52.78 3gvj s LEU 427 Cb -0.14 -1.50 0.08 0.00 0.03 0.00 0.00 46.19 44.67 3gvj s LEU 427 CO 0.02 0.25 -0.02 -1.00 0.23 0.00 0.00 176.35 175.83 3gvj s HIS 428 N -0.18 3.48 0.32 0.29 3.76 -1.26 -1.33 115.29 120.37 3gvj s HIS 428 Ca -0.01 -2.65 0.08 0.00 -0.15 0.00 0.00 55.06 52.32 3gvj s HIS 428 Cb -0.13 -2.43 -0.06 0.00 1.11 0.00 0.00 32.58 31.07 3gvj s HIS 428 CO 0.03 -0.91 -0.07 -0.51 -0.85 0.00 0.00 174.74 172.43 3gvj s LEU 429 N 1.01 2.60 -0.13 0.89 1.43 -0.67 -4.97 118.68 118.85 3gvj s LEU 429 Ca 0.02 -1.21 0.00 0.00 -1.03 0.00 0.00 54.13 51.91 3gvj s LEU 429 Cb -0.19 -0.80 0.02 0.00 0.03 0.00 0.00 46.19 45.25 3gvj s LEU 429 CO -0.07 -0.30 -0.12 -0.89 0.23 0.00 0.00 176.35 175.21 3gvj s THR 430 N -2.83 1.35 0.05 5.49 2.01 -1.26 -1.20 115.64 119.25 3gvj s THR 430 Ca 0.31 -0.51 0.00 0.00 0.31 0.00 0.00 61.69 61.80 3gvj s THR 430 Cb 0.04 -1.29 0.00 0.00 0.01 0.00 0.00 72.50 71.26 3gvj s THR 430 CO 0.14 0.42 0.00 0.61 -0.69 0.00 0.00 174.62 175.10 3gvj n GLY 431 N 4.68 -1.82 0.00 4.40 0.00 -0.71 -4.78 105.19 106.96 3gvj n GLY 431 Ca -0.16 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.55 3gvj n GLY 431 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gvj n GLY 432 N -0.80 0.42 3.44 -0.02 0.00 -1.26 -4.90 105.19 102.07 3gvj n GLY 432 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3gvj n GLY 432 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gvj s ILE 433 N -2.00 3.79 0.09 -0.61 1.01 -1.26 -0.48 121.20 121.74 3gvj s ILE 433 Ca 0.00 -0.38 0.08 0.00 0.00 0.00 0.00 60.65 60.35 3gvj s ILE 433 Cb 0.00 -2.69 -0.03 0.00 0.01 0.00 0.00 42.46 39.75 3gvj s ILE 433 CO 0.00 0.45 -0.20 0.42 0.00 0.00 0.00 174.94 175.62 3gvj s THR 434 N 0.81 1.61 -0.20 2.92 -4.23 -0.63 -2.11 115.64 113.81 3gvj s THR 434 Ca -0.01 -1.43 -0.04 0.00 -1.18 0.00 0.00 61.69 59.03 3gvj s THR 434 Cb -0.14 -1.46 0.09 0.00 1.34 0.00 0.00 72.50 72.33 3gvj s THR 434 CO 0.02 -0.03 0.20 -0.75 -0.54 0.00 0.00 174.62 173.52 3gvj s LYS 435 N -1.72 0.17 0.40 3.99 2.20 -0.57 -0.96 119.74 123.25 3gvj s LYS 435 Ca 0.05 0.13 -0.27 0.00 -0.36 0.00 0.00 55.97 55.53 3gvj s LYS 435 Cb -0.10 -1.31 -0.10 0.00 -1.51 0.00 0.00 37.83 34.82 3gvj s LYS 435 CO 0.03 -0.67 1.40 0.00 -0.36 0.00 0.00 175.35 175.75 3gvj s ALA 436 N 2.29 3.40 0.63 3.13 0.00 -1.26 -1.33 121.76 128.63 3gvj s ALA 436 Ca 0.06 1.43 -0.19 0.00 0.00 0.00 0.00 51.96 53.26 3gvj s ALA 436 Cb -0.16 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.38 3gvj s ALA 436 CO -0.13 -0.98 1.27 0.00 0.00 0.00 0.00 175.76 175.92 3gvj n ALA 437 N 0.26 1.12 -1.45 0.00 0.00 -1.26 -3.44 120.51 115.73 3gvj n ALA 437 Ca 0.02 0.02 -0.15 0.00 0.00 0.00 0.00 53.44 53.33 3gvj n ALA 437 Cb 0.41 -2.31 -0.06 0.00 0.00 0.00 0.00 19.45 17.49 3gvj n ALA 437 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3gvj n ASN 438 N -1.68 -4.82 -3.72 0.00 3.02 0.19 -4.96 115.26 103.28 3gvj n ASN 438 Ca 0.15 0.37 -0.10 0.00 -0.03 0.00 0.00 54.58 54.97 3gvj n ASN 438 Cb 0.47 -3.67 -0.05 0.00 -0.61 0.00 0.00 39.78 35.93 3gvj n ASN 438 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gvj s GLN 439 N -3.31 1.10 0.02 3.52 1.03 -1.22 -4.98 119.66 115.83 3gvj s GLN 439 Ca 0.00 -0.82 0.24 0.00 0.04 0.00 0.00 55.36 54.82 3gvj s GLN 439 Cb 0.00 0.45 0.28 0.00 0.03 0.00 0.00 33.01 33.77 3gvj s GLN 439 CO 0.00 -0.43 1.24 0.54 -2.54 0.00 0.00 175.29 174.11 3gvj n ARG 440 N -0.22 0.09 -3.50 9.60 1.74 -1.26 -4.59 116.66 118.52 3gvj n ARG 440 Ca -0.14 0.01 -0.34 0.00 -0.77 0.00 0.00 57.85 56.61 3gvj n ARG 440 Cb 0.63 -1.54 -0.05 0.00 -1.02 0.00 0.00 32.46 30.48 3gvj n ARG 440 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3gvj s TYR 441 N -3.06 3.55 0.02 -1.55 1.51 -1.26 -1.76 117.35 114.81 3gvj s TYR 441 Ca 0.08 0.85 0.07 0.00 -1.01 0.00 0.00 57.07 57.07 3gvj s TYR 441 Cb 0.16 -2.22 -0.02 0.00 -0.11 0.00 0.00 41.96 39.77 3gvj s TYR 441 CO 0.75 0.45 -0.22 0.00 -1.11 0.00 0.00 175.55 175.42 3gvj s ALA 442 N -1.51 1.85 -0.21 3.71 0.00 -0.74 -4.30 121.76 120.57 3gvj s ALA 442 Ca 0.37 -1.05 -0.07 0.00 0.00 0.00 0.00 51.96 51.21 3gvj s ALA 442 Cb -0.14 -0.40 -0.04 0.00 0.00 0.00 0.00 23.12 22.54 3gvj s ALA 442 CO 0.19 0.43 0.06 0.99 0.00 0.00 0.00 175.76 177.44 3gvj s THR 443 N -0.70 4.59 -0.27 0.00 2.01 -0.14 -1.75 115.64 119.39 3gvj s THR 443 Ca 0.08 -0.10 -0.06 0.00 0.31 0.00 0.00 61.69 61.93 3gvj s THR 443 Cb -0.09 -3.09 0.01 0.00 0.01 0.00 0.00 72.50 69.33 3gvj s THR 443 CO 0.01 0.41 0.04 -0.63 -0.69 0.00 0.00 174.62 173.76 3gvj s ILE 444 N 0.82 3.75 -0.43 1.82 -1.09 0.07 -1.60 121.20 124.53 3gvj s ILE 444 Ca 0.03 -0.67 -0.22 0.00 -2.23 0.00 0.00 60.65 57.57 3gvj s ILE 444 Cb -0.14 -2.88 0.02 0.00 -1.58 0.00 0.00 42.46 37.89 3gvj s ILE 444 CO 0.02 0.17 0.69 -2.28 -1.23 0.00 0.00 174.94 172.32 3gvj s HIS 445 N 1.48 3.05 -0.29 3.97 5.65 0.37 -2.06 115.29 127.46 3gvj s HIS 445 Ca 0.03 0.06 -0.04 0.00 0.25 0.00 0.00 55.06 55.36 3gvj s HIS 445 Cb -0.16 -3.44 0.10 0.00 -1.18 0.00 0.00 32.58 27.90 3gvj s HIS 445 CO 0.01 -0.89 0.14 0.08 -0.65 0.00 0.00 174.74 173.42 3gvj s VAL 446 N 2.98 -0.08 0.31 0.89 1.01 -0.47 -4.82 120.40 120.22 3gvj s VAL 446 Ca 0.25 -0.77 -0.29 0.00 0.00 0.00 0.00 61.98 61.17 3gvj s VAL 446 Cb -0.13 -0.98 -0.12 0.00 0.00 0.00 0.00 36.38 35.14 3gvj s VAL 446 CO 0.20 -0.72 1.36 -2.65 0.00 0.00 0.00 175.10 173.28 3gvj n PRO 447 N 5.23 2.18 -3.95 2.72 -0.02 -1.25 -2.83 135.00 137.08 3gvj n PRO 447 Ca -0.05 0.77 -0.26 0.00 -2.02 0.00 0.00 63.50 61.94 3gvj n PRO 447 Cb 0.42 -2.40 -0.02 0.00 -0.02 0.00 0.00 33.50 31.48 3gvj n PRO 447 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3gvj n ASP 448 N 1.25 -0.57 0.16 2.55 8.00 -1.12 -4.84 116.55 121.98 3gvj n ASP 448 Ca 0.07 -1.02 0.01 0.00 0.71 0.00 0.00 54.79 54.56 3gvj n ASP 448 Cb 0.35 -3.03 0.29 0.00 -0.02 0.00 0.00 41.12 38.71 3gvj n ASP 448 CO 0.00 0.00 0.00 1.12 -0.39 0.00 0.00 177.20 177.93 3gvj h HIS 449 N -1.85 0.05 -0.57 1.24 2.07 -1.36 -3.44 115.15 111.30 3gvj h HIS 449 Ca -0.63 -0.01 -0.24 0.00 -2.85 0.00 0.00 60.37 56.63 3gvj h HIS 449 Cb 1.38 -0.01 -0.10 0.00 2.57 0.00 0.00 27.41 31.25 3gvj h HIS 449 CO 0.48 0.47 -0.22 0.41 -3.07 0.00 0.00 177.93 176.00 3gvj n GLY 450 N -0.27 1.29 3.92 6.13 0.00 -1.26 -4.88 105.19 110.12 3gvj n GLY 450 Ca -0.02 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.31 3gvj n GLY 450 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gvj s LEU 451 N -2.72 4.31 0.29 0.99 1.43 -1.26 -4.77 118.68 116.94 3gvj s LEU 451 Ca 0.00 0.35 0.10 0.00 -1.03 0.00 0.00 54.13 53.56 3gvj s LEU 451 Cb 0.00 -3.08 -0.05 0.00 0.03 0.00 0.00 46.19 43.09 3gvj s LEU 451 CO 0.00 0.07 -0.08 -0.36 0.23 0.00 0.00 176.35 176.21 3gvj s PHE 452 N -1.66 2.50 0.17 0.29 0.08 -1.26 -4.98 117.98 113.11 3gvj s PHE 452 Ca 0.37 -0.32 -0.33 0.00 0.12 0.00 0.00 56.93 56.77 3gvj s PHE 452 Cb -0.12 -1.18 -0.15 0.00 -0.57 0.00 0.00 43.02 41.00 3gvj s PHE 452 CO 0.28 0.63 1.37 0.28 -0.10 0.00 0.00 175.22 177.67 3gvj n VAL 453 N -0.80 0.53 -0.05 -0.44 0.31 -1.26 -1.62 118.33 114.99 3gvj n VAL 453 Ca -0.05 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 3gvj n VAL 453 Cb 0.60 -1.19 0.00 0.00 -0.91 0.00 0.00 33.84 32.34 3gvj n VAL 453 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gvj n GLY 454 N 2.48 0.86 3.83 2.92 0.00 -0.75 -4.96 105.19 109.57 3gvj n GLY 454 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 3gvj n GLY 454 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gvj s ASP 455 N -2.68 6.16 0.20 1.61 1.01 -0.64 -4.68 116.67 117.65 3gvj s ASP 455 Ca 0.00 1.66 -0.30 0.00 0.71 0.00 0.00 52.55 54.62 3gvj s ASP 455 Cb 0.00 -2.51 -0.08 0.00 1.01 0.00 0.00 42.92 41.34 3gvj s ASP 455 CO 0.00 -0.91 1.04 0.12 0.21 0.00 0.00 175.17 175.63 3gvj s PHE 456 N -2.64 3.73 -0.10 4.23 5.36 -1.26 -1.70 117.98 125.59 3gvj s PHE 456 Ca 0.60 1.73 -0.05 0.00 -0.96 0.00 0.00 56.93 58.26 3gvj s PHE 456 Cb -0.13 -3.17 0.05 0.00 -0.34 0.00 0.00 43.02 39.43 3gvj s PHE 456 CO 0.37 -0.19 0.23 0.14 -1.46 0.00 0.00 175.22 174.31 3gvj s VAL 457 N -0.63 -0.10 -0.08 3.12 -7.23 -0.39 -4.09 120.40 111.00 3gvj s VAL 457 Ca 0.46 0.18 0.02 0.00 -1.81 0.00 0.00 61.98 60.83 3gvj s VAL 457 Cb -0.28 -0.36 -0.02 0.00 0.56 0.00 0.00 36.38 36.27 3gvj s VAL 457 CO 0.35 0.07 -0.13 0.21 -0.31 0.00 0.00 175.10 175.29 3gvj s ASN 458 N 1.46 4.12 0.00 4.85 3.84 0.31 -0.44 114.94 129.08 3gvj s ASN 458 Ca -0.07 -0.21 0.07 0.00 0.21 0.00 0.00 52.86 52.86 3gvj s ASN 458 Cb -0.11 -1.14 -0.02 0.00 -0.55 0.00 0.00 41.25 39.43 3gvj s ASN 458 CO -0.08 0.29 -0.22 -0.36 -2.79 0.00 0.00 177.10 173.93 3gvj s PHE 459 N -0.39 2.00 0.00 0.43 0.08 -0.63 -3.66 117.98 115.82 3gvj s PHE 459 Ca 0.04 -0.38 0.01 0.00 0.12 0.00 0.00 56.93 56.72 3gvj s PHE 459 Cb -0.12 -1.26 -0.00 0.00 -0.57 0.00 0.00 43.02 41.06 3gvj s PHE 459 CO 0.02 0.01 -0.03 0.45 -0.10 0.00 0.00 175.22 175.57 3gvj s SER 460 N -0.73 0.40 -1.46 1.36 0.15 -0.54 -1.33 113.70 111.55 3gvj s SER 460 Ca 0.09 -0.10 -0.09 0.00 0.70 0.00 0.00 55.95 56.55 3gvj s SER 460 Cb -0.09 -0.03 0.04 0.00 -1.71 0.00 0.00 66.02 64.23 3gvj s SER 460 CO -0.00 0.01 0.78 0.59 1.20 0.00 0.00 173.24 175.82 3gvj n ASN 461 N 2.87 -5.26 0.21 5.45 3.02 -1.26 -1.53 115.26 118.76 3gvj n ASN 461 Ca -0.13 -0.49 0.05 0.00 -0.03 0.00 0.00 54.58 53.98 3gvj n ASN 461 Cb 0.59 -4.23 0.46 0.00 -0.61 0.00 0.00 39.78 35.98 3gvj n ASN 461 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 3gvj h SER 462 N -1.70 0.00 -1.69 6.41 4.64 -1.88 -3.39 113.55 115.95 3gvj h SER 462 Ca -0.53 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 60.37 3gvj h SER 462 Cb 1.35 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.32 3gvj h SER 462 CO 0.59 0.29 -0.44 0.00 -0.87 0.00 0.00 176.83 176.40 3gvj n ALA 463 N -2.42 -0.42 -3.79 5.18 0.00 -1.26 -4.75 120.51 113.04 3gvj n ALA 463 Ca -0.02 0.28 -0.30 0.00 0.00 0.00 0.00 53.44 53.40 3gvj n ALA 463 Cb 0.35 -2.10 -0.15 0.00 0.00 0.00 0.00 19.45 17.56 3gvj n ALA 463 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3gvj s VAL 464 N -2.85 1.29 0.05 0.00 1.01 -1.26 -4.75 120.40 113.88 3gvj s VAL 464 Ca 0.00 -1.84 -0.37 0.00 0.00 0.00 0.00 61.98 59.76 3gvj s VAL 464 Cb 0.00 -1.95 -0.17 0.00 0.00 0.00 0.00 36.38 34.26 3gvj s VAL 464 CO 0.00 -0.71 1.36 0.41 0.00 0.00 0.00 175.10 176.16 3gvj n THR 465 N 4.45 0.02 0.00 3.92 -1.04 -1.26 -1.25 114.28 119.12 3gvj n THR 465 Ca 0.01 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 3gvj n THR 465 Cb 0.40 -0.80 0.00 0.00 -1.82 0.00 0.00 70.33 68.11 3gvj n THR 465 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3gvj n GLY 466 N 2.59 3.32 3.44 3.41 0.00 -1.26 -4.92 105.19 111.77 3gvj n GLY 466 Ca 0.19 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.77 3gvj n GLY 466 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gvj s VAL 467 N -2.55 4.67 -0.28 1.61 1.01 -0.38 -4.44 120.40 120.03 3gvj s VAL 467 Ca 0.00 -1.28 -0.18 0.00 0.00 0.00 0.00 61.98 60.52 3gvj s VAL 467 Cb 0.00 -4.72 0.12 0.00 0.00 0.00 0.00 36.38 31.77 3gvj s VAL 467 CO 0.00 -1.45 0.89 -0.55 0.00 0.00 0.00 175.10 173.99 3gvj s SER 468 N 3.60 -0.63 0.07 3.32 0.15 -1.26 -4.50 113.70 114.44 3gvj s SER 468 Ca 0.28 1.06 0.00 0.00 0.70 0.00 0.00 55.95 57.99 3gvj s SER 468 Cb -0.09 1.21 0.00 0.00 -1.71 0.00 0.00 66.02 65.43 3gvj s SER 468 CO -0.04 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.84 3gvj n GLY 469 N 3.50 -1.39 3.67 9.45 0.00 -0.44 -4.73 105.19 115.25 3gvj n GLY 469 Ca -0.17 -1.29 -0.43 0.00 0.00 0.00 0.00 46.02 44.13 3gvj n GLY 469 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gvj s ASP 470 N -4.00 7.01 0.33 1.61 1.01 -1.26 -1.61 116.67 119.77 3gvj s ASP 470 Ca 0.00 1.66 0.05 0.00 0.71 0.00 0.00 52.55 54.97 3gvj s ASP 470 Cb 0.00 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.36 3gvj s ASP 470 CO 0.00 -0.69 0.22 -0.04 0.21 0.00 0.00 175.17 174.88 3gvj s MET 471 N 3.06 1.73 0.09 8.23 -1.94 0.42 -4.99 119.30 125.90 3gvj s MET 471 Ca 0.53 -2.01 0.02 0.00 -1.71 0.00 0.00 55.69 52.52 3gvj s MET 471 Cb -0.21 0.08 -0.04 0.00 2.01 0.00 0.00 34.83 36.67 3gvj s MET 471 CO 0.15 -0.57 -0.08 0.95 -0.01 0.00 0.00 175.02 175.46 3gvj s THR 472 N -3.47 0.73 0.01 2.05 -4.23 -1.26 -1.26 115.64 108.19 3gvj s THR 472 Ca 0.36 -1.70 -0.30 0.00 -1.18 0.00 0.00 61.69 58.87 3gvj s THR 472 Cb 0.03 -1.39 -0.05 0.00 1.34 0.00 0.00 72.50 72.42 3gvj s THR 472 CO 0.22 -0.70 1.34 -0.69 -0.54 0.00 0.00 174.62 174.25 3gvj s VAL 473 N -2.90 3.81 -0.13 2.29 1.01 -0.69 -4.54 120.40 119.25 3gvj s VAL 473 Ca 0.06 1.21 0.02 0.00 0.00 0.00 0.00 61.98 63.27 3gvj s VAL 473 Cb 0.00 -3.78 -0.24 0.00 0.00 0.00 0.00 36.38 32.37 3gvj s VAL 473 CO -0.03 0.02 0.30 0.00 0.00 0.00 0.00 175.10 175.39 3gvj n ALA 474 N 5.05 1.19 -2.94 5.51 0.00 0.80 -1.81 120.51 128.32 3gvj n ALA 474 Ca 0.12 -0.80 -0.11 0.00 0.00 0.00 0.00 53.44 52.65 3gvj n ALA 474 Cb 0.44 -0.57 -0.08 0.00 0.00 0.00 0.00 19.45 19.25 3gvj n ALA 474 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3gvj s THR 475 N -2.55 0.09 -0.24 0.00 -4.23 -1.17 -4.88 115.64 102.67 3gvj s THR 475 Ca -0.19 -0.77 -0.03 0.00 -1.18 0.00 0.00 61.69 59.52 3gvj s THR 475 Cb 0.07 -0.94 0.01 0.00 1.34 0.00 0.00 72.50 72.98 3gvj s THR 475 CO 0.76 -0.42 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.68 3gvj s VAL 476 N -2.61 3.12 -0.11 2.29 1.01 -1.26 -1.24 120.40 121.60 3gvj s VAL 476 Ca -0.05 -0.79 -0.28 0.00 0.00 0.00 0.00 61.98 60.87 3gvj s VAL 476 Cb -0.01 -2.51 -0.26 0.00 0.00 0.00 0.00 36.38 33.60 3gvj s VAL 476 CO -0.04 0.29 0.86 0.40 0.00 0.00 0.00 175.10 176.61 3gvj h ILE 477 N 5.94 1.71 -2.07 2.22 2.04 -1.69 -3.49 117.51 122.17 3gvj h ILE 477 Ca -0.37 -2.19 -0.00 0.00 1.00 0.00 0.00 64.86 63.30 3gvj h ILE 477 Cb 1.13 3.19 0.00 0.00 -0.74 0.00 0.00 36.82 40.40 3gvj h ILE 477 CO 0.59 0.58 0.04 -0.90 0.00 0.00 0.00 178.15 178.46 3gvj n ASP 478 N -4.59 -0.26 0.31 1.72 5.68 -1.02 -4.98 116.55 113.41 3gvj n ASP 478 Ca -0.10 -1.18 0.21 0.00 -0.50 0.00 0.00 54.79 53.22 3gvj n ASP 478 Cb 0.48 0.43 1.09 0.00 -1.14 0.00 0.00 41.12 41.98 3gvj n ASP 478 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 3gvj h LYS 479 N 0.00 0.00 -0.00 0.11 2.10 -1.96 -2.78 116.57 114.03 3gvj h LYS 479 Ca -0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 3gvj h LYS 479 Cb 0.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.47 3gvj h LYS 479 CO 0.05 0.00 -0.02 -0.25 -2.00 0.00 0.00 179.45 177.23 3gvj n ASP 480 N -2.96 1.16 -3.82 7.07 8.00 -1.26 -2.80 116.55 121.94 3gvj n ASP 480 Ca -0.02 -1.08 -0.12 0.00 0.71 0.00 0.00 54.79 54.27 3gvj n ASP 480 Cb 0.09 0.13 -0.13 0.00 -0.02 0.00 0.00 41.12 41.19 3gvj n ASP 480 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3gvj s ASN 481 N -0.44 -0.15 0.15 -2.24 -0.87 -1.05 -1.37 114.94 108.97 3gvj s ASN 481 Ca 0.04 0.30 -0.06 0.00 -1.57 0.00 0.00 52.86 51.57 3gvj s ASN 481 Cb 0.03 0.30 -0.02 0.00 -0.02 0.00 0.00 41.25 41.54 3gvj s ASN 481 CO 0.06 -0.06 0.19 0.72 -2.57 0.00 0.00 177.10 175.44 3gvj s PHE 482 N 0.16 0.55 0.24 2.20 -0.71 -0.87 -1.78 117.98 117.77 3gvj s PHE 482 Ca -0.01 -0.92 0.11 0.00 -1.04 0.00 0.00 56.93 55.07 3gvj s PHE 482 Cb -0.02 -0.21 -0.05 0.00 -1.21 0.00 0.00 43.02 41.53 3gvj s PHE 482 CO -0.00 -0.63 -0.19 0.95 -1.34 0.00 0.00 175.22 174.01 3gvj s THR 483 N -3.99 2.58 0.10 -4.49 -4.23 -0.37 -0.75 115.64 104.49 3gvj s THR 483 Ca 0.19 -2.18 0.07 0.00 -1.18 0.00 0.00 61.69 58.59 3gvj s THR 483 Cb 0.05 -2.31 -0.03 0.00 1.34 0.00 0.00 72.50 71.54 3gvj s THR 483 CO -0.00 -0.28 -0.19 0.68 -0.54 0.00 0.00 174.62 174.29 3gvj s VAL 484 N -2.15 1.54 -0.40 2.29 -7.23 -0.72 -0.14 120.40 113.59 3gvj s VAL 484 Ca 0.27 -1.52 -0.22 0.00 -1.81 0.00 0.00 61.98 58.69 3gvj s VAL 484 Cb -0.06 -1.45 0.01 0.00 0.56 0.00 0.00 36.38 35.44 3gvj s VAL 484 CO 0.14 -0.14 0.73 -0.22 -0.31 0.00 0.00 175.10 175.29 3gvj s LEU 485 N -1.96 4.24 0.57 1.32 2.96 -1.26 -1.79 118.68 122.76 3gvj s LEU 485 Ca 0.05 0.08 -0.06 0.00 -0.22 0.00 0.00 54.13 53.98 3gvj s LEU 485 Cb -0.09 -2.91 -0.00 0.00 0.50 0.00 0.00 46.19 43.69 3gvj s LEU 485 CO 0.04 -0.76 0.89 0.42 -1.32 0.00 0.00 176.35 175.62 3gvj s THR 486 N 3.02 3.89 -2.19 3.68 -4.23 -0.72 -4.97 115.64 114.13 3gvj s THR 486 Ca 0.28 0.07 0.23 0.00 -1.18 0.00 0.00 61.69 61.09 3gvj s THR 486 Cb -0.13 -3.53 0.56 0.00 1.34 0.00 0.00 72.50 70.73 3gvj s THR 486 CO 0.18 -0.55 1.73 -0.81 -0.54 0.00 0.00 174.62 174.63 3gvj n PRO 487 N -2.54 1.38 -4.02 3.99 -0.04 -1.26 -4.81 135.00 127.69 3gvj n PRO 487 Ca 0.04 -0.57 -0.10 0.00 -0.04 0.00 0.00 63.50 62.84 3gvj n PRO 487 Cb 0.57 -1.39 -0.05 0.00 -0.04 0.00 0.00 33.50 32.58 3gvj n PRO 487 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3gvj s ASN 488 N -1.71 -0.01 0.03 3.54 2.20 -1.26 -5.12 114.94 112.61 3gvj s ASN 488 Ca 0.34 -1.01 -0.02 0.00 -0.94 0.00 0.00 52.86 51.24 3gvj s ASN 488 Cb 0.17 0.58 -0.02 0.00 -2.00 0.00 0.00 41.25 39.98 3gvj s ASN 488 CO 0.28 -1.14 0.01 0.00 -2.94 0.00 0.00 177.10 173.31 3gvj s GLN 489 N -3.93 0.46 0.19 3.55 -2.07 -1.26 -4.44 119.66 112.15 3gvj s GLN 489 Ca 0.24 -0.77 0.08 0.00 -1.82 0.00 0.00 55.36 53.09 3gvj s GLN 489 Cb -0.00 0.17 -0.04 0.00 -1.09 0.00 0.00 33.01 32.04 3gvj s GLN 489 CO 0.10 -0.09 -0.15 -0.65 -1.32 0.00 0.00 175.29 173.18 3gvj s GLN 490 N -2.29 1.28 0.00 9.60 1.11 -1.26 -4.92 119.66 123.17 3gvj s GLN 490 Ca -0.08 -1.52 0.27 0.00 0.01 0.00 0.00 55.36 54.04 3gvj s GLN 490 Cb -0.04 -1.13 0.89 0.00 -1.01 0.00 0.00 33.01 31.72 3gvj s GLN 490 CO -0.04 0.20 1.66 0.25 0.01 0.00 0.00 175.29 177.37 3gvj n THR 491 N -0.16 0.00 -4.35 -0.19 -2.24 -1.26 -0.64 114.28 105.44 3gvj n THR 491 Ca -0.10 -0.06 -0.18 0.00 -2.27 0.00 0.00 64.05 61.44 3gvj n THR 491 Cb 0.59 0.11 -0.10 0.00 -2.10 0.00 0.00 70.33 68.83 3gvj n THR 491 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3gvj s SER 492 N -2.67 2.30 0.50 3.42 1.04 -1.26 -4.73 113.70 112.30 3gvj s SER 492 Ca 0.21 -1.13 -0.22 0.00 0.48 0.00 0.00 55.95 55.29 3gvj s SER 492 Cb 0.19 -0.09 -0.06 0.00 0.10 0.00 0.00 66.02 66.16 3gvj s SER 492 CO 0.55 -0.35 1.21 -1.81 0.98 0.00 0.00 173.24 173.82 3gvj s ASP 493 N -3.33 5.85 0.06 7.02 1.01 -1.26 -4.12 116.67 121.90 3gvj s ASP 493 Ca 0.26 2.41 0.09 0.00 0.71 0.00 0.00 52.55 56.01 3gvj s ASP 493 Cb 0.03 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.32 3gvj s ASP 493 CO 0.08 -1.15 -0.23 -0.76 0.21 0.00 0.00 175.17 173.32 3gvj s LEU 494 N -3.29 2.21 -0.29 1.23 1.43 -0.44 -4.92 118.68 114.62 3gvj s LEU 494 Ca 0.67 -0.60 -0.06 0.00 -1.03 0.00 0.00 54.13 53.11 3gvj s LEU 494 Cb -0.31 -1.09 0.15 0.00 0.03 0.00 0.00 46.19 44.96 3gvj s LEU 494 CO 0.37 0.18 0.59 0.21 0.23 0.00 0.00 176.35 177.93 3gvj s ASN 495 N -1.42 -1.06 -0.19 2.29 3.84 -1.26 -1.51 114.94 115.63 3gvj s ASN 495 Ca 0.10 1.21 0.05 0.00 0.21 0.00 0.00 52.86 54.42 3gvj s ASN 495 Cb -0.09 2.10 0.40 0.00 -0.55 0.00 0.00 41.25 43.11 3gvj s ASN 495 CO 0.03 -0.24 1.35 -0.46 -2.79 0.00 0.00 177.10 174.98 3gvj n ASN 496 N 5.43 3.49 -4.60 -4.21 6.94 -0.90 -4.97 115.26 116.45 3gvj n ASN 496 Ca -0.07 -2.70 -0.47 0.00 -0.02 0.00 0.00 54.58 51.32 3gvj n ASN 496 Cb 0.50 -0.65 -0.03 0.00 -2.36 0.00 0.00 39.78 37.24 3gvj n ASN 496 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3gvj n ALA 497 N -0.04 -0.23 -0.51 -2.53 0.00 -1.26 -1.30 120.51 114.64 3gvj n ALA 497 Ca 0.24 0.43 0.00 0.00 0.00 0.00 0.00 53.44 54.11 3gvj n ALA 497 Cb 0.96 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 18.34 3gvj n ALA 497 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gvj n GLY 498 N 1.78 1.64 3.86 0.00 0.00 -1.26 -4.86 105.19 106.35 3gvj n GLY 498 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 3gvj n GLY 498 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gvj s LYS 499 N -0.08 3.59 -0.21 1.61 2.36 -0.42 -4.85 119.74 121.75 3gvj s LYS 499 Ca 0.00 -0.05 -0.16 0.00 -2.55 0.00 0.00 55.97 53.21 3gvj s LYS 499 Cb 0.00 -3.22 -0.04 0.00 -1.05 0.00 0.00 37.83 33.52 3gvj s LYS 499 CO 0.00 0.71 0.41 -0.80 1.55 0.00 0.00 175.35 177.23 3gvj s ASN 500 N -0.88 6.43 0.33 1.43 0.01 -1.26 -1.73 114.94 119.27 3gvj s ASN 500 Ca 0.16 0.51 0.07 0.00 -0.71 0.00 0.00 52.86 52.89 3gvj s ASN 500 Cb -0.13 -2.24 -0.03 0.00 0.41 0.00 0.00 41.25 39.27 3gvj s ASN 500 CO 0.05 -0.11 0.27 -1.66 -1.51 0.00 0.00 177.10 174.14 3gvj s TRP 501 N 1.46 1.75 0.00 2.20 1.48 -0.34 -4.83 118.94 120.66 3gvj s TRP 501 Ca 0.19 -1.65 0.01 0.00 -1.06 0.00 0.00 56.10 53.59 3gvj s TRP 501 Cb -0.15 -0.72 -0.00 0.00 -1.16 0.00 0.00 33.47 31.44 3gvj s TRP 501 CO 0.08 -0.86 -0.04 -1.01 -4.06 0.00 0.00 176.95 171.07 3gvj s HIS 502 N -3.46 0.35 0.30 1.66 3.76 -0.58 -1.67 115.29 115.64 3gvj s HIS 502 Ca 0.40 -0.10 0.07 0.00 -0.15 0.00 0.00 55.06 55.28 3gvj s HIS 502 Cb 0.02 -0.22 -0.06 0.00 1.11 0.00 0.00 32.58 33.43 3gvj s HIS 502 CO 0.27 -0.01 -0.05 1.41 -0.85 0.00 0.00 174.74 175.51 3gvj s MET 503 N -0.21 1.62 0.00 1.40 1.75 -0.44 -1.46 119.30 121.97 3gvj s MET 503 Ca 0.00 -1.84 0.00 0.00 -1.25 0.00 0.00 55.69 52.60 3gvj s MET 503 Cb -0.02 -1.23 0.00 0.00 2.84 0.00 0.00 34.83 36.42 3gvj s MET 503 CO -0.00 0.02 0.00 0.41 -0.65 0.00 0.00 175.02 174.80 3gvj n GLY 504 N -0.65 -0.03 3.81 2.11 0.00 -1.18 -0.31 105.19 108.95 3gvj n GLY 504 Ca -0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 3gvj n GLY 504 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gvj s THR 505 N 0.00 2.97 -0.20 2.61 -4.23 -0.93 0.11 115.64 115.98 3gvj s THR 505 Ca 0.00 -1.49 -0.05 0.00 -1.18 0.00 0.00 61.69 58.97 3gvj s THR 505 Cb 0.00 -3.05 0.10 0.00 1.34 0.00 0.00 72.50 70.89 3gvj s THR 505 CO 0.00 -0.10 0.37 -0.55 -0.54 0.00 0.00 174.62 173.80 3gvj s SER 506 N -3.99 0.08 0.11 3.99 0.15 -1.26 -3.63 113.70 109.17 3gvj s SER 506 Ca 0.42 0.61 -0.22 0.00 0.70 0.00 0.00 55.95 57.47 3gvj s SER 506 Cb -0.03 1.12 -0.07 0.00 -1.71 0.00 0.00 66.02 65.33 3gvj s SER 506 CO 0.25 -0.26 1.71 0.15 1.20 0.00 0.00 173.24 176.29 3gvj h PHE 507 N 8.20 -0.12 -0.06 3.44 3.04 -1.80 -2.83 116.94 126.82 3gvj h PHE 507 Ca -0.17 0.01 -0.09 0.00 3.98 0.00 0.00 57.97 61.70 3gvj h PHE 507 Cb 1.13 0.07 -0.01 0.00 2.56 0.00 0.00 35.95 39.70 3gvj h PHE 507 CO 0.24 -0.09 -0.40 0.45 -2.02 0.00 0.00 178.31 176.50 3gvj h HIS 508 N -0.04 0.15 -0.61 0.41 3.86 -1.96 -2.94 115.15 114.02 3gvj h HIS 508 Ca 0.06 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 3gvj h HIS 508 Cb 0.13 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.57 3gvj h HIS 508 CO -0.17 0.51 0.00 1.63 0.86 0.00 0.00 177.93 180.76 3gvj n LYS 509 N -4.05 2.47 -4.45 2.45 4.76 -1.22 -4.87 118.16 113.25 3gvj n LYS 509 Ca -0.02 -2.27 -0.33 0.00 -2.87 0.00 0.00 58.31 52.82 3gvj n LYS 509 Cb 0.45 -1.50 -0.10 0.00 -1.84 0.00 0.00 35.03 32.04 3gvj n LYS 509 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 3gvj s SER 510 N -1.06 4.87 0.62 4.39 0.01 -1.07 -4.40 113.70 117.05 3gvj s SER 510 Ca 0.42 -0.02 -0.13 0.00 1.31 0.00 0.00 55.95 57.53 3gvj s SER 510 Cb 0.22 -1.24 -0.03 0.00 0.21 0.00 0.00 66.02 65.18 3gvj s SER 510 CO 0.29 0.32 1.03 -2.16 0.41 0.00 0.00 173.24 173.14 3gvj s PRO 511 N -1.18 3.44 0.46 12.44 0.04 -1.26 -4.92 135.00 144.02 3gvj s PRO 511 Ca 0.16 0.91 -0.24 0.00 0.04 0.00 0.00 61.00 61.87 3gvj s PRO 511 Cb -0.11 -2.06 -0.07 0.00 0.04 0.00 0.00 34.50 32.30 3gvj s PRO 511 CO 0.05 -0.70 1.25 -1.58 0.04 0.00 0.00 177.00 176.07 3gvj s TRP 512 N -2.93 2.73 -0.19 0.56 0.52 -1.26 -4.76 118.94 113.61 3gvj s TRP 512 Ca 0.58 1.46 -0.15 0.00 0.02 0.00 0.00 56.10 58.00 3gvj s TRP 512 Cb -0.12 -3.57 -0.04 0.00 -1.15 0.00 0.00 33.47 28.58 3gvj s TRP 512 CO 0.47 -2.00 0.37 0.50 0.02 0.00 0.00 176.95 176.32 3gvj s ARG 513 N -2.57 4.20 -0.17 4.98 3.52 -0.25 -4.93 118.95 123.72 3gvj s ARG 513 Ca 0.63 0.18 0.01 0.00 -0.13 0.00 0.00 55.73 56.41 3gvj s ARG 513 Cb -0.34 -3.51 0.01 0.00 -1.56 0.00 0.00 34.95 29.55 3gvj s ARG 513 CO 0.43 0.03 -0.18 0.15 -0.81 0.00 0.00 175.30 174.92 3gvj s LYS 514 N 1.10 3.08 -0.30 5.12 1.02 -1.26 -1.59 119.74 126.90 3gvj s LYS 514 Ca 0.19 -0.80 -0.02 0.00 0.02 0.00 0.00 55.97 55.36 3gvj s LYS 514 Cb -0.14 -2.60 0.05 0.00 -0.52 0.00 0.00 37.83 34.62 3gvj s LYS 514 CO 0.07 -0.13 0.01 0.99 -0.92 0.00 0.00 175.35 175.37 3gvj s THR 515 N 1.13 3.03 -0.02 2.17 2.01 -0.06 -4.98 115.64 118.93 3gvj s THR 515 Ca 0.01 -1.38 -0.30 0.00 0.31 0.00 0.00 61.69 60.33 3gvj s THR 515 Cb -0.14 -2.75 -0.05 0.00 0.01 0.00 0.00 72.50 69.57 3gvj s THR 515 CO -0.07 -0.12 1.38 -0.62 -0.69 0.00 0.00 174.62 174.50 3gvj s ASP 516 N 1.27 6.87 0.00 3.53 -1.08 -1.26 -1.33 116.67 124.66 3gvj s ASP 516 Ca -0.05 2.05 0.14 0.00 -0.52 0.00 0.00 52.55 54.18 3gvj s ASP 516 Cb -0.20 -2.56 0.16 0.00 -1.46 0.00 0.00 42.92 38.87 3gvj s ASP 516 CO -0.01 -0.72 1.02 0.18 0.52 0.00 0.00 175.17 176.16 3gvj n LEU 517 N 5.58 2.37 0.00 -1.34 4.77 0.17 -4.96 117.00 123.59 3gvj n LEU 517 Ca 0.13 -1.17 0.00 0.00 -0.03 0.00 0.00 56.01 54.94 3gvj n LEU 517 Cb 0.44 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 3gvj n LEU 517 CO 0.58 0.47 0.00 0.61 -1.33 0.00 0.00 177.39 177.72 3gvj n GLY 518 N 0.81 -0.55 3.51 -0.72 0.00 -1.16 -4.22 105.19 102.86 3gvj n GLY 518 Ca 0.10 -1.09 -0.42 0.00 0.00 0.00 0.00 46.02 44.60 3gvj n GLY 518 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gvj s LEU 519 N 0.00 4.26 -0.02 0.99 2.96 -1.26 -0.65 118.68 124.96 3gvj s LEU 519 Ca 0.00 -1.72 -0.35 0.00 -0.22 0.00 0.00 54.13 51.84 3gvj s LEU 519 Cb 0.00 -2.48 -0.14 0.00 0.50 0.00 0.00 46.19 44.07 3gvj s LEU 519 CO 0.00 -1.30 1.70 -0.38 -1.32 0.00 0.00 176.35 175.05 3gvj n ILE 520 N 6.19 0.29 -2.00 6.68 5.41 -1.26 -4.89 119.36 129.79 3gvj n ILE 520 Ca 0.28 -0.05 -0.35 0.00 1.00 0.00 0.00 62.75 63.62 3gvj n ILE 520 Cb 0.50 -1.54 0.03 0.00 -0.71 0.00 0.00 39.64 37.92 3gvj n ILE 520 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3gvj s PRO 521 N 2.58 2.99 -1.32 0.38 0.04 -1.26 -3.67 135.00 134.73 3gvj s PRO 521 Ca 0.88 1.67 -0.06 0.00 0.04 0.00 0.00 61.00 63.53 3gvj s PRO 521 Cb -0.78 -1.95 -0.00 0.00 0.04 0.00 0.00 34.50 31.81 3gvj s PRO 521 CO 0.49 -1.15 0.55 0.43 0.04 0.00 0.00 177.00 177.36 3gvj n SER 522 N -1.75 -1.71 -3.83 6.66 7.64 -1.26 -5.00 113.62 114.37 3gvj n SER 522 Ca 0.12 -0.99 -0.18 0.00 1.01 0.00 0.00 58.87 58.83 3gvj n SER 522 Cb 0.51 -3.23 -0.16 0.00 -1.01 0.00 0.00 64.21 60.31 3gvj n SER 522 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3gvj s VAL 523 N -3.80 0.26 -0.23 0.44 1.01 -1.24 -4.47 120.40 112.37 3gvj s VAL 523 Ca 0.13 0.06 -0.14 0.00 0.00 0.00 0.00 61.98 62.02 3gvj s VAL 523 Cb -0.05 -0.35 -0.17 0.00 0.00 0.00 0.00 36.38 35.82 3gvj s VAL 523 CO 0.87 0.17 -0.05 0.41 0.00 0.00 0.00 175.10 176.50 3gvj n THR 524 N 4.23 1.56 -3.82 3.92 -1.04 0.37 -4.93 114.28 114.56 3gvj n THR 524 Ca -0.24 -0.31 -0.12 0.00 -2.04 0.00 0.00 64.05 61.34 3gvj n THR 524 Cb 0.50 -1.87 -0.12 0.00 -1.82 0.00 0.00 70.33 67.03 3gvj n THR 524 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3gvj s GLU 525 N -2.46 0.29 -0.16 -2.82 2.02 -1.15 -4.79 118.70 109.62 3gvj s GLU 525 Ca -0.33 0.12 -0.11 0.00 0.02 0.00 0.00 54.97 54.68 3gvj s GLU 525 Cb 0.10 0.13 -0.05 0.00 0.10 0.00 0.00 34.13 34.42 3gvj s GLU 525 CO 0.57 -0.05 0.19 0.08 0.02 0.00 0.00 175.26 176.07 3gvj s VAL 526 N -0.23 5.38 -0.19 2.63 1.01 -1.26 -2.55 120.40 125.19 3gvj s VAL 526 Ca -0.03 0.32 -0.09 0.00 0.00 0.00 0.00 61.98 62.17 3gvj s VAL 526 Cb -0.03 -3.51 0.07 0.00 0.00 0.00 0.00 36.38 32.91 3gvj s VAL 526 CO 0.01 0.47 0.44 -2.28 0.00 0.00 0.00 175.10 173.74 3gvj s HIS 527 N 0.01 -0.69 0.00 5.22 5.04 0.65 -3.96 115.29 121.55 3gvj s HIS 527 Ca 0.13 1.43 0.00 0.00 -1.54 0.00 0.00 55.06 55.07 3gvj s HIS 527 Cb -0.12 0.32 0.00 0.00 0.04 0.00 0.00 32.58 32.82 3gvj s HIS 527 CO 0.02 -0.39 0.00 0.45 -2.34 0.00 0.00 174.74 172.47 3gvj n SER 528 N 4.49 0.00 -3.69 9.88 2.88 -0.52 -1.45 113.62 125.20 3gvj n SER 528 Ca -0.20 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.24 3gvj n SER 528 Cb 0.54 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.90 3gvj n SER 528 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 3gvj s PHE 529 N -2.68 -0.65 -0.21 0.66 5.36 -1.26 -2.44 117.98 116.76 3gvj s PHE 529 Ca 0.00 1.39 -0.02 0.00 -0.96 0.00 0.00 56.93 57.34 3gvj s PHE 529 Cb 0.00 0.31 0.06 0.00 -0.34 0.00 0.00 43.02 43.05 3gvj s PHE 529 CO 0.00 -0.36 0.02 0.00 -1.46 0.00 0.00 175.22 173.42 3gvj s ALA 530 N 1.35 1.26 0.18 11.12 0.00 -0.57 -4.70 121.76 130.40 3gvj s ALA 530 Ca -0.09 -0.92 -0.31 0.00 0.00 0.00 0.00 51.96 50.64 3gvj s ALA 530 Cb -0.08 -1.27 -0.09 0.00 0.00 0.00 0.00 23.12 21.68 3gvj s ALA 530 CO -0.13 -1.22 1.45 0.99 0.00 0.00 0.00 175.76 176.85 3gvj s THR 531 N 1.74 2.90 -0.23 0.00 2.01 -1.26 -1.18 115.64 119.62 3gvj s THR 531 Ca -0.01 0.68 -0.13 0.00 0.31 0.00 0.00 61.69 62.55 3gvj s THR 531 Cb -0.17 -3.44 -0.10 0.00 0.01 0.00 0.00 72.50 68.80 3gvj s THR 531 CO -0.09 0.08 -0.31 -0.38 -0.69 0.00 0.00 174.62 173.23 3gvj n ILE 532 N 3.32 1.34 -1.89 1.82 2.08 -0.79 -4.64 119.36 120.61 3gvj n ILE 532 Ca 0.10 -0.26 0.00 0.00 0.56 0.00 0.00 62.75 63.15 3gvj n ILE 532 Cb 0.41 -1.89 0.00 0.00 -0.75 0.00 0.00 39.64 37.41 3gvj n ILE 532 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 3gvj n ASP 533 N -4.12 0.00 0.00 4.38 5.68 -1.08 -5.01 116.55 116.40 3gvj n ASP 533 Ca -0.42 0.00 0.08 0.00 -0.50 0.00 0.00 54.79 53.94 3gvj n ASP 533 Cb 0.78 0.00 0.35 0.00 -1.14 0.00 0.00 41.12 41.11 3gvj n ASP 533 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3gvj n ASN 534 N 0.00 0.01 -0.01 -1.12 5.15 -1.26 -3.71 115.26 114.32 3gvj n ASN 534 Ca 0.00 0.50 0.00 0.00 -0.60 0.00 0.00 54.58 54.49 3gvj n ASN 534 Cb 0.00 -0.51 -0.04 0.00 -0.53 0.00 0.00 39.78 38.71 3gvj n ASN 534 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3gvj n ASN 535 N -1.52 3.92 -0.78 1.20 3.02 -1.26 -4.60 115.26 115.24 3gvj n ASN 535 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 3gvj n ASN 535 Cb 0.19 0.92 0.00 0.00 -0.61 0.00 0.00 39.78 40.28 3gvj n ASN 535 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gvj n GLY 536 N 2.47 1.72 3.69 7.41 0.00 -1.24 -1.05 105.19 118.20 3gvj n GLY 536 Ca -0.04 -0.90 -0.03 0.00 0.00 0.00 0.00 46.02 45.05 3gvj n GLY 536 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3gvj s PHE 537 N -6.11 -0.14 0.14 1.61 -0.12 -1.06 -1.89 117.98 110.42 3gvj s PHE 537 Ca 0.00 -0.09 0.10 0.00 -0.05 0.00 0.00 56.93 56.89 3gvj s PHE 537 Cb 0.00 0.60 -0.04 0.00 -0.63 0.00 0.00 43.02 42.95 3gvj s PHE 537 CO 0.00 -0.65 -0.25 0.00 -0.05 0.00 0.00 175.22 174.27 3gvj s ALA 538 N -3.04 2.29 -0.03 1.99 0.00 -0.32 -1.07 121.76 121.58 3gvj s ALA 538 Ca 0.12 -1.46 0.04 0.00 0.00 0.00 0.00 51.96 50.66 3gvj s ALA 538 Cb 0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.77 3gvj s ALA 538 CO -0.01 0.48 -0.16 -1.64 0.00 0.00 0.00 175.76 174.44 3gvj s MET 539 N -2.15 1.46 0.77 0.00 -1.94 0.08 -1.51 119.30 116.01 3gvj s MET 539 Ca 0.14 -0.56 -0.11 0.00 -1.71 0.00 0.00 55.69 53.45 3gvj s MET 539 Cb -0.10 -1.34 0.05 0.00 2.01 0.00 0.00 34.83 35.46 3gvj s MET 539 CO 0.06 0.28 1.08 0.20 -0.01 0.00 0.00 175.02 176.63 3gvj s GLY 540 N -0.14 1.65 0.20 -0.03 0.00 -0.53 0.07 107.32 108.54 3gvj s GLY 540 Ca 0.01 0.07 -0.22 0.00 0.00 0.00 0.00 44.72 44.58 3gvj s GLY 540 CO 0.01 0.43 0.63 -2.52 0.00 0.00 0.00 173.10 171.64 3gvj s TYR 541 N -3.01 -0.37 0.07 1.90 1.13 -0.80 -0.25 117.35 116.02 3gvj s TYR 541 Ca 0.60 0.06 -0.10 0.00 -1.41 0.00 0.00 57.07 56.21 3gvj s TYR 541 Cb -0.16 0.58 0.01 0.00 -1.10 0.00 0.00 41.96 41.30 3gvj s TYR 541 CO 0.55 -0.98 0.23 -3.38 -2.51 0.00 0.00 175.55 169.46 3gvj s HIS 542 N -3.82 0.04 -0.13 -3.49 -3.43 -1.06 -2.01 115.29 101.40 3gvj s HIS 542 Ca 0.05 -0.35 0.01 0.00 -0.80 0.00 0.00 55.06 53.97 3gvj s HIS 542 Cb -0.03 0.01 0.02 0.00 -1.43 0.00 0.00 32.58 31.15 3gvj s HIS 542 CO -0.05 -0.52 -0.14 -1.14 -2.00 0.00 0.00 174.74 170.89 3gvj s GLN 543 N -3.25 2.24 -0.02 -0.38 -0.44 0.14 -0.48 119.66 117.47 3gvj s GLN 543 Ca 0.00 -0.55 0.03 0.00 -2.50 0.00 0.00 55.36 52.35 3gvj s GLN 543 Cb 0.02 -2.00 0.05 0.00 -1.64 0.00 0.00 33.01 29.43 3gvj s GLN 543 CO -0.08 -0.17 0.98 0.41 0.50 0.00 0.00 175.29 176.93 3gvj n GLY 544 N 4.56 0.97 0.08 2.59 0.00 -1.26 -1.46 105.19 110.66 3gvj n GLY 544 Ca -0.18 -0.19 -0.05 0.00 0.00 0.00 0.00 46.02 45.61 3gvj n GLY 544 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gvj n ASP 545 N -0.25 0.14 -3.84 1.61 8.00 -1.26 -5.02 116.55 115.93 3gvj n ASP 545 Ca 0.03 0.06 -0.11 0.00 0.71 0.00 0.00 54.79 55.48 3gvj n ASP 545 Cb 0.66 1.04 -0.09 0.00 -0.02 0.00 0.00 41.12 42.71 3gvj n ASP 545 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3gvj s VAL 546 N -2.73 0.08 0.28 2.53 -7.23 -1.26 -5.11 120.40 106.96 3gvj s VAL 546 Ca -0.09 -0.69 -0.29 0.00 -1.81 0.00 0.00 61.98 59.10 3gvj s VAL 546 Cb 0.08 -0.57 -0.10 0.00 0.56 0.00 0.00 36.38 36.35 3gvj s VAL 546 CO 0.84 -0.38 1.10 0.00 -0.31 0.00 0.00 175.10 176.36 3gvj s ALA 547 N -1.63 3.41 0.21 1.32 0.00 -1.26 -3.57 121.76 120.25 3gvj s ALA 547 Ca -0.13 0.90 -0.05 0.00 0.00 0.00 0.00 51.96 52.69 3gvj s ALA 547 Cb -0.06 -3.33 -0.05 0.00 0.00 0.00 0.00 23.12 19.68 3gvj s ALA 547 CO 0.01 -0.17 0.45 -1.25 0.00 0.00 0.00 175.76 174.80 3gvj s PRO 548 N -1.42 3.63 0.46 0.00 0.04 -1.26 -5.12 135.00 131.33 3gvj s PRO 548 Ca 0.45 -0.05 -0.25 0.00 0.04 0.00 0.00 61.00 61.19 3gvj s PRO 548 Cb -0.32 -2.76 -0.08 0.00 0.04 0.00 0.00 34.50 31.38 3gvj s PRO 548 CO 0.41 0.36 1.35 0.54 0.04 0.00 0.00 177.00 179.70 3gvj n ARG 549 N -0.37 2.01 -4.45 4.56 3.00 -1.23 -4.97 116.66 115.20 3gvj n ARG 549 Ca -0.02 0.72 -0.29 0.00 -0.01 0.00 0.00 57.85 58.25 3gvj n ARG 549 Cb 0.53 -2.52 -0.13 0.00 0.00 0.00 0.00 32.46 30.33 3gvj n ARG 549 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 3gvj s GLU 550 N -2.45 1.43 -0.09 5.56 2.02 -0.54 -4.80 118.70 119.84 3gvj s GLU 550 Ca 0.63 -1.30 -0.05 0.00 0.02 0.00 0.00 54.97 54.27 3gvj s GLU 550 Cb -0.46 -1.87 0.04 0.00 0.10 0.00 0.00 34.13 31.94 3gvj s GLU 550 CO 0.56 0.45 0.21 0.08 0.02 0.00 0.00 175.26 176.58 3gvj s VAL 551 N -1.03 -0.03 0.00 2.63 1.01 -1.26 -0.68 120.40 121.03 3gvj s VAL 551 Ca 0.13 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.23 3gvj s VAL 551 Cb -0.10 -0.32 0.00 0.00 0.00 0.00 0.00 36.38 35.96 3gvj s VAL 551 CO 0.05 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.81 3gvj n GLY 552 N 3.94 0.91 3.21 4.51 0.00 -0.85 -1.86 105.19 115.05 3gvj n GLY 552 Ca -0.23 0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 3gvj n GLY 552 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3gvj s LEU 553 N 0.00 1.31 -0.21 0.99 0.05 0.08 -1.91 118.68 119.00 3gvj s LEU 553 Ca 0.00 -0.56 -0.03 0.00 0.05 0.00 0.00 54.13 53.59 3gvj s LEU 553 Cb 0.00 1.10 -0.01 0.00 -2.05 0.00 0.00 46.19 45.23 3gvj s LEU 553 CO 0.00 -0.71 -0.06 -0.36 -0.55 0.00 0.00 176.35 174.68 3gvj s PHE 554 N -3.60 2.94 -0.26 3.48 0.08 0.11 -1.28 117.98 119.45 3gvj s PHE 554 Ca 0.03 -0.89 -0.11 0.00 0.12 0.00 0.00 56.93 56.08 3gvj s PHE 554 Cb 0.03 -2.06 -0.05 0.00 -0.57 0.00 0.00 43.02 40.37 3gvj s PHE 554 CO -0.10 -0.49 0.18 -0.47 -0.10 0.00 0.00 175.22 174.25 3gvj s TYR 555 N 1.28 3.26 -0.55 0.36 5.04 -0.36 -0.74 117.35 125.64 3gvj s TYR 555 Ca 0.03 0.17 -0.12 0.00 -2.44 0.00 0.00 57.07 54.71 3gvj s TYR 555 Cb -0.14 -2.34 0.14 0.00 0.35 0.00 0.00 41.96 39.96 3gvj s TYR 555 CO -0.02 -0.07 0.45 -0.06 -1.34 0.00 0.00 175.55 174.51 3gvj s PHE 556 N 1.49 3.41 0.23 4.97 0.08 -0.23 -1.43 117.98 126.49 3gvj s PHE 556 Ca 0.07 -1.74 0.01 0.00 0.12 0.00 0.00 56.93 55.39 3gvj s PHE 556 Cb -0.15 -3.62 0.24 0.00 -0.57 0.00 0.00 43.02 38.92 3gvj s PHE 556 CO 0.08 -0.99 1.59 -1.35 -0.10 0.00 0.00 175.22 174.45 3gvj h PRO 557 N 8.44 0.45 -2.61 0.24 0.11 -1.83 -2.80 132.00 134.00 3gvj h PRO 557 Ca -0.19 -0.25 -0.59 0.00 0.11 0.00 0.00 66.00 65.08 3gvj h PRO 557 Cb 1.07 0.01 -0.39 0.00 0.11 0.00 0.00 31.00 31.80 3gvj h PRO 557 CO 0.90 0.82 -0.86 0.34 -0.21 0.00 0.00 178.00 179.00 3gvj s ASP 558 N -6.88 2.66 0.13 -2.05 -1.08 -1.26 -3.60 116.67 104.59 3gvj s ASP 558 Ca -0.06 -2.69 0.27 0.00 -0.52 0.00 0.00 52.55 49.54 3gvj s ASP 558 Cb 0.12 -0.61 0.98 0.00 -1.46 0.00 0.00 42.92 41.95 3gvj s ASP 558 CO 0.81 -0.24 1.82 0.00 0.52 0.00 0.00 175.17 178.09 3gvj n ALA 559 N 3.39 2.25 -0.02 3.66 0.00 -0.22 -1.28 120.51 128.29 3gvj n ALA 559 Ca 0.18 -0.05 -0.10 0.00 0.00 0.00 0.00 53.44 53.47 3gvj n ALA 559 Cb 0.40 -1.46 -0.09 0.00 0.00 0.00 0.00 19.45 18.31 3gvj n ALA 559 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3gvj h PHE 560 N 0.00 -0.07 0.01 0.00 -1.00 -1.94 -3.22 116.94 110.71 3gvj h PHE 560 Ca 0.00 -0.00 -0.27 0.00 2.81 0.00 0.00 57.97 60.51 3gvj h PHE 560 Cb 0.61 0.02 -0.04 0.00 3.61 0.00 0.00 35.95 40.15 3gvj h PHE 560 CO 0.00 0.52 -1.49 -0.91 -1.61 0.00 0.00 178.31 174.82 3gvj h ASN 561 N -0.91 0.02 -2.03 2.17 -0.26 -1.92 -3.41 115.58 109.24 3gvj h ASN 561 Ca -0.01 -0.03 -0.56 0.00 -0.56 0.00 0.00 56.30 55.14 3gvj h ASN 561 Cb 0.62 -0.01 -0.40 0.00 -1.06 0.00 0.00 38.32 37.48 3gvj h ASN 561 CO 0.01 1.02 -1.04 -1.20 -1.06 0.00 0.00 177.43 175.17 3gvj n SER 562 N -3.15 0.77 0.31 5.81 7.64 -0.40 -4.95 113.62 119.64 3gvj n SER 562 Ca -0.12 -2.83 0.21 0.00 1.01 0.00 0.00 58.87 57.13 3gvj n SER 562 Cb 1.02 -0.64 1.05 0.00 -1.01 0.00 0.00 64.21 64.63 3gvj n SER 562 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3gvj h PRO 563 N 3.94 0.00 -0.01 1.43 0.13 -1.68 -2.50 132.00 133.31 3gvj h PRO 563 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3gvj h PRO 563 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 3gvj h PRO 563 CO 0.52 0.00 -0.41 -1.13 -0.23 0.00 0.00 178.00 176.75 3gvj n SER 564 N -2.97 0.95 -4.55 1.44 3.41 -1.26 -4.82 113.62 105.82 3gvj n SER 564 Ca -0.02 -0.76 -0.40 0.00 -0.26 0.00 0.00 58.87 57.43 3gvj n SER 564 Cb 0.11 0.27 -0.10 0.00 -0.26 0.00 0.00 64.21 64.23 3gvj n SER 564 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3gvj s ASN 565 N -2.69 6.15 0.10 4.04 2.47 -0.94 -5.06 114.94 119.01 3gvj s ASN 565 Ca 0.18 -0.19 -0.04 0.00 0.42 0.00 0.00 52.86 53.23 3gvj s ASN 565 Cb 0.18 -2.18 -0.03 0.00 -1.45 0.00 0.00 41.25 37.78 3gvj s ASN 565 CO 0.61 -0.27 0.09 -0.72 -3.72 0.00 0.00 177.10 173.09 3gvj s TYR 566 N 1.94 0.54 -0.07 0.43 1.13 -1.26 -4.21 117.35 115.84 3gvj s TYR 566 Ca 0.10 -0.98 0.03 0.00 -1.41 0.00 0.00 57.07 54.81 3gvj s TYR 566 Cb -0.17 -0.30 0.01 0.00 -1.10 0.00 0.00 41.96 40.41 3gvj s TYR 566 CO 0.11 -0.51 -0.15 0.54 -2.51 0.00 0.00 175.55 173.03 3gvj s VAL 567 N -3.96 1.33 0.00 -3.49 0.11 -0.51 -4.92 120.40 108.96 3gvj s VAL 567 Ca 0.14 -0.59 -0.30 0.00 -2.93 0.00 0.00 61.98 58.30 3gvj s VAL 567 Cb 0.06 -1.20 -0.03 0.00 -1.53 0.00 0.00 36.38 33.68 3gvj s VAL 567 CO -0.05 0.40 1.02 -0.60 -3.33 0.00 0.00 175.10 172.54 3gvj s ARG 568 N 0.62 4.53 -0.07 1.54 3.52 -1.26 -1.23 118.95 126.60 3gvj s ARG 568 Ca -0.15 1.47 -0.01 0.00 -0.13 0.00 0.00 55.73 56.92 3gvj s ARG 568 Cb -0.16 -3.45 0.03 0.00 -1.56 0.00 0.00 34.95 29.80 3gvj s ARG 568 CO 0.04 -0.11 -0.02 1.03 -0.81 0.00 0.00 175.30 175.44 3gvj s ARG 569 N 1.12 0.73 0.10 5.12 1.81 -0.40 -5.01 118.95 122.41 3gvj s ARG 569 Ca 0.53 0.03 0.02 0.00 -1.72 0.00 0.00 55.73 54.59 3gvj s ARG 569 Cb -0.22 -0.98 -0.04 0.00 -0.45 0.00 0.00 34.95 33.26 3gvj s ARG 569 CO 0.27 -0.25 0.17 -0.65 -0.68 0.00 0.00 175.30 174.16 3gvj s GLN 570 N 1.69 3.16 0.96 3.54 -0.21 -1.26 -0.74 119.66 126.79 3gvj s GLN 570 Ca 0.01 -0.63 -0.14 0.00 0.02 0.00 0.00 55.36 54.63 3gvj s GLN 570 Cb -0.13 -2.85 0.17 0.00 1.00 0.00 0.00 33.01 31.19 3gvj s GLN 570 CO -0.04 0.56 1.16 0.96 -2.12 0.00 0.00 175.29 175.80 3gvj s ILE 571 N -1.55 1.95 0.32 1.08 -4.36 -0.78 -4.92 121.20 112.94 3gvj s ILE 571 Ca 0.32 0.00 -0.29 0.00 -0.26 0.00 0.00 60.65 60.42 3gvj s ILE 571 Cb -0.12 -2.74 -0.11 0.00 1.25 0.00 0.00 42.46 40.74 3gvj s ILE 571 CO 0.25 0.00 1.46 -2.84 0.24 0.00 0.00 174.94 174.05 3gvj s PRO 572 N -5.36 4.21 0.47 0.37 0.02 -1.26 -4.89 135.00 128.56 3gvj s PRO 572 Ca 0.66 2.43 0.22 0.00 0.02 0.00 0.00 61.00 64.33 3gvj s PRO 572 Cb -0.13 -3.04 1.24 0.00 0.02 0.00 0.00 34.50 32.59 3gvj s PRO 572 CO 0.54 -0.45 1.92 0.66 -0.33 0.00 0.00 177.00 179.33 3gvj h SER 573 N 4.01 0.21 0.50 2.53 4.64 -1.98 0.12 113.55 123.59 3gvj h SER 573 Ca -0.48 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3gvj h SER 573 Cb 1.23 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3gvj h SER 573 CO 0.71 0.10 0.00 -0.62 -0.87 0.00 0.00 176.83 176.15 3gvj n GLU 574 N -4.42 0.13 -0.05 4.77 -0.58 -1.26 -2.51 120.64 116.73 3gvj n GLU 574 Ca 0.15 0.44 0.08 0.00 -0.42 0.00 0.00 57.16 57.41 3gvj n GLU 574 Cb 0.69 -1.79 0.10 0.00 -0.57 0.00 0.00 31.44 29.86 3gvj n GLU 574 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3gvj n TYR 575 N -2.05 0.13 0.05 -0.32 4.01 0.43 -4.54 117.16 114.86 3gvj n TYR 575 Ca 0.02 -0.10 -0.09 0.00 -0.16 0.00 0.00 57.90 57.56 3gvj n TYR 575 Cb 0.17 -0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.06 3gvj n TYR 575 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 3gvj h GLU 576 N 3.06 0.06 -6.96 -0.72 5.08 -1.55 -3.44 114.58 110.11 3gvj h GLU 576 Ca 0.00 -0.10 -0.54 0.00 -1.00 0.00 0.00 59.36 57.72 3gvj h GLU 576 Cb 0.69 0.04 0.10 0.00 0.50 0.00 0.00 28.75 30.08 3gvj h GLU 576 CO 0.00 0.94 0.69 -2.14 -1.00 0.00 0.00 179.01 177.50 3gvj s PRO 577 N -2.67 3.93 -1.54 2.33 0.02 -1.26 -2.93 135.00 132.88 3gvj s PRO 577 Ca -0.02 2.36 -0.05 0.00 0.02 0.00 0.00 61.00 63.31 3gvj s PRO 577 Cb 0.09 -2.79 0.01 0.00 0.02 0.00 0.00 34.50 31.82 3gvj s PRO 577 CO 0.83 -0.60 0.66 -0.25 -0.33 0.00 0.00 177.00 177.31 3gvj n ASP 578 N 0.14 -6.17 -4.08 2.53 8.00 -1.26 -4.96 116.55 110.76 3gvj n ASP 578 Ca 0.03 -0.31 -0.13 0.00 0.71 0.00 0.00 54.79 55.09 3gvj n ASP 578 Cb 0.42 -4.96 -0.11 0.00 -0.02 0.00 0.00 41.12 36.44 3gvj n ASP 578 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gvj s ALA 579 N -3.19 0.64 0.33 2.24 0.00 -1.15 -0.98 121.76 119.65 3gvj s ALA 579 Ca 0.33 -0.81 -0.16 0.00 0.00 0.00 0.00 51.96 51.31 3gvj s ALA 579 Cb -0.14 0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.05 3gvj s ALA 579 CO 0.40 -0.02 0.71 -1.54 0.00 0.00 0.00 175.76 175.32 3gvj s SER 580 N -1.66 -0.02 -0.89 0.00 1.04 -0.28 -4.91 113.70 106.98 3gvj s SER 580 Ca -0.08 -0.96 -0.06 0.00 0.48 0.00 0.00 55.95 55.33 3gvj s SER 580 Cb -0.09 0.77 0.01 0.00 0.10 0.00 0.00 66.02 66.80 3gvj s SER 580 CO 0.00 -1.49 0.63 -0.62 0.98 0.00 0.00 173.24 172.74 3gvj n GLU 581 N -0.49 -1.33 -2.42 4.02 1.02 -1.26 -1.31 120.64 118.86 3gvj n GLU 581 Ca -0.05 0.70 -0.37 0.00 -0.02 0.00 0.00 57.16 57.41 3gvj n GLU 581 Cb 0.60 -2.60 -0.03 0.00 -0.02 0.00 0.00 31.44 29.39 3gvj n GLU 581 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3gvj s PRO 582 N -5.21 4.09 -0.19 3.49 0.04 -1.26 -3.99 135.00 131.98 3gvj s PRO 582 Ca 0.09 1.66 -0.08 0.00 0.04 0.00 0.00 61.00 62.70 3gvj s PRO 582 Cb -0.04 -2.59 -0.04 0.00 0.04 0.00 0.00 34.50 31.86 3gvj s PRO 582 CO 0.90 -0.24 0.09 0.00 0.04 0.00 0.00 177.00 177.79 3gvj s ILE 584 N 0.41 1.72 0.01 0.00 -4.36 -1.26 -1.62 121.20 116.09 3gvj s ILE 584 Ca 0.05 -1.04 -0.06 0.00 -0.26 0.00 0.00 60.65 59.34 3gvj s ILE 584 Cb -0.12 -1.45 -0.00 0.00 1.25 0.00 0.00 42.46 42.14 3gvj s ILE 584 CO -0.00 0.39 0.11 -0.54 0.24 0.00 0.00 174.94 175.13 3gvj s LYS 585 N -0.77 0.46 -0.16 0.37 3.01 -0.75 -4.11 119.74 117.78 3gvj s LYS 585 Ca 0.08 -0.45 0.01 0.00 -1.01 0.00 0.00 55.97 54.61 3gvj s LYS 585 Cb -0.09 0.19 0.02 0.00 -1.01 0.00 0.00 37.83 36.94 3gvj s LYS 585 CO 0.00 -0.10 -0.20 -0.47 0.51 0.00 0.00 175.35 175.09 3gvj s TYR 586 N -1.44 2.66 -0.04 3.18 5.04 -1.26 -0.60 117.35 124.89 3gvj s TYR 586 Ca -0.15 -1.49 -0.01 0.00 -2.44 0.00 0.00 57.07 52.98 3gvj s TYR 586 Cb -0.08 -1.84 0.03 0.00 0.35 0.00 0.00 41.96 40.42 3gvj s TYR 586 CO 0.01 -0.72 0.04 0.71 -1.34 0.00 0.00 175.55 174.24 3gvj s TYR 587 N 1.15 0.19 -1.50 4.97 1.51 -0.34 -4.90 117.35 118.43 3gvj s TYR 587 Ca 0.01 0.13 -0.11 0.00 -1.01 0.00 0.00 57.07 56.08 3gvj s TYR 587 Cb -0.14 -0.48 0.07 0.00 -0.11 0.00 0.00 41.96 41.30 3gvj s TYR 587 CO -0.09 -0.19 0.92 -0.25 -1.11 0.00 0.00 175.55 174.84 3gvj n ASP 588 N 4.90 -4.09 0.00 2.29 8.00 -1.26 -1.20 116.55 125.19 3gvj n ASP 588 Ca -0.12 -0.80 0.00 0.00 0.71 0.00 0.00 54.79 54.59 3gvj n ASP 588 Cb 0.50 -3.86 0.00 0.00 -0.02 0.00 0.00 41.12 37.74 3gvj n ASP 588 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gvj n GLY 589 N -1.68 0.66 3.28 0.44 0.00 -1.26 -5.02 105.19 101.61 3gvj n GLY 589 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 3gvj n GLY 589 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gvj s VAL 590 N -2.48 2.62 -0.29 1.61 1.01 -0.34 -4.50 120.40 118.03 3gvj s VAL 590 Ca 0.00 -0.80 -0.14 0.00 0.00 0.00 0.00 61.98 61.04 3gvj s VAL 590 Cb 0.00 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 3gvj s VAL 590 CO 0.00 0.53 0.34 -0.22 0.00 0.00 0.00 175.10 175.75 3gvj s LEU 591 N 0.62 4.16 -0.12 3.92 1.98 -0.10 -1.20 118.68 127.94 3gvj s LEU 591 Ca -0.09 0.07 -0.04 0.00 -2.89 0.00 0.00 54.13 51.18 3gvj s LEU 591 Cb -0.16 -2.35 -0.03 0.00 0.66 0.00 0.00 46.19 44.31 3gvj s LEU 591 CO 0.03 -0.21 0.03 -0.31 -1.89 0.00 0.00 176.35 173.99 3gvj s TYR 592 N 2.00 3.21 -0.05 5.38 2.02 0.23 -1.09 117.35 129.05 3gvj s TYR 592 Ca 0.13 0.14 0.00 0.00 -0.37 0.00 0.00 57.07 56.97 3gvj s TYR 592 Cb -0.16 -1.89 0.02 0.00 -0.40 0.00 0.00 41.96 39.53 3gvj s TYR 592 CO 0.11 0.36 -0.04 -1.17 -1.57 0.00 0.00 175.55 173.24 3gvj s LEU 593 N -0.45 1.16 -0.14 -1.29 0.20 0.21 -1.81 118.68 116.56 3gvj s LEU 593 Ca 0.09 -0.13 0.02 0.00 0.69 0.00 0.00 54.13 54.81 3gvj s LEU 593 Cb -0.12 -0.47 0.01 0.00 -0.43 0.00 0.00 46.19 45.18 3gvj s LEU 593 CO 0.02 -0.09 -0.22 -0.63 -0.29 0.00 0.00 176.35 175.15 3gvj s ILE 594 N 1.18 2.10 0.52 6.68 1.01 -0.64 -0.77 121.20 131.28 3gvj s ILE 594 Ca -0.07 -0.97 -0.05 0.00 0.00 0.00 0.00 60.65 59.56 3gvj s ILE 594 Cb -0.14 -1.84 -0.02 0.00 0.01 0.00 0.00 42.46 40.47 3gvj s ILE 594 CO -0.01 0.55 0.83 0.42 0.00 0.00 0.00 174.94 176.72 3gvj s THR 595 N 0.79 4.52 -0.11 2.92 -4.23 -0.49 -0.89 115.64 118.16 3gvj s THR 595 Ca -0.08 0.16 -0.15 0.00 -1.18 0.00 0.00 61.69 60.44 3gvj s THR 595 Cb -0.16 -3.74 -0.05 0.00 1.34 0.00 0.00 72.50 69.90 3gvj s THR 595 CO -0.01 -0.74 0.38 -0.60 -0.54 0.00 0.00 174.62 173.11 3gvj s ARG 596 N -4.83 4.19 0.17 3.99 3.52 -0.43 -4.23 118.95 121.34 3gvj s ARG 596 Ca 0.50 0.29 -0.15 0.00 -0.13 0.00 0.00 55.73 56.24 3gvj s ARG 596 Cb -0.10 -3.38 -0.07 0.00 -1.56 0.00 0.00 34.95 29.84 3gvj s ARG 596 CO 0.45 0.33 0.58 0.20 -0.81 0.00 0.00 175.30 176.05 3gvj s GLY 597 N 0.14 2.46 0.00 8.12 0.00 -1.25 -1.13 107.32 115.67 3gvj s GLY 597 Ca 0.22 -0.09 0.20 0.00 0.00 0.00 0.00 44.72 45.04 3gvj s GLY 597 CO 0.08 0.19 0.86 -1.30 0.00 0.00 0.00 173.10 172.93 3gvj n THR 598 N 0.68 0.00 -3.78 0.90 -2.24 -0.15 -0.85 114.28 108.83 3gvj n THR 598 Ca -0.04 -0.05 -0.13 0.00 -2.27 0.00 0.00 64.05 61.56 3gvj n THR 598 Cb 0.52 1.02 -0.13 0.00 -2.10 0.00 0.00 70.33 69.64 3gvj n THR 598 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3gvj s ARG 599 N -2.83 0.18 0.00 -0.78 0.52 -1.26 -4.79 118.95 109.98 3gvj s ARG 599 Ca 0.08 0.32 0.31 0.00 -0.52 0.00 0.00 55.73 55.92 3gvj s ARG 599 Cb 0.15 -0.01 1.63 0.00 0.52 0.00 0.00 34.95 37.24 3gvj s ARG 599 CO 0.79 -0.08 2.09 0.41 0.02 0.00 0.00 175.30 178.53 3gvj n GLY 600 N 3.49 -1.07 0.89 -3.53 0.00 -1.26 -3.42 105.19 100.29 3gvj n GLY 600 Ca -0.18 -0.20 0.07 0.00 0.00 0.00 0.00 46.02 45.72 3gvj n GLY 600 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gvj n ASP 601 N -1.06 3.46 -4.14 1.61 5.75 -1.26 -1.03 116.55 119.89 3gvj n ASP 601 Ca 0.19 -2.26 -0.09 0.00 -0.01 0.00 0.00 54.79 52.62 3gvj n ASP 601 Cb 0.20 -0.36 -0.10 0.00 -1.03 0.00 0.00 41.12 39.82 3gvj n ASP 601 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3gvj s ARG 602 N -1.46 0.76 0.17 0.11 1.81 -1.22 -5.01 118.95 114.09 3gvj s ARG 602 Ca 0.33 -1.30 -0.33 0.00 -1.72 0.00 0.00 55.73 52.71 3gvj s ARG 602 Cb 0.20 0.02 -0.16 0.00 -0.45 0.00 0.00 34.95 34.57 3gvj s ARG 602 CO 0.17 -0.09 1.19 1.28 -0.68 0.00 0.00 175.30 177.17 3gvj n LEU 603 N 0.01 1.60 0.00 2.53 4.77 -1.26 -4.66 117.00 119.99 3gvj n LEU 603 Ca -0.12 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 57.00 3gvj n LEU 603 Cb 0.61 -1.22 0.00 0.00 -2.33 0.00 0.00 43.42 40.48 3gvj n LEU 603 CO 0.29 -1.24 0.00 0.61 -1.33 0.00 0.00 177.39 175.72 3gvj n GLY 604 N 2.07 3.83 3.47 -0.72 0.00 -1.26 -4.87 105.19 107.71 3gvj n GLY 604 Ca 0.15 -1.73 -0.49 0.00 0.00 0.00 0.00 46.02 43.96 3gvj n GLY 604 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gvj n SER 605 N 0.00 -0.34 -4.14 1.61 7.64 -0.23 -4.73 113.62 113.43 3gvj n SER 605 Ca 0.00 1.14 -0.13 0.00 1.01 0.00 0.00 58.87 60.90 3gvj n SER 605 Cb 0.00 -1.04 -0.11 0.00 -1.01 0.00 0.00 64.21 62.05 3gvj n SER 605 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3gvj s SER 606 N -0.70 1.18 -0.06 6.43 1.04 -1.26 -2.25 113.70 118.08 3gvj s SER 606 Ca 0.67 -0.82 0.04 0.00 0.48 0.00 0.00 55.95 56.32 3gvj s SER 606 Cb -0.91 0.05 -0.02 0.00 0.10 0.00 0.00 66.02 65.24 3gvj s SER 606 CO 0.57 -0.32 -0.18 -0.22 0.98 0.00 0.00 173.24 174.06 3gvj s LEU 607 N -2.44 2.48 0.01 2.42 2.96 -0.20 -1.39 118.68 122.51 3gvj s LEU 607 Ca 0.04 -0.33 0.00 0.00 -0.22 0.00 0.00 54.13 53.62 3gvj s LEU 607 Cb -0.02 -1.49 -0.01 0.00 0.50 0.00 0.00 46.19 45.18 3gvj s LEU 607 CO -0.02 0.29 -0.01 -1.00 -1.32 0.00 0.00 176.35 174.30 3gvj s HIS 608 N -0.43 0.09 0.03 5.38 3.76 0.05 -0.93 115.29 123.25 3gvj s HIS 608 Ca 0.05 -0.15 0.04 0.00 -0.15 0.00 0.00 55.06 54.85 3gvj s HIS 608 Cb -0.12 -0.07 -0.02 0.00 1.11 0.00 0.00 32.58 33.49 3gvj s HIS 608 CO 0.02 -0.05 -0.12 -0.98 -0.85 0.00 0.00 174.74 172.75 3gvj s ARG 609 N -0.41 0.84 -0.00 1.40 1.70 0.08 -0.62 118.95 121.93 3gvj s ARG 609 Ca -0.04 -0.65 -0.00 0.00 -0.47 0.00 0.00 55.73 54.57 3gvj s ARG 609 Cb -0.03 -0.81 0.00 0.00 -0.57 0.00 0.00 34.95 33.54 3gvj s ARG 609 CO -0.00 0.20 0.01 0.45 -1.08 0.00 0.00 175.30 174.88 3gvj s SER 610 N -0.94 0.00 -0.20 -2.89 0.15 -0.25 -0.75 113.70 108.82 3gvj s SER 610 Ca 0.01 0.02 0.16 0.00 0.70 0.00 0.00 55.95 56.83 3gvj s SER 610 Cb -0.07 0.00 0.61 0.00 -1.71 0.00 0.00 66.02 64.86 3gvj s SER 610 CO 0.01 -0.02 1.51 0.54 1.20 0.00 0.00 173.24 176.49 3gvj n ARG 611 N 3.19 3.46 -1.57 5.44 1.74 -1.26 -0.93 116.66 126.74 3gvj n ARG 611 Ca -0.14 -2.94 0.04 0.00 -0.77 0.00 0.00 57.85 54.04 3gvj n ARG 611 Cb 0.59 -1.97 0.02 0.00 -1.02 0.00 0.00 32.46 30.09 3gvj n ARG 611 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3gvj n ASP 612 N -0.21 1.05 -3.81 0.55 5.68 -1.26 -4.98 116.55 113.56 3gvj n ASP 612 Ca 0.23 -2.03 -0.29 0.00 -0.50 0.00 0.00 54.79 52.21 3gvj n ASP 612 Cb 0.98 -0.31 0.04 0.00 -1.14 0.00 0.00 41.12 40.68 3gvj n ASP 612 CO 0.00 0.00 0.00 -0.38 -1.33 0.00 0.00 177.20 175.49 3gvj n ILE 613 N 0.41 -2.15 -0.06 2.12 5.41 -1.26 -3.28 119.36 120.55 3gvj n ILE 613 Ca 0.06 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.81 3gvj n ILE 613 Cb 1.12 -3.03 0.00 0.00 -0.71 0.00 0.00 39.64 37.02 3gvj n ILE 613 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3gvj n GLY 614 N -1.74 0.95 0.14 7.39 0.00 -1.26 -4.96 105.19 105.71 3gvj n GLY 614 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 3gvj n GLY 614 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3gvj h GLN 615 N 3.85 0.46 -5.35 1.61 4.20 -1.91 -3.40 115.11 114.58 3gvj h GLN 615 Ca 0.00 -0.79 -0.40 0.00 0.06 0.00 0.00 58.65 57.52 3gvj h GLN 615 Cb 0.00 0.29 -0.17 0.00 0.30 0.00 0.00 27.48 27.90 3gvj h GLN 615 CO 0.00 1.37 -0.75 0.95 -0.67 0.00 0.00 178.83 179.73 3gvj s THR 616 N -2.61 1.31 0.00 -0.54 -4.23 -1.26 -5.04 115.64 103.27 3gvj s THR 616 Ca -0.09 -1.79 -0.03 0.00 -1.18 0.00 0.00 61.69 58.60 3gvj s THR 616 Cb 0.05 -1.60 -0.01 0.00 1.34 0.00 0.00 72.50 72.29 3gvj s THR 616 CO 0.92 -0.48 0.04 0.26 -0.54 0.00 0.00 174.62 174.81 3gvj s TRP 617 N -2.38 0.11 -0.04 3.99 0.52 -1.26 -4.38 118.94 115.50 3gvj s TRP 617 Ca 0.11 -0.23 0.01 0.00 0.02 0.00 0.00 56.10 56.00 3gvj s TRP 617 Cb -0.03 -0.09 -0.03 0.00 -1.15 0.00 0.00 33.47 32.16 3gvj s TRP 617 CO 0.03 -0.18 -0.02 -2.00 0.02 0.00 0.00 176.95 174.81 3gvj s GLU 618 N -1.04 2.82 0.10 4.98 2.12 0.07 -4.94 118.70 122.81 3gvj s GLU 618 Ca -0.11 -0.55 0.03 0.00 0.36 0.00 0.00 54.97 54.70 3gvj s GLU 618 Cb -0.07 -2.68 -0.04 0.00 0.26 0.00 0.00 34.13 31.60 3gvj s GLU 618 CO 0.00 0.65 -0.08 -1.12 -0.54 0.00 0.00 175.26 174.17 3gvj s SER 619 N -1.22 1.33 -0.05 -1.70 0.01 -1.26 -0.74 113.70 110.06 3gvj s SER 619 Ca 0.16 -0.93 -0.22 0.00 1.31 0.00 0.00 55.95 56.27 3gvj s SER 619 Cb -0.11 0.05 0.05 0.00 0.21 0.00 0.00 66.02 66.21 3gvj s SER 619 CO 0.06 -0.37 0.50 -1.48 0.41 0.00 0.00 173.24 172.36 3gvj s LEU 620 N -2.82 0.08 -0.16 2.44 0.05 -0.11 -4.99 118.68 113.17 3gvj s LEU 620 Ca 0.10 0.48 -0.05 0.00 0.05 0.00 0.00 54.13 54.71 3gvj s LEU 620 Cb 0.02 1.89 -0.03 0.00 -2.05 0.00 0.00 46.19 46.02 3gvj s LEU 620 CO -0.02 -0.49 -0.02 -0.60 -0.55 0.00 0.00 176.35 174.67 3gvj s ARG 621 N -1.09 3.74 0.38 1.48 6.06 -1.26 -1.04 118.95 127.22 3gvj s ARG 621 Ca -0.11 -0.48 -0.26 0.00 -2.50 0.00 0.00 55.73 52.38 3gvj s ARG 621 Cb -0.03 -2.98 -0.09 0.00 0.06 0.00 0.00 34.95 31.91 3gvj s ARG 621 CO 0.06 0.25 1.21 -0.06 -2.50 0.00 0.00 175.30 174.26 3gvj s PHE 622 N 0.37 3.06 0.60 5.12 0.40 -0.95 -4.77 117.98 121.80 3gvj s PHE 622 Ca -0.03 1.52 -0.17 0.00 -0.60 0.00 0.00 56.93 57.65 3gvj s PHE 622 Cb -0.14 -3.48 -0.03 0.00 0.51 0.00 0.00 43.02 39.88 3gvj s PHE 622 CO 0.02 -1.49 1.12 -2.14 0.70 0.00 0.00 175.22 173.44 3gvj s PRO 623 N -2.12 3.09 -0.50 0.24 0.02 -1.26 -4.18 135.00 130.29 3gvj s PRO 623 Ca 0.54 1.53 -0.01 0.00 0.02 0.00 0.00 61.00 63.08 3gvj s PRO 623 Cb -0.34 -1.98 0.00 0.00 0.02 0.00 0.00 34.50 32.21 3gvj s PRO 623 CO 0.43 -1.04 0.15 0.72 -0.33 0.00 0.00 177.00 176.94 3gvj n HIS 624 N -1.80 -0.55 -3.68 6.54 8.25 -1.26 -4.21 115.22 118.50 3gvj n HIS 624 Ca 0.11 0.13 -0.28 0.00 -0.26 0.00 0.00 57.72 57.42 3gvj n HIS 624 Cb 0.51 -2.06 0.04 0.00 1.12 0.00 0.00 29.99 29.60 3gvj n HIS 624 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3gvj n ASN 625 N 0.48 -4.26 -4.71 0.41 5.03 -1.26 -3.16 115.26 107.79 3gvj n ASN 625 Ca -0.04 -0.97 -0.42 0.00 0.87 0.00 0.00 54.58 54.02 3gvj n ASN 625 Cb 0.54 -3.58 -0.03 0.00 -1.02 0.00 0.00 39.78 35.69 3gvj n ASN 625 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3gvj s VAL 626 N -3.55 2.28 0.11 2.41 1.01 -1.26 -4.59 120.40 116.81 3gvj s VAL 626 Ca 0.35 0.11 -0.16 0.00 0.00 0.00 0.00 61.98 62.29 3gvj s VAL 626 Cb -0.12 -3.07 0.03 0.00 0.00 0.00 0.00 36.38 33.22 3gvj s VAL 626 CO 0.85 0.01 0.38 -1.38 0.00 0.00 0.00 175.10 174.96 3gvj s HIS 627 N 1.58 -0.18 0.00 5.22 -0.00 -1.26 -1.07 115.29 119.58 3gvj s HIS 627 Ca 0.75 -0.11 0.00 0.00 -0.00 0.00 0.00 55.06 55.71 3gvj s HIS 627 Cb -0.48 0.23 0.00 0.00 -0.00 0.00 0.00 32.58 32.33 3gvj s HIS 627 CO 0.33 -0.67 0.00 0.72 -0.00 0.00 0.00 174.74 175.12 3gvj n HIS 628 N -0.11 0.00 -4.85 0.38 8.25 -0.03 -4.88 115.22 113.99 3gvj n HIS 628 Ca -0.16 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.00 3gvj n HIS 628 Cb 0.63 -0.42 -0.15 0.00 1.12 0.00 0.00 29.99 31.18 3gvj n HIS 628 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 3gvj s THR 629 N -2.55 2.13 0.69 1.59 -1.32 -1.26 -4.79 115.64 110.12 3gvj s THR 629 Ca 0.00 -1.42 -0.11 0.00 -1.21 0.00 0.00 61.69 58.95 3gvj s THR 629 Cb 0.00 -1.83 0.00 0.00 -1.51 0.00 0.00 72.50 69.17 3gvj s THR 629 CO 0.00 0.33 1.08 0.42 -2.21 0.00 0.00 174.62 174.24 3gvj s THR 630 N -0.83 3.82 -0.50 5.08 -4.23 -1.26 -4.40 115.64 113.33 3gvj s THR 630 Ca 0.12 0.59 0.07 0.00 -1.18 0.00 0.00 61.69 61.29 3gvj s THR 630 Cb -0.10 -3.55 0.27 0.00 1.34 0.00 0.00 72.50 70.46 3gvj s THR 630 CO 0.02 -0.77 0.67 0.18 -0.54 0.00 0.00 174.62 174.18 3gvj n LEU 631 N -2.98 2.01 -4.73 4.79 4.77 -1.26 -4.47 117.00 115.13 3gvj n LEU 631 Ca 0.07 -5.10 -0.34 0.00 -0.03 0.00 0.00 56.01 50.60 3gvj n LEU 631 Cb 0.56 0.04 0.08 0.00 -2.33 0.00 0.00 43.42 41.77 3gvj n LEU 631 CO 0.57 2.11 0.80 -2.16 -1.33 0.00 0.00 177.39 177.39 3gvj s PRO 632 N -2.01 2.30 0.19 3.23 0.04 -1.22 -4.65 135.00 132.88 3gvj s PRO 632 Ca 0.39 1.74 -0.23 0.00 0.04 0.00 0.00 61.00 62.94 3gvj s PRO 632 Cb 0.19 -1.85 0.05 0.00 0.04 0.00 0.00 34.50 32.93 3gvj s PRO 632 CO -0.07 -1.71 0.70 -0.59 0.04 0.00 0.00 177.00 175.38 3gvj s PHE 633 N -1.96 -0.35 0.08 0.56 -0.12 -1.26 -1.84 117.98 113.10 3gvj s PHE 633 Ca 0.74 0.05 -0.01 0.00 -0.05 0.00 0.00 56.93 57.66 3gvj s PHE 633 Cb -0.29 0.62 -0.04 0.00 -0.63 0.00 0.00 43.02 42.68 3gvj s PHE 633 CO 0.43 -0.97 0.00 0.00 -0.05 0.00 0.00 175.22 174.64 3gvj s ALA 634 N -3.71 0.66 -0.22 1.99 0.00 -0.98 -4.80 121.76 114.70 3gvj s ALA 634 Ca 0.06 -1.31 -0.06 0.00 0.00 0.00 0.00 51.96 50.64 3gvj s ALA 634 Cb -0.03 0.49 -0.03 0.00 0.00 0.00 0.00 23.12 23.55 3gvj s ALA 634 CO -0.04 -0.41 0.04 0.21 0.00 0.00 0.00 175.76 175.56 3gvj s LYS 635 N -3.96 3.67 -0.20 0.00 2.20 -1.26 -1.18 119.74 119.00 3gvj s LYS 635 Ca 0.14 -0.48 -0.00 0.00 -0.36 0.00 0.00 55.97 55.26 3gvj s LYS 635 Cb 0.08 -3.20 0.05 0.00 -1.51 0.00 0.00 37.83 33.25 3gvj s LYS 635 CO -0.05 -0.05 -0.05 0.08 -0.36 0.00 0.00 175.35 174.92 3gvj s VAL 636 N 1.21 1.29 0.00 4.02 1.01 -0.13 -4.99 120.40 122.81 3gvj s VAL 636 Ca 0.04 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.09 3gvj s VAL 636 Cb -0.14 -1.53 0.00 0.00 0.00 0.00 0.00 36.38 34.70 3gvj s VAL 636 CO 0.02 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.73 3gvj n GLY 637 N 4.78 3.68 0.46 4.51 0.00 -1.26 -2.14 105.19 115.22 3gvj n GLY 637 Ca -0.12 -0.07 0.12 0.00 0.00 0.00 0.00 46.02 45.95 3gvj n GLY 637 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gvj n ASP 638 N 5.33 1.42 -4.59 1.61 8.00 -1.26 -4.90 116.55 122.16 3gvj n ASP 638 Ca 0.00 -1.56 -0.34 0.00 0.71 0.00 0.00 54.79 53.60 3gvj n ASP 638 Cb 0.00 -0.05 -0.11 0.00 -0.02 0.00 0.00 41.12 40.94 3gvj n ASP 638 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3gvj s ASP 639 N -1.78 4.76 0.04 -2.24 1.01 -0.91 -1.12 116.67 116.44 3gvj s ASP 639 Ca 0.35 -0.00 -0.27 0.00 0.71 0.00 0.00 52.55 53.34 3gvj s ASP 639 Cb 0.19 -1.29 -0.05 0.00 1.01 0.00 0.00 42.92 42.78 3gvj s ASP 639 CO 0.30 0.34 0.85 -0.76 0.21 0.00 0.00 175.17 176.11 3gvj s LEU 640 N -0.69 4.43 -0.25 1.23 1.43 -0.32 -0.95 118.68 123.56 3gvj s LEU 640 Ca 0.11 1.56 -0.00 0.00 -1.03 0.00 0.00 54.13 54.76 3gvj s LEU 640 Cb -0.11 -3.38 0.04 0.00 0.03 0.00 0.00 46.19 42.77 3gvj s LEU 640 CO 0.02 -0.07 -0.08 -0.63 0.23 0.00 0.00 176.35 175.82 3gvj s ILE 641 N 0.24 2.65 0.15 -0.59 1.01 -0.33 -1.34 121.20 122.99 3gvj s ILE 641 Ca 0.43 -1.21 0.10 0.00 0.00 0.00 0.00 60.65 59.98 3gvj s ILE 641 Cb -0.21 -2.39 -0.04 0.00 0.01 0.00 0.00 42.46 39.82 3gvj s ILE 641 CO 0.25 0.14 -0.21 0.00 0.00 0.00 0.00 174.94 175.12 3gvj s MET 642 N 1.26 1.65 0.03 2.79 0.23 -0.35 -2.31 119.30 122.60 3gvj s MET 642 Ca -0.02 -1.33 0.05 0.00 -1.03 0.00 0.00 55.69 53.36 3gvj s MET 642 Cb -0.17 -1.99 -0.02 0.00 -1.53 0.00 0.00 34.83 31.11 3gvj s MET 642 CO -0.05 0.44 -0.15 -0.06 -2.03 0.00 0.00 175.02 173.17 3gvj s PHE 643 N -1.35 1.35 0.18 3.16 0.40 -0.76 -1.44 117.98 119.52 3gvj s PHE 643 Ca 0.19 -0.33 -0.13 0.00 -0.60 0.00 0.00 56.93 56.07 3gvj s PHE 643 Cb -0.09 -0.82 0.01 0.00 0.51 0.00 0.00 43.02 42.62 3gvj s PHE 643 CO 0.10 0.03 0.39 0.20 0.70 0.00 0.00 175.22 176.63 3gvj s GLY 644 N -0.93 0.25 -0.08 4.36 0.00 -0.74 -3.43 107.32 106.75 3gvj s GLY 644 Ca 0.04 -0.62 -0.04 0.00 0.00 0.00 0.00 44.72 44.10 3gvj s GLY 644 CO 0.01 -0.60 0.19 -0.56 0.00 0.00 0.00 173.10 172.14 3gvj s SER 645 N -2.93 -0.18 0.55 1.64 0.01 -1.26 -1.02 113.70 110.51 3gvj s SER 645 Ca 0.14 0.40 -0.19 0.00 1.31 0.00 0.00 55.95 57.60 3gvj s SER 645 Cb 0.01 0.29 -0.05 0.00 0.21 0.00 0.00 66.02 66.48 3gvj s SER 645 CO -0.01 -0.15 1.15 -1.83 0.41 0.00 0.00 173.24 172.81 3gvj s GLU 646 N 1.14 3.30 0.22 12.44 -1.05 -0.95 -4.55 118.70 129.24 3gvj s GLU 646 Ca -0.09 1.66 0.12 0.00 -0.15 0.00 0.00 54.97 56.52 3gvj s GLU 646 Cb -0.10 -2.01 -0.03 0.00 -0.44 0.00 0.00 34.13 31.55 3gvj s GLU 646 CO -0.07 -0.91 1.38 0.00 0.95 0.00 0.00 175.26 176.62 3gvj h ALA 647 N 1.17 0.56 -2.56 -0.84 0.00 -1.87 -3.43 119.26 112.31 3gvj h ALA 647 Ca -0.50 -0.61 -0.09 0.00 0.00 0.00 0.00 54.91 53.71 3gvj h ALA 647 Cb 1.27 -0.10 -0.15 0.00 0.00 0.00 0.00 17.79 18.81 3gvj h ALA 647 CO 0.57 0.84 -0.32 0.00 0.00 0.00 0.00 179.25 180.34 3gvj s ALA 648 N -2.87 -0.40 0.32 0.00 0.00 -1.26 -4.61 121.76 112.93 3gvj s ALA 648 Ca 0.03 -0.40 -0.29 0.00 0.00 0.00 0.00 51.96 51.30 3gvj s ALA 648 Cb 0.08 0.45 -0.12 0.00 0.00 0.00 0.00 23.12 23.53 3gvj s ALA 648 CO 0.77 -0.48 1.48 -1.91 0.00 0.00 0.00 175.76 175.62 3gvj n GLU 649 N 0.15 2.49 -2.26 0.00 2.13 -1.26 -3.36 120.64 118.53 3gvj n GLU 649 Ca -0.16 0.88 -0.15 0.00 0.66 0.00 0.00 57.16 58.39 3gvj n GLU 649 Cb 0.61 -2.59 -0.01 0.00 0.27 0.00 0.00 31.44 29.73 3gvj n GLU 649 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3gvj n ASN 650 N 1.41 -4.46 -0.00 4.31 5.03 -1.26 -4.81 115.26 115.48 3gvj n ASN 650 Ca 0.06 -0.01 0.10 0.00 0.87 0.00 0.00 54.58 55.61 3gvj n ASN 650 Cb 0.36 -3.61 -0.13 0.00 -1.02 0.00 0.00 39.78 35.39 3gvj n ASN 650 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3gvj n GLU 651 N -2.41 0.22 -0.19 3.52 1.02 -1.21 -4.69 120.64 116.90 3gvj n GLU 651 Ca -0.17 -0.04 -0.06 0.00 -0.02 0.00 0.00 57.16 56.87 3gvj n GLU 651 Cb 0.63 -1.49 0.04 0.00 -0.02 0.00 0.00 31.44 30.60 3gvj n GLU 651 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 3gvj h TRP 652 N 0.00 0.67 -4.18 -0.32 2.91 -1.91 -3.44 115.95 109.68 3gvj h TRP 652 Ca 0.00 0.02 -0.51 0.00 1.13 0.00 0.00 58.89 59.53 3gvj h TRP 652 Cb 0.60 -0.22 0.10 0.00 -0.51 0.00 0.00 29.16 29.12 3gvj h TRP 652 CO 0.00 0.41 0.38 -1.21 -1.03 0.00 0.00 178.44 176.99 3gvj s GLU 653 N -6.14 2.91 0.28 2.65 8.01 -1.26 -4.62 118.70 120.53 3gvj s GLU 653 Ca -0.13 1.43 -0.30 0.00 0.01 0.00 0.00 54.97 55.98 3gvj s GLU 653 Cb 0.13 -1.96 -0.11 0.00 -4.31 0.00 0.00 34.13 27.88 3gvj s GLU 653 CO 0.75 -1.17 1.59 0.00 0.01 0.00 0.00 175.26 176.44 3gvj s ALA 654 N -2.24 3.75 0.00 5.21 0.00 -1.19 -1.94 121.76 125.36 3gvj s ALA 654 Ca 0.68 1.55 0.00 0.00 0.00 0.00 0.00 51.96 54.19 3gvj s ALA 654 Cb -0.21 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.27 3gvj s ALA 654 CO 0.39 -0.96 0.00 0.41 0.00 0.00 0.00 175.76 175.60 3gvj n GLY 655 N 2.32 1.45 3.68 0.00 0.00 -0.19 -5.00 105.19 107.45 3gvj n GLY 655 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3gvj n GLY 655 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gvj s ALA 656 N -3.71 3.53 0.57 4.61 0.00 -0.82 -4.99 121.76 120.96 3gvj s ALA 656 Ca 0.00 0.64 -0.17 0.00 0.00 0.00 0.00 51.96 52.43 3gvj s ALA 656 Cb 0.00 -3.54 -0.05 0.00 0.00 0.00 0.00 23.12 19.53 3gvj s ALA 656 CO 0.00 -0.83 1.07 -1.25 0.00 0.00 0.00 175.76 174.75 3gvj s PRO 657 N 2.39 3.37 0.37 0.00 0.04 -1.26 -4.85 135.00 135.06 3gvj s PRO 657 Ca 0.57 1.32 -0.28 0.00 0.04 0.00 0.00 61.00 62.65 3gvj s PRO 657 Cb -0.25 -2.03 -0.11 0.00 0.04 0.00 0.00 34.50 32.14 3gvj s PRO 657 CO 0.22 -0.78 1.48 -0.25 0.04 0.00 0.00 177.00 177.70 3gvj n ASP 658 N -1.73 3.70 -3.59 6.66 8.00 -1.26 -4.71 116.55 123.63 3gvj n ASP 658 Ca 0.09 1.22 -0.28 0.00 0.71 0.00 0.00 54.79 56.54 3gvj n ASP 658 Cb 0.52 -1.61 -0.11 0.00 -0.02 0.00 0.00 41.12 39.90 3gvj n ASP 658 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3gvj s ASP 659 N -0.11 2.89 0.49 -2.24 -1.08 -1.26 -5.11 116.67 110.25 3gvj s ASP 659 Ca 0.54 -2.99 0.06 0.00 -0.52 0.00 0.00 52.55 49.64 3gvj s ASP 659 Cb -0.49 -0.82 -0.00 0.00 -1.46 0.00 0.00 42.92 40.15 3gvj s ASP 659 CO 0.63 -0.20 0.28 -0.13 0.52 0.00 0.00 175.17 176.28 3gvj s ARG 660 N -0.03 2.27 -1.06 4.34 1.81 -1.26 -4.71 118.95 120.31 3gvj s ARG 660 Ca 0.25 -1.96 0.00 0.00 -1.72 0.00 0.00 55.73 52.30 3gvj s ARG 660 Cb -0.09 -2.03 0.00 0.00 -0.45 0.00 0.00 34.95 32.39 3gvj s ARG 660 CO -0.11 -0.39 0.00 0.66 -0.68 0.00 0.00 175.30 174.78 3gvj n TYR 661 N -1.52 -0.23 -3.67 -0.53 4.02 -1.25 -4.98 117.16 108.99 3gvj n TYR 661 Ca -0.03 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.71 3gvj n TYR 661 Cb 0.64 -2.29 -0.08 0.00 -0.02 0.00 0.00 39.34 37.60 3gvj n TYR 661 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 176.86 174.26 3gvj s LYS 662 N -3.65 0.75 0.39 -0.72 -2.85 -1.24 -4.88 119.74 107.54 3gvj s LYS 662 Ca 0.00 0.35 -0.26 0.00 -1.00 0.00 0.00 55.97 55.06 3gvj s LYS 662 Cb 0.00 0.35 -0.09 0.00 -2.06 0.00 0.00 37.83 36.04 3gvj s LYS 662 CO 0.00 -0.17 1.20 0.00 0.10 0.00 0.00 175.35 176.48 3gvj s ALA 663 N -0.56 3.22 0.35 0.59 0.00 -1.24 -4.37 121.76 119.74 3gvj s ALA 663 Ca -0.07 1.04 -0.14 0.00 0.00 0.00 0.00 51.96 52.79 3gvj s ALA 663 Cb -0.03 -3.41 0.03 0.00 0.00 0.00 0.00 23.12 19.72 3gvj s ALA 663 CO 0.04 -0.58 0.69 -1.54 0.00 0.00 0.00 175.76 174.38 3gvj s SER 664 N -0.99 0.11 -0.73 0.00 1.04 -0.67 -4.99 113.70 107.47 3gvj s SER 664 Ca 0.56 -1.09 0.04 0.00 0.48 0.00 0.00 55.95 55.94 3gvj s SER 664 Cb -0.33 0.77 0.19 0.00 0.10 0.00 0.00 66.02 66.75 3gvj s SER 664 CO 0.42 -1.51 0.57 -1.22 0.98 0.00 0.00 173.24 172.48 3gvj n TYR 665 N -0.51 3.44 -1.99 5.02 4.01 -1.26 -1.18 117.16 124.68 3gvj n TYR 665 Ca -0.05 -4.27 -0.41 0.00 -0.16 0.00 0.00 57.90 53.01 3gvj n TYR 665 Cb 0.60 -0.70 -0.01 0.00 -0.31 0.00 0.00 39.34 38.92 3gvj n TYR 665 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 3gvj s PRO 666 N -1.57 4.26 0.06 -0.72 0.04 -1.08 -4.57 135.00 131.42 3gvj s PRO 666 Ca 0.27 2.35 -0.28 0.00 0.04 0.00 0.00 61.00 63.38 3gvj s PRO 666 Cb -0.03 -3.04 -0.05 0.00 0.04 0.00 0.00 34.50 31.43 3gvj s PRO 666 CO -0.15 -0.33 0.90 1.03 0.04 0.00 0.00 177.00 178.49 3gvj s ARG 667 N -1.81 4.60 -0.14 4.56 0.52 -1.26 -0.75 118.95 124.66 3gvj s ARG 667 Ca 0.51 1.31 -0.05 0.00 -0.52 0.00 0.00 55.73 56.98 3gvj s ARG 667 Cb -0.42 -3.40 -0.03 0.00 0.52 0.00 0.00 34.95 31.61 3gvj s ARG 667 CO 0.56 0.16 0.02 0.99 0.02 0.00 0.00 175.30 177.06 3gvj s THR 668 N 0.27 4.47 0.20 0.02 2.01 -0.42 -2.24 115.64 119.95 3gvj s THR 668 Ca 0.45 -0.16 0.10 0.00 0.31 0.00 0.00 61.69 62.39 3gvj s THR 668 Cb -0.22 -2.95 -0.04 0.00 0.01 0.00 0.00 72.50 69.30 3gvj s THR 668 CO 0.27 0.53 -0.21 -0.36 -0.69 0.00 0.00 174.62 174.16 3gvj s PHE 669 N -0.19 2.12 0.15 4.92 0.08 -0.19 -2.04 117.98 122.82 3gvj s PHE 669 Ca 0.06 -0.40 0.06 0.00 0.12 0.00 0.00 56.93 56.77 3gvj s PHE 669 Cb -0.12 -1.03 -0.04 0.00 -0.57 0.00 0.00 43.02 41.26 3gvj s PHE 669 CO 0.02 0.47 -0.14 1.52 -0.10 0.00 0.00 175.22 176.99 3gvj s TYR 670 N -1.95 1.47 0.03 0.36 1.13 -0.57 -1.79 117.35 116.03 3gvj s TYR 670 Ca 0.20 -0.59 -0.04 0.00 -1.41 0.00 0.00 57.07 55.24 3gvj s TYR 670 Cb -0.07 -0.74 -0.01 0.00 -1.10 0.00 0.00 41.96 40.04 3gvj s TYR 670 CO 0.09 0.19 0.06 0.00 -2.51 0.00 0.00 175.55 173.38 3gvj s ALA 671 N -2.49 -0.00 -0.12 9.51 0.00 -0.52 -1.04 121.76 127.10 3gvj s ALA 671 Ca 0.13 -0.56 -0.02 0.00 0.00 0.00 0.00 51.96 51.51 3gvj s ALA 671 Cb -0.03 0.21 -0.03 0.00 0.00 0.00 0.00 23.12 23.27 3gvj s ALA 671 CO 0.04 -0.27 -0.02 1.03 0.00 0.00 0.00 175.76 176.53 3gvj s ARG 672 N -2.28 3.27 -0.11 0.00 0.52 -1.26 -1.21 118.95 117.88 3gvj s ARG 672 Ca -0.08 -0.48 -0.00 0.00 -0.52 0.00 0.00 55.73 54.65 3gvj s ARG 672 Cb -0.03 -2.83 0.02 0.00 0.52 0.00 0.00 34.95 32.63 3gvj s ARG 672 CO -0.03 0.49 -0.07 -1.17 0.02 0.00 0.00 175.30 174.53 3gvj s LEU 673 N -0.30 1.13 -0.25 2.53 0.20 -0.45 -4.75 118.68 116.79 3gvj s LEU 673 Ca 0.05 -0.28 -0.29 0.00 0.69 0.00 0.00 54.13 54.31 3gvj s LEU 673 Cb -0.12 -0.80 -0.00 0.00 -0.43 0.00 0.00 46.19 44.84 3gvj s LEU 673 CO 0.02 -0.12 1.23 0.21 -0.29 0.00 0.00 176.35 177.40 3gvj s ASN 674 N 1.72 6.85 0.48 3.68 3.84 -1.26 -1.17 114.94 129.08 3gvj s ASN 674 Ca 0.05 1.38 0.24 0.00 0.21 0.00 0.00 52.86 54.73 3gvj s ASN 674 Cb -0.13 -2.54 1.24 0.00 -0.55 0.00 0.00 41.25 39.27 3gvj s ASN 674 CO -0.08 -0.89 1.99 -0.37 -2.79 0.00 0.00 177.10 174.96 3gvj h VAL 675 N 5.71 0.68 -0.18 -5.21 -1.51 -1.49 -2.38 116.25 111.86 3gvj h VAL 675 Ca -0.25 -0.75 -0.14 0.00 -1.23 0.00 0.00 66.70 64.33 3gvj h VAL 675 Cb 1.09 1.47 0.00 0.00 -2.13 0.00 0.00 31.29 31.72 3gvj h VAL 675 CO 1.01 0.17 -0.44 0.78 -1.23 0.00 0.00 177.57 177.86 3gvj h ASN 676 N 0.00 0.70 0.38 4.19 -0.26 -1.92 -3.23 115.58 115.43 3gvj h ASN 676 Ca -0.00 -0.57 -0.10 0.00 -0.56 0.00 0.00 56.30 55.07 3gvj h ASN 676 Cb 0.46 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.50 3gvj h ASN 676 CO 0.02 1.14 -0.44 0.78 -1.06 0.00 0.00 177.43 177.87 3gvj h ASN 677 N 0.28 0.09 -6.72 5.81 2.35 -1.90 -3.47 115.58 112.02 3gvj h ASN 677 Ca -0.00 -0.04 -0.55 0.00 -0.55 0.00 0.00 56.30 55.16 3gvj h ASN 677 Cb 1.05 -0.02 -0.10 0.00 0.05 0.00 0.00 38.32 39.29 3gvj h ASN 677 CO 0.10 0.52 -0.93 1.87 -1.65 0.00 0.00 177.43 177.34 3gvj n TRP 678 N -4.01 -1.51 -3.68 1.19 -0.00 -0.91 -4.96 117.44 103.56 3gvj n TRP 678 Ca -0.02 0.63 -0.13 0.00 -0.00 0.00 0.00 57.50 57.99 3gvj n TRP 678 Cb 0.48 -3.33 -0.13 0.00 -0.00 0.00 0.00 31.31 28.33 3gvj n TRP 678 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 3gvj s ASN 679 N -4.27 0.18 0.00 5.87 3.04 -1.26 -5.02 114.94 113.48 3gvj s ASN 679 Ca 0.06 0.59 0.22 0.00 0.04 0.00 0.00 52.86 53.77 3gvj s ASN 679 Cb -0.03 0.64 0.51 0.00 -1.54 0.00 0.00 41.25 40.83 3gvj s ASN 679 CO 0.93 -0.22 1.44 0.00 -3.04 0.00 0.00 177.10 176.21 3gvj n ALA 680 N 5.07 2.38 -0.16 1.71 0.00 -1.26 -4.50 120.51 123.75 3gvj n ALA 680 Ca -0.11 -1.14 0.04 0.00 0.00 0.00 0.00 53.44 52.23 3gvj n ALA 680 Cb 0.51 -0.86 0.33 0.00 0.00 0.00 0.00 19.45 19.43 3gvj n ALA 680 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3gvj h ASP 681 N 4.20 0.69 -0.53 0.00 3.32 -1.95 -2.20 116.42 119.94 3gvj h ASP 681 Ca 0.00 -0.01 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 3gvj h ASP 681 Cb 0.96 -0.16 -0.08 0.00 0.22 0.00 0.00 39.33 40.27 3gvj h ASP 681 CO 0.00 0.48 0.12 0.47 -1.72 0.00 0.00 179.24 178.59 3gvj n ASP 682 N -4.46 4.23 -4.71 6.45 8.00 -1.26 -4.91 116.55 119.89 3gvj n ASP 682 Ca 0.08 -3.24 -0.43 0.00 0.71 0.00 0.00 54.79 51.92 3gvj n ASP 682 Cb 0.13 -0.67 -0.01 0.00 -0.02 0.00 0.00 41.12 40.55 3gvj n ASP 682 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gvj n ILE 683 N -0.38 1.59 -3.79 0.53 3.06 -0.83 -4.97 119.36 114.56 3gvj n ILE 683 Ca 0.33 -0.40 -0.36 0.00 -2.50 0.00 0.00 62.75 59.83 3gvj n ILE 683 Cb 1.18 -1.67 -0.12 0.00 0.54 0.00 0.00 39.64 39.57 3gvj n ILE 683 CO 0.00 0.00 0.00 -1.61 -2.50 0.00 0.00 176.55 172.44 3gvj s GLU 684 N -1.33 2.07 -0.25 9.51 2.02 -1.26 -5.07 118.70 124.38 3gvj s GLU 684 Ca 0.60 -1.74 -0.29 0.00 0.02 0.00 0.00 54.97 53.56 3gvj s GLU 684 Cb -0.56 -3.54 0.01 0.00 0.10 0.00 0.00 34.13 30.14 3gvj s GLU 684 CO 0.57 -1.01 1.03 -1.58 0.02 0.00 0.00 175.26 174.30 3gvj s TRP 685 N 1.16 3.30 -0.28 1.61 0.52 -1.26 -4.45 118.94 119.54 3gvj s TRP 685 Ca 0.06 1.38 -0.05 0.00 0.02 0.00 0.00 56.10 57.52 3gvj s TRP 685 Cb -0.22 -3.35 0.02 0.00 -1.15 0.00 0.00 33.47 28.77 3gvj s TRP 685 CO -0.04 -0.54 0.03 0.08 0.02 0.00 0.00 176.95 176.50 3gvj s VAL 686 N 3.28 3.51 -0.28 4.03 1.01 -0.21 -1.60 120.40 130.13 3gvj s VAL 686 Ca 0.44 -0.90 -0.29 0.00 0.00 0.00 0.00 61.98 61.23 3gvj s VAL 686 Cb -0.14 -2.83 -0.01 0.00 0.00 0.00 0.00 36.38 33.39 3gvj s VAL 686 CO 0.08 0.08 1.46 0.21 0.00 0.00 0.00 175.10 176.93 3gvj s ASN 687 N 1.41 6.49 -0.01 3.32 2.47 0.11 -1.52 114.94 127.22 3gvj s ASN 687 Ca 0.01 1.34 0.11 0.00 0.42 0.00 0.00 52.86 54.73 3gvj s ASN 687 Cb -0.17 -2.54 -0.15 0.00 -1.45 0.00 0.00 41.25 36.94 3gvj s ASN 687 CO -0.00 -1.21 0.36 2.30 -3.72 0.00 0.00 177.10 174.83 3gvj n ILE 688 N 6.42 0.00 -3.56 -5.21 -5.35 -0.86 -1.97 119.36 108.84 3gvj n ILE 688 Ca 0.17 -0.25 -0.13 0.00 -0.27 0.00 0.00 62.75 62.27 3gvj n ILE 688 Cb 0.46 0.63 -0.05 0.00 -1.74 0.00 0.00 39.64 38.94 3gvj n ILE 688 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 3gvj s THR 689 N -2.40 0.00 0.02 7.28 -1.32 -1.24 -4.99 115.64 112.99 3gvj s THR 689 Ca 0.00 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.56 3gvj s THR 689 Cb 0.08 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 70.04 3gvj s THR 689 CO 0.46 0.00 -0.23 -1.81 -2.21 0.00 0.00 174.62 170.82 3gvj s ASP 690 N -1.20 3.35 0.55 8.08 1.11 -1.26 -1.30 116.67 126.00 3gvj s ASP 690 Ca -0.04 -0.49 0.04 0.00 0.18 0.00 0.00 52.55 52.24 3gvj s ASP 690 Cb -0.00 -0.42 0.04 0.00 1.07 0.00 0.00 42.92 43.60 3gvj s ASP 690 CO 0.04 0.28 0.34 -1.10 1.18 0.00 0.00 175.17 175.90 3gvj s GLN 691 N -1.08 2.24 -0.11 8.23 1.11 0.07 -4.97 119.66 125.15 3gvj s GLN 691 Ca 0.12 -2.12 0.00 0.00 0.01 0.00 0.00 55.36 53.37 3gvj s GLN 691 Cb -0.10 -1.98 -0.02 0.00 -1.01 0.00 0.00 33.01 29.89 3gvj s GLN 691 CO 0.02 -0.61 -0.11 0.42 0.01 0.00 0.00 175.29 175.02 3gvj s ILE 692 N -2.81 3.26 -0.23 1.08 1.01 -1.26 -2.64 121.20 119.61 3gvj s ILE 692 Ca 0.27 -0.61 -0.06 0.00 0.00 0.00 0.00 60.65 60.26 3gvj s ILE 692 Cb -0.02 -2.35 -0.02 0.00 0.01 0.00 0.00 42.46 40.08 3gvj s ILE 692 CO 0.17 0.55 0.01 -0.47 0.00 0.00 0.00 174.94 175.20 3gvj s TYR 693 N -0.06 3.02 0.14 3.97 6.14 -0.32 -1.69 117.35 128.54 3gvj s TYR 693 Ca -0.02 -0.66 -0.13 0.00 0.64 0.00 0.00 57.07 56.90 3gvj s TYR 693 Cb -0.14 -2.17 -0.01 0.00 0.42 0.00 0.00 41.96 40.07 3gvj s TYR 693 CO 0.03 -0.44 1.57 0.37 0.64 0.00 0.00 175.55 177.72 3gvj h GLN 694 N 8.13 0.82 0.00 4.97 -0.00 -1.85 -1.79 115.11 125.38 3gvj h GLN 694 Ca -0.40 -0.29 0.00 0.00 -0.00 0.00 0.00 58.65 57.97 3gvj h GLN 694 Cb 1.17 -0.06 0.00 0.00 0.00 0.00 0.00 27.48 28.59 3gvj h GLN 694 CO 0.59 0.90 0.00 0.41 0.00 0.00 0.00 178.83 180.74 3gvj n GLY 695 N -0.29 0.81 0.24 2.39 0.00 -1.26 -3.67 105.19 103.42 3gvj n GLY 695 Ca -0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 3gvj n GLY 695 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3gvj h GLY 696 N 0.00 0.00 -2.64 -0.02 0.00 -1.91 -3.28 103.07 95.22 3gvj h GLY 696 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.02 3gvj h GLY 696 CO 0.00 0.00 -0.66 -0.26 0.00 0.00 0.00 176.54 175.62 3gvj s ILE 697 N -3.51 0.80 0.33 2.60 -4.36 -1.26 -4.67 121.20 111.13 3gvj s ILE 697 Ca 0.03 -2.00 0.08 0.00 -0.26 0.00 0.00 60.65 58.49 3gvj s ILE 697 Cb 0.08 -2.16 0.08 0.00 1.25 0.00 0.00 42.46 41.71 3gvj s ILE 697 CO 0.61 -0.45 1.78 1.62 0.24 0.00 0.00 174.94 178.74 3gvj h VAL 698 N 2.64 1.26 -4.08 8.37 3.04 -1.97 -3.40 116.25 122.11 3gvj h VAL 698 Ca -0.37 -1.24 -0.45 0.00 -1.01 0.00 0.00 66.70 63.63 3gvj h VAL 698 Cb 1.21 1.50 -0.01 0.00 -2.01 0.00 0.00 31.29 31.98 3gvj h VAL 698 CO 0.63 0.38 0.35 0.20 -1.01 0.00 0.00 177.57 178.12 3gvj s ASN 699 N -6.87 6.79 -0.04 3.17 -0.87 -1.26 -4.80 114.94 111.06 3gvj s ASN 699 Ca -0.05 1.72 0.05 0.00 -1.57 0.00 0.00 52.86 53.01 3gvj s ASN 699 Cb 0.14 -2.54 -0.01 0.00 -0.02 0.00 0.00 41.25 38.82 3gvj s ASN 699 CO 0.76 -0.46 -0.21 -0.55 -2.57 0.00 0.00 177.10 174.07 3gvj s SER 700 N -2.25 2.55 0.00 -1.22 0.15 -1.26 -4.89 113.70 106.78 3gvj s SER 700 Ca 0.63 -0.42 0.22 0.00 0.70 0.00 0.00 55.95 57.08 3gvj s SER 700 Cb -0.10 -0.64 0.94 0.00 -1.71 0.00 0.00 66.02 64.50 3gvj s SER 700 CO 0.16 0.20 1.65 0.61 1.20 0.00 0.00 173.24 177.07 3gvj n GLY 701 N 2.99 -0.11 3.72 9.45 0.00 -1.26 -4.96 105.19 115.01 3gvj n GLY 701 Ca -0.17 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 3gvj n GLY 701 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gvj s VAL 702 N -1.88 3.42 0.00 1.61 1.01 -1.26 -3.99 120.40 119.31 3gvj s VAL 702 Ca 0.33 1.03 0.00 0.00 0.00 0.00 0.00 61.98 63.35 3gvj s VAL 702 Cb 0.17 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.89 3gvj s VAL 702 CO 0.27 0.09 0.00 0.61 0.00 0.00 0.00 175.10 176.07 3gvj n GLY 703 N 3.33 0.87 3.43 4.51 0.00 -0.46 -4.64 105.19 112.22 3gvj n GLY 703 Ca 0.10 -0.81 -0.18 0.00 0.00 0.00 0.00 46.02 45.13 3gvj n GLY 703 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3gvj n VAL 704 N 0.00 -2.05 -2.63 1.61 0.24 -1.26 -1.51 118.33 112.73 3gvj n VAL 704 Ca 0.00 -0.05 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 3gvj n VAL 704 Cb 0.00 -1.82 0.00 0.00 -1.47 0.00 0.00 33.84 30.55 3gvj n VAL 704 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gvj n GLY 705 N -1.30 6.78 3.43 7.63 0.00 -1.26 -1.72 105.19 118.75 3gvj n GLY 705 Ca -0.20 -1.93 -0.16 0.00 0.00 0.00 0.00 46.02 43.73 3gvj n GLY 705 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gvj s SER 706 N 1.00 -0.51 -0.04 1.61 0.15 -0.36 -3.18 113.70 112.38 3gvj s SER 706 Ca 0.00 0.48 0.03 0.00 0.70 0.00 0.00 55.95 57.16 3gvj s SER 706 Cb 0.00 0.47 0.01 0.00 -1.71 0.00 0.00 66.02 64.79 3gvj s SER 706 CO 0.00 -0.59 -0.11 -0.69 1.20 0.00 0.00 173.24 173.05 3gvj s VAL 707 N -1.41 1.02 0.12 4.45 1.01 -1.26 -1.25 120.40 123.08 3gvj s VAL 707 Ca -0.11 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 61.45 3gvj s VAL 707 Cb -0.01 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 3gvj s VAL 707 CO 0.07 0.31 -0.10 0.68 0.00 0.00 0.00 175.10 176.06 3gvj s VAL 708 N 0.35 1.08 -0.14 2.92 -7.23 -0.84 -4.81 120.40 111.73 3gvj s VAL 708 Ca -0.07 -1.88 -0.02 0.00 -1.81 0.00 0.00 61.98 58.20 3gvj s VAL 708 Cb -0.12 -1.64 -0.02 0.00 0.56 0.00 0.00 36.38 35.16 3gvj s VAL 708 CO 0.02 -0.66 -0.08 -0.69 -0.31 0.00 0.00 175.10 173.38 3gvj s VAL 709 N -2.93 3.52 -0.11 1.32 1.01 -1.26 -0.39 120.40 121.55 3gvj s VAL 709 Ca 0.12 -0.50 -0.01 0.00 0.00 0.00 0.00 61.98 61.59 3gvj s VAL 709 Cb 0.00 -2.51 0.03 0.00 0.00 0.00 0.00 36.38 33.90 3gvj s VAL 709 CO 0.00 0.52 -0.07 -0.75 0.00 0.00 0.00 175.10 174.80 3gvj s LYS 710 N 0.25 1.41 5.44 2.72 2.20 -0.44 -4.92 119.74 126.40 3gvj s LYS 710 Ca -0.06 -0.21 0.00 0.00 -0.36 0.00 0.00 55.97 55.35 3gvj s LYS 710 Cb -0.15 -1.50 0.00 0.00 -1.51 0.00 0.00 37.83 34.67 3gvj s LYS 710 CO 0.04 -0.27 0.00 -0.25 -0.36 0.00 0.00 175.35 174.51 3gvj n ASP 711 N 4.96 0.00 -2.19 1.43 8.00 -1.26 -2.11 116.55 125.38 3gvj n ASP 711 Ca -0.12 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.12 3gvj n ASP 711 Cb 0.50 0.00 0.15 0.00 -0.02 0.00 0.00 41.12 41.75 3gvj n ASP 711 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3gvj n ASN 712 N 4.53 4.82 -4.18 -2.24 3.02 -1.26 -4.90 115.26 115.05 3gvj n ASN 712 Ca 0.00 -3.68 -0.23 0.00 -0.03 0.00 0.00 54.58 50.64 3gvj n ASN 712 Cb 0.00 -0.86 -0.14 0.00 -0.61 0.00 0.00 39.78 38.17 3gvj n ASN 712 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3gvj s TYR 713 N -3.45 1.51 -0.02 3.10 2.02 -0.90 -0.50 117.35 119.11 3gvj s TYR 713 Ca 0.58 -0.34 0.02 0.00 -0.37 0.00 0.00 57.07 56.97 3gvj s TYR 713 Cb 0.48 -0.92 -0.03 0.00 -0.40 0.00 0.00 41.96 41.09 3gvj s TYR 713 CO 0.07 0.04 -0.04 -1.50 -1.57 0.00 0.00 175.55 172.54 3gvj s ILE 714 N -0.70 3.84 -0.11 2.71 2.07 -0.30 -1.33 121.20 127.39 3gvj s ILE 714 Ca 0.05 -0.63 0.02 0.00 -1.41 0.00 0.00 60.65 58.68 3gvj s ILE 714 Cb -0.08 -2.66 0.02 0.00 0.13 0.00 0.00 42.46 39.87 3gvj s ILE 714 CO 0.01 0.45 -0.15 -0.31 -1.91 0.00 0.00 174.94 173.02 3gvj s TYR 715 N -0.97 1.97 -0.34 3.50 2.02 0.47 -1.23 117.35 122.77 3gvj s TYR 715 Ca 0.16 -0.93 -0.04 0.00 -0.37 0.00 0.00 57.07 55.89 3gvj s TYR 715 Cb -0.11 -1.42 0.05 0.00 -0.40 0.00 0.00 41.96 40.08 3gvj s TYR 715 CO 0.07 -0.48 0.09 -0.47 -1.57 0.00 0.00 175.55 173.18 3gvj s TYR 716 N 1.01 3.30 -0.24 2.71 5.04 -0.21 -1.99 117.35 126.97 3gvj s TYR 716 Ca -0.06 -1.71 -0.13 0.00 -2.44 0.00 0.00 57.07 52.74 3gvj s TYR 716 Cb -0.15 -2.36 -0.05 0.00 0.35 0.00 0.00 41.96 39.76 3gvj s TYR 716 CO -0.02 -0.79 0.26 -1.64 -1.34 0.00 0.00 175.55 172.02 3gvj s MET 717 N 1.32 4.08 0.22 4.97 -1.94 -0.38 -0.70 119.30 126.86 3gvj s MET 717 Ca -0.02 -0.10 -0.22 0.00 -1.71 0.00 0.00 55.69 53.65 3gvj s MET 717 Cb -0.20 -3.57 0.04 0.00 2.01 0.00 0.00 34.83 33.11 3gvj s MET 717 CO 0.01 -0.04 0.65 -0.59 -0.01 0.00 0.00 175.02 175.04 3gvj s PHE 718 N 1.35 -0.34 0.42 -0.03 -0.12 -0.38 -1.22 117.98 117.67 3gvj s PHE 718 Ca 0.12 -0.00 -0.19 0.00 -0.05 0.00 0.00 56.93 56.80 3gvj s PHE 718 Cb -0.14 0.62 -0.10 0.00 -0.63 0.00 0.00 43.02 42.77 3gvj s PHE 718 CO 0.07 -1.05 0.91 0.20 -0.05 0.00 0.00 175.22 175.30 3gvj s GLY 719 N -2.84 2.31 0.06 1.99 0.00 -0.57 -0.56 107.32 107.71 3gvj s GLY 719 Ca 0.07 0.28 -0.17 0.00 0.00 0.00 0.00 44.72 44.90 3gvj s GLY 719 CO -0.02 0.54 0.38 -0.32 0.00 0.00 0.00 173.10 173.68 3gvj s GLY 720 N -2.38 -0.24 0.20 0.20 0.00 -0.49 -1.36 107.32 103.25 3gvj s GLY 720 Ca 0.60 0.15 0.02 0.00 0.00 0.00 0.00 44.72 45.49 3gvj s GLY 720 CO 0.17 -0.10 0.18 1.18 0.00 0.00 0.00 173.10 174.54 3gvj n GLU 721 N 0.35 1.12 -4.08 2.90 1.02 -0.68 -1.56 120.64 119.70 3gvj n GLU 721 Ca -0.18 -1.22 -0.19 0.00 -0.02 0.00 0.00 57.16 55.55 3gvj n GLU 721 Cb 0.61 0.09 -0.07 0.00 -0.02 0.00 0.00 31.44 32.04 3gvj n GLU 721 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3gvj n ASP 722 N -2.12 -0.30 -0.08 1.62 5.68 -1.23 -4.15 116.55 115.96 3gvj n ASP 722 Ca 0.01 -3.01 0.13 0.00 -0.50 0.00 0.00 54.79 51.41 3gvj n ASP 722 Cb 0.22 1.43 0.72 0.00 -1.14 0.00 0.00 41.12 42.36 3gvj n ASP 722 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 3gvj n HIS 723 N -0.63 0.01 -2.45 2.11 8.25 -1.26 -4.08 115.22 117.17 3gvj n HIS 723 Ca 0.05 -0.01 -0.43 0.00 -0.26 0.00 0.00 57.72 57.07 3gvj n HIS 723 Cb 0.56 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.65 3gvj n HIS 723 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3gvj s PHE 724 N -1.99 2.68 0.30 4.41 0.08 -1.26 -5.01 117.98 117.19 3gvj s PHE 724 Ca 0.38 0.82 -0.29 0.00 0.12 0.00 0.00 56.93 57.97 3gvj s PHE 724 Cb 0.18 -4.08 -0.10 0.00 -0.57 0.00 0.00 43.02 38.45 3gvj s PHE 724 CO 0.30 -1.61 1.29 1.21 -0.10 0.00 0.00 175.22 176.31 3gvj s ASN 725 N 2.93 6.83 0.13 1.36 3.84 -1.26 -4.40 114.94 124.37 3gvj s ASN 725 Ca 0.55 2.60 0.25 0.00 0.21 0.00 0.00 52.86 56.47 3gvj s ASN 725 Cb -0.14 -2.64 0.94 0.00 -0.55 0.00 0.00 41.25 38.87 3gvj s ASN 725 CO 0.26 -0.50 1.77 -0.81 -2.79 0.00 0.00 177.10 175.03 3gvj n PRO 726 N 1.21 0.14 -3.33 0.43 -0.04 -1.26 -4.78 135.00 127.36 3gvj n PRO 726 Ca 0.01 0.20 -0.18 0.00 -0.04 0.00 0.00 63.50 63.49 3gvj n PRO 726 Cb 0.42 -1.69 0.07 0.00 -0.04 0.00 0.00 33.50 32.26 3gvj n PRO 726 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3gvj n TRP 727 N -1.93 -2.20 0.03 0.54 5.03 -1.26 -4.68 117.44 112.96 3gvj n TRP 727 Ca 0.05 0.82 -0.17 0.00 3.03 0.00 0.00 57.50 61.23 3gvj n TRP 727 Cb 0.33 -4.39 -0.06 0.00 -1.03 0.00 0.00 31.31 26.15 3gvj n TRP 727 CO 0.00 0.00 0.00 1.15 -0.03 0.00 0.00 177.69 178.81 3gvj h THR 728 N -2.02 1.31 -3.48 -0.99 2.02 -1.89 0.12 112.91 107.98 3gvj h THR 728 Ca -0.47 -2.17 -0.77 0.00 0.77 0.00 0.00 66.41 63.76 3gvj h THR 728 Cb 1.30 2.21 -0.25 0.00 -1.74 0.00 0.00 68.15 69.66 3gvj h THR 728 CO 0.44 0.67 -0.06 -0.31 0.37 0.00 0.00 175.52 176.63 3gvj s TYR 729 N -3.50 3.52 -4.09 3.16 1.51 -1.26 -3.66 117.35 113.03 3gvj s TYR 729 Ca -0.09 -1.69 0.00 0.00 -1.01 0.00 0.00 57.07 54.28 3gvj s TYR 729 Cb 0.08 -3.79 0.00 0.00 -0.11 0.00 0.00 41.96 38.14 3gvj s TYR 729 CO 0.90 -1.00 0.00 0.41 -1.11 0.00 0.00 175.55 174.75 3gvj n GLY 730 N 4.55 0.38 0.12 0.71 0.00 -1.23 -4.96 105.19 104.75 3gvj n GLY 730 Ca 0.01 -1.32 0.13 0.00 0.00 0.00 0.00 46.02 44.83 3gvj n GLY 730 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gvj n ASP 731 N 0.00 0.36 -2.61 1.61 5.68 -1.22 -4.02 116.55 116.35 3gvj n ASP 731 Ca 0.00 -1.27 -0.13 0.00 -0.50 0.00 0.00 54.79 52.89 3gvj n ASP 731 Cb 0.00 -0.01 0.02 0.00 -1.14 0.00 0.00 41.12 39.99 3gvj n ASP 731 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3gvj n ASN 732 N -0.65 2.35 0.16 -1.12 5.15 0.43 -4.82 115.26 116.76 3gvj n ASN 732 Ca 0.19 -2.91 0.19 0.00 -0.60 0.00 0.00 54.58 51.45 3gvj n ASN 732 Cb 0.15 -0.50 0.79 0.00 -0.53 0.00 0.00 39.78 39.68 3gvj n ASN 732 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 3gvj h SER 733 N 2.83 0.00 0.97 1.20 4.64 -1.62 -0.60 113.55 120.97 3gvj h SER 733 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3gvj h SER 733 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3gvj h SER 733 CO 0.56 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.52 3gvj n ALA 734 N -2.27 2.06 -1.91 5.18 0.00 -1.26 -4.91 120.51 117.40 3gvj n ALA 734 Ca 0.04 -0.04 -0.15 0.00 0.00 0.00 0.00 53.44 53.30 3gvj n ALA 734 Cb 0.50 -1.40 -0.03 0.00 0.00 0.00 0.00 19.45 18.51 3gvj n ALA 734 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3gvj n LYS 735 N -1.83 -1.11 -1.61 0.00 5.02 -0.23 -4.95 118.16 113.45 3gvj n LYS 735 Ca 0.05 0.85 -0.48 0.00 -2.02 0.00 0.00 58.31 56.71 3gvj n LYS 735 Cb 0.31 -5.08 -0.05 0.00 -0.02 0.00 0.00 35.03 30.18 3gvj n LYS 735 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3gvj n ASP 736 N -0.63 3.08 0.28 4.39 -0.08 -1.26 -4.84 116.55 117.49 3gvj n ASP 736 Ca -0.16 0.71 0.17 0.00 -1.51 0.00 0.00 54.79 53.99 3gvj n ASP 736 Cb 0.57 -1.37 0.82 0.00 2.34 0.00 0.00 41.12 43.48 3gvj n ASP 736 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3gvj h PRO 737 N 10.96 0.00 -0.36 -0.67 0.11 -1.93 -3.17 132.00 136.94 3gvj h PRO 737 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3gvj h PRO 737 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3gvj h PRO 737 CO 0.97 0.06 0.00 1.19 -0.21 0.00 0.00 178.00 180.01 3gvj n PHE 738 N -3.31 0.47 -3.47 0.65 3.72 -1.26 -3.46 117.46 110.80 3gvj n PHE 738 Ca -0.01 -0.23 -0.38 0.00 -0.05 0.00 0.00 57.45 56.77 3gvj n PHE 738 Cb 0.23 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.71 3gvj n PHE 738 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3gvj s LYS 739 N -1.53 3.99 4.28 -1.08 1.02 -1.20 -4.93 119.74 120.30 3gvj s LYS 739 Ca 0.37 0.44 0.00 0.00 0.02 0.00 0.00 55.97 56.79 3gvj s LYS 739 Cb 0.21 -3.25 0.00 0.00 -0.52 0.00 0.00 37.83 34.27 3gvj s LYS 739 CO 0.29 0.63 0.00 0.45 -0.92 0.00 0.00 175.35 175.80 3gvj n SER 740 N 2.03 0.00 -1.07 2.83 2.88 -1.26 -1.78 113.62 117.24 3gvj n SER 740 Ca -0.13 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.50 3gvj n SER 740 Cb 0.52 0.00 0.25 0.00 -0.75 0.00 0.00 64.21 64.23 3gvj n SER 740 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3gvj n ASP 741 N 3.00 3.12 0.00 -3.46 8.00 -1.26 -5.03 116.55 120.92 3gvj n ASP 741 Ca 0.00 -2.06 0.00 0.00 0.71 0.00 0.00 54.79 53.44 3gvj n ASP 741 Cb 0.00 -0.40 0.00 0.00 -0.02 0.00 0.00 41.12 40.70 3gvj n ASP 741 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gvj n GLY 742 N 1.31 2.50 3.73 0.44 0.00 -0.74 -4.65 105.19 107.78 3gvj n GLY 742 Ca 0.19 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 3gvj n GLY 742 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gvj s HIS 743 N 0.00 3.40 -0.34 1.61 3.76 -0.50 -4.24 115.29 118.98 3gvj s HIS 743 Ca 0.00 0.30 0.26 0.00 -0.15 0.00 0.00 55.06 55.47 3gvj s HIS 743 Cb 0.00 -2.12 1.09 0.00 1.11 0.00 0.00 32.58 32.66 3gvj s HIS 743 CO 0.00 0.32 1.78 -1.00 -0.85 0.00 0.00 174.74 174.98 3gvj h PRO 744 N 6.48 0.00 -6.43 8.40 0.13 -1.83 -3.43 132.00 135.32 3gvj h PRO 744 Ca -0.42 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.17 3gvj h PRO 744 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 3gvj h PRO 744 CO 0.73 0.00 0.54 0.45 -0.23 0.00 0.00 178.00 179.49 3gvj s SER 745 N -4.57 7.14 0.21 1.44 0.15 -1.26 -3.56 113.70 113.25 3gvj s SER 745 Ca 0.03 1.90 -0.05 0.00 0.70 0.00 0.00 55.95 58.53 3gvj s SER 745 Cb 0.09 -2.57 -0.03 0.00 -1.71 0.00 0.00 66.02 61.80 3gvj s SER 745 CO 0.42 -0.45 0.25 -1.81 1.20 0.00 0.00 173.24 172.85 3gvj s ASP 746 N 1.12 0.07 0.08 5.45 1.01 -0.60 -2.22 116.67 121.58 3gvj s ASP 746 Ca 0.57 -1.22 -0.07 0.00 0.71 0.00 0.00 52.55 52.54 3gvj s ASP 746 Cb -0.27 0.45 -0.05 0.00 1.01 0.00 0.00 42.92 44.06 3gvj s ASP 746 CO 0.27 -0.94 0.36 -0.76 0.21 0.00 0.00 175.17 174.31 3gvj s LEU 747 N -3.10 4.33 0.16 1.23 1.43 -1.26 -1.40 118.68 120.06 3gvj s LEU 747 Ca 0.32 0.66 0.05 0.00 -1.03 0.00 0.00 54.13 54.14 3gvj s LEU 747 Cb 0.04 -3.00 -0.04 0.00 0.03 0.00 0.00 46.19 43.22 3gvj s LEU 747 CO 0.10 0.16 -0.12 -0.31 0.23 0.00 0.00 176.35 176.41 3gvj s TYR 748 N -1.45 1.39 -0.07 0.29 1.51 0.27 -0.64 117.35 118.64 3gvj s TYR 748 Ca 0.34 -0.69 -0.01 0.00 -1.01 0.00 0.00 57.07 55.70 3gvj s TYR 748 Cb -0.13 -0.69 0.03 0.00 -0.11 0.00 0.00 41.96 41.06 3gvj s TYR 748 CO 0.20 0.16 0.01 0.00 -1.11 0.00 0.00 175.55 174.80 3gvj s TYR 750 N 2.00 3.17 -0.37 0.00 5.04 0.12 -0.74 117.35 126.56 3gvj s TYR 750 Ca 0.05 0.55 -0.13 0.00 -2.44 0.00 0.00 57.07 55.09 3gvj s TYR 750 Cb -0.12 -3.15 0.00 0.00 0.35 0.00 0.00 41.96 39.04 3gvj s TYR 750 CO -0.05 -0.58 0.26 0.21 -1.34 0.00 0.00 175.55 174.05 3gvj s LYS 751 N 2.79 3.18 -0.09 4.97 2.20 -0.35 -1.05 119.74 131.39 3gvj s LYS 751 Ca 0.27 -0.87 0.04 0.00 -0.36 0.00 0.00 55.97 55.06 3gvj s LYS 751 Cb -0.14 -3.87 -0.00 0.00 -1.51 0.00 0.00 37.83 32.31 3gvj s LYS 751 CO 0.14 -0.61 -0.24 1.41 -0.36 0.00 0.00 175.35 175.69 3gvj s MET 752 N 1.68 2.92 0.03 4.03 -2.45 -0.37 -1.62 119.30 123.53 3gvj s MET 752 Ca 0.05 -0.87 -0.30 0.00 -1.25 0.00 0.00 55.69 53.31 3gvj s MET 752 Cb -0.18 -2.28 -0.05 0.00 1.25 0.00 0.00 34.83 33.57 3gvj s MET 752 CO 0.10 0.24 1.14 0.21 1.05 0.00 0.00 175.02 177.76 3gvj s LYS 753 N 0.19 4.46 0.00 4.11 2.20 0.05 -1.15 119.74 129.60 3gvj s LYS 753 Ca -0.14 1.66 0.00 0.00 -0.36 0.00 0.00 55.97 57.13 3gvj s LYS 753 Cb -0.17 -3.40 0.00 0.00 -1.51 0.00 0.00 37.83 32.75 3gvj s LYS 753 CO 0.07 -0.22 0.46 0.44 -0.36 0.00 0.00 175.35 175.75 3gvj n ILE 754 N 4.00 0.14 -3.87 5.43 -6.64 0.35 -4.79 119.36 113.97 3gvj n ILE 754 Ca 0.08 -0.44 -0.09 0.00 -1.77 0.00 0.00 62.75 60.53 3gvj n ILE 754 Cb 0.48 1.14 -0.00 0.00 -1.44 0.00 0.00 39.64 39.82 3gvj n ILE 754 CO 0.00 0.00 0.00 -0.83 -1.77 0.00 0.00 176.55 173.95 3gvj s GLY 755 N -0.14 0.43 0.41 3.28 0.00 -1.07 -4.97 107.32 105.25 3gvj s GLY 755 Ca 0.00 -0.77 -0.27 0.00 0.00 0.00 0.00 44.72 43.69 3gvj s GLY 755 CO 0.00 -0.38 1.40 -4.14 0.00 0.00 0.00 173.10 169.98 3gvj s PRO 756 N -2.92 3.94 -0.40 2.90 0.02 -1.26 -4.87 135.00 132.41 3gvj s PRO 756 Ca 0.17 2.37 -0.06 0.00 0.02 0.00 0.00 61.00 63.50 3gvj s PRO 756 Cb -0.04 -2.81 0.08 0.00 0.02 0.00 0.00 34.50 31.75 3gvj s PRO 756 CO 0.11 -0.59 0.20 0.34 -0.33 0.00 0.00 177.00 176.73 3gvj s ASP 757 N -0.47 5.40 -0.17 2.53 -1.08 -1.26 -4.83 116.67 116.79 3gvj s ASP 757 Ca 0.56 -1.61 0.12 0.00 -0.52 0.00 0.00 52.55 51.10 3gvj s ASP 757 Cb -0.43 -1.90 0.64 0.00 -1.46 0.00 0.00 42.92 39.77 3gvj s ASP 757 CO 0.56 -0.49 1.48 0.59 0.52 0.00 0.00 175.17 177.83 3gvj n ASN 758 N 4.77 4.58 -4.43 -0.34 4.13 -1.26 -4.87 115.26 117.85 3gvj n ASN 758 Ca -0.08 -2.66 -0.24 0.00 1.68 0.00 0.00 54.58 53.28 3gvj n ASN 758 Cb 0.43 -0.62 -0.11 0.00 -1.54 0.00 0.00 39.78 37.94 3gvj n ASN 758 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 3gvj s ARG 759 N -2.28 1.55 0.76 3.52 0.52 -1.26 -5.13 118.95 116.63 3gvj s ARG 759 Ca 0.43 -1.65 -0.14 0.00 -0.52 0.00 0.00 55.73 53.86 3gvj s ARG 759 Cb 0.32 -1.65 0.06 0.00 0.52 0.00 0.00 34.95 34.19 3gvj s ARG 759 CO 0.14 0.32 1.17 0.08 0.02 0.00 0.00 175.30 177.03 3gvj s VAL 760 N -2.31 2.48 0.49 3.52 1.01 -1.26 -4.92 120.40 119.41 3gvj s VAL 760 Ca 0.25 0.21 -0.23 0.00 0.00 0.00 0.00 61.98 62.21 3gvj s VAL 760 Cb -0.05 -2.65 -0.06 0.00 0.00 0.00 0.00 36.38 33.61 3gvj s VAL 760 CO 0.12 -0.15 1.35 -0.55 0.00 0.00 0.00 175.10 175.86 3gvj s SER 761 N -2.37 5.66 0.00 3.32 0.15 -1.26 -4.91 113.70 114.28 3gvj s SER 761 Ca 0.70 2.74 0.23 0.00 0.70 0.00 0.00 55.95 60.32 3gvj s SER 761 Cb -0.25 -2.64 0.17 0.00 -1.71 0.00 0.00 66.02 61.59 3gvj s SER 761 CO 0.48 -1.30 1.21 0.54 1.20 0.00 0.00 173.24 175.37 3gvj n ARG 762 N -0.60 2.10 -2.07 5.44 3.00 -1.26 -5.02 116.66 118.25 3gvj n ARG 762 Ca 0.08 -1.80 -0.41 0.00 -0.01 0.00 0.00 57.85 55.71 3gvj n ARG 762 Cb 0.44 -1.43 -0.02 0.00 0.00 0.00 0.00 32.46 31.45 3gvj n ARG 762 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3gvj s ASP 763 N -1.92 6.71 0.09 0.55 1.11 -1.26 -5.03 116.67 116.92 3gvj s ASP 763 Ca 0.26 2.74 0.03 0.00 0.18 0.00 0.00 52.55 55.75 3gvj s ASP 763 Cb 0.19 -2.65 -0.04 0.00 1.07 0.00 0.00 42.92 41.49 3gvj s ASP 763 CO 0.30 -0.58 -0.08 0.72 1.18 0.00 0.00 175.17 176.70 3gvj s PHE 764 N -1.12 0.91 -0.07 4.23 -0.71 -1.26 -5.13 117.98 114.84 3gvj s PHE 764 Ca 0.50 -0.74 -0.20 0.00 -1.04 0.00 0.00 56.93 55.44 3gvj s PHE 764 Cb -0.41 -0.52 -0.04 0.00 -1.21 0.00 0.00 43.02 40.84 3gvj s PHE 764 CO 0.54 -0.08 0.57 0.50 -1.34 0.00 0.00 175.22 175.41 3gvj s ARG 765 N -3.04 4.34 -0.32 1.99 3.52 -1.26 -5.04 118.95 119.15 3gvj s ARG 765 Ca 0.05 0.64 -0.29 0.00 -0.13 0.00 0.00 55.73 56.01 3gvj s ARG 765 Cb -0.01 -3.40 0.01 0.00 -1.56 0.00 0.00 34.95 29.99 3gvj s ARG 765 CO -0.02 0.22 1.18 -0.47 -0.81 0.00 0.00 175.30 175.40 3gvj s TYR 766 N 0.36 2.92 0.00 5.12 6.14 -1.26 -4.84 117.35 125.78 3gvj s TYR 766 Ca 0.30 1.01 0.00 0.00 0.64 0.00 0.00 57.07 59.03 3gvj s TYR 766 Cb -0.17 -3.84 0.00 0.00 0.42 0.00 0.00 41.96 38.38 3gvj s TYR 766 CO 0.14 -1.24 0.74 0.41 0.64 0.00 0.00 175.55 176.25 3gvj n GLY 767 N 4.13 0.87 3.85 8.97 0.00 -1.26 -5.07 105.19 116.68 3gvj n GLY 767 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 3gvj n GLY 767 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gvj s ALA 768 N -0.52 3.12 -0.11 4.61 0.00 -1.26 -5.03 121.76 122.57 3gvj s ALA 768 Ca 0.00 0.05 -0.29 0.00 0.00 0.00 0.00 51.96 51.72 3gvj s ALA 768 Cb 0.00 -3.04 -0.04 0.00 0.00 0.00 0.00 23.12 20.04 3gvj s ALA 768 CO 0.00 -0.30 1.52 0.08 0.00 0.00 0.00 175.76 177.06 3gvj s VAL 769 N -2.71 3.82 0.01 0.00 1.01 -1.26 -4.96 120.40 116.32 3gvj s VAL 769 Ca 0.57 0.99 -0.30 0.00 0.00 0.00 0.00 61.98 63.24 3gvj s VAL 769 Cb -0.10 -3.66 -0.08 0.00 0.00 0.00 0.00 36.38 32.53 3gvj s VAL 769 CO 0.36 -0.11 1.95 -2.84 0.00 0.00 0.00 175.10 174.47 3gvj s PRO 770 N 3.93 4.09 -0.07 2.72 0.02 -1.26 -4.82 135.00 139.61 3gvj s PRO 770 Ca 0.67 2.54 0.22 0.00 0.02 0.00 0.00 61.00 64.46 3gvj s PRO 770 Cb -0.29 -4.16 0.44 0.00 0.02 0.00 0.00 34.50 30.51 3gvj s PRO 770 CO 0.25 -1.01 1.18 -1.71 -0.33 0.00 0.00 177.00 175.37 3gvj n ASN 771 N 7.73 1.28 -0.11 2.53 5.15 -1.26 -4.76 115.26 125.81 3gvj n ASN 771 Ca 0.20 -2.42 -0.24 0.00 -0.60 0.00 0.00 54.58 51.52 3gvj n ASN 771 Cb 0.41 -0.36 -0.11 0.00 -0.53 0.00 0.00 39.78 39.19 3gvj n ASN 771 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3gvj n ARG 772 N 0.06 0.63 0.11 1.20 5.12 -1.26 -3.95 116.66 118.57 3gvj n ARG 772 Ca 0.10 0.29 -0.13 0.00 -1.93 0.00 0.00 57.85 56.17 3gvj n ARG 772 Cb 1.03 -1.57 -0.08 0.00 -1.16 0.00 0.00 32.46 30.67 3gvj n ARG 772 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3gvj h ALA 773 N -0.48 -0.27 -3.15 7.54 0.00 -2.01 -3.37 119.26 117.53 3gvj h ALA 773 Ca -0.57 -0.16 -0.63 0.00 0.00 0.00 0.00 54.91 53.56 3gvj h ALA 773 Cb 1.70 0.10 -0.41 0.00 0.00 0.00 0.00 17.79 19.18 3gvj h ALA 773 CO -0.23 -0.52 -0.63 0.08 0.00 0.00 0.00 179.25 177.95 3gvj s VAL 774 N -5.05 2.48 -0.18 0.00 1.01 -1.26 -5.10 120.40 112.31 3gvj s VAL 774 Ca -0.15 -3.66 -0.29 0.00 0.00 0.00 0.00 61.98 57.89 3gvj s VAL 774 Cb 0.03 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.70 3gvj s VAL 774 CO 0.61 -0.93 1.60 -2.84 0.00 0.00 0.00 175.10 173.54 3gvj s PRO 775 N -0.75 3.92 -0.06 2.72 0.02 -1.25 -4.85 135.00 134.75 3gvj s PRO 775 Ca 0.22 1.79 0.05 0.00 0.02 0.00 0.00 61.00 63.07 3gvj s PRO 775 Cb -0.14 -4.00 -0.02 0.00 0.02 0.00 0.00 34.50 30.36 3gvj s PRO 775 CO -0.09 -1.14 -0.20 0.08 -0.33 0.00 0.00 177.00 175.32 3gvj s VAL 776 N 4.80 2.57 -0.03 3.83 1.01 -1.26 -4.01 120.40 127.31 3gvj s VAL 776 Ca 0.71 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.80 3gvj s VAL 776 Cb -0.27 -1.98 0.02 0.00 0.00 0.00 0.00 36.38 34.16 3gvj s VAL 776 CO 0.28 0.57 -0.03 -0.36 0.00 0.00 0.00 175.10 175.56 3gvj s PHE 777 N -0.42 0.57 -0.37 5.22 0.08 -0.48 -4.90 117.98 117.68 3gvj s PHE 777 Ca 0.04 -0.12 -0.29 0.00 0.12 0.00 0.00 56.93 56.68 3gvj s PHE 777 Cb -0.12 -0.52 0.01 0.00 -0.57 0.00 0.00 43.02 41.82 3gvj s PHE 777 CO 0.02 -0.13 1.40 -0.06 -0.10 0.00 0.00 175.22 176.34 3gvj s PHE 778 N 0.73 2.46 1.14 0.36 0.40 -1.26 -0.16 117.98 121.66 3gvj s PHE 778 Ca -0.09 0.72 -0.18 0.00 -0.60 0.00 0.00 56.93 56.79 3gvj s PHE 778 Cb -0.12 -4.18 0.26 0.00 0.51 0.00 0.00 43.02 39.50 3gvj s PHE 778 CO -0.00 -1.97 1.13 0.34 0.70 0.00 0.00 175.22 175.42 3gvj s ASP 779 N 3.65 1.44 0.29 1.36 -1.08 -0.67 -4.82 116.67 116.83 3gvj s ASP 779 Ca 0.61 0.68 0.22 0.00 -0.52 0.00 0.00 52.55 53.54 3gvj s ASP 779 Cb -0.15 -0.97 1.07 0.00 -1.46 0.00 0.00 42.92 41.41 3gvj s ASP 779 CO 0.30 -3.81 1.68 0.35 0.52 0.00 0.00 175.17 174.21 3gvj n THR 780 N -4.55 0.94 1.19 1.71 -2.24 -1.26 -1.12 114.28 108.95 3gvj n THR 780 Ca 0.12 0.48 0.13 0.00 -2.27 0.00 0.00 64.05 62.51 3gvj n THR 780 Cb 0.59 -1.45 0.28 0.00 -2.10 0.00 0.00 70.33 67.65 3gvj n THR 780 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3gvj n ASN 781 N -2.25 2.38 0.00 3.42 5.15 -1.26 -4.97 115.26 117.73 3gvj n ASN 781 Ca 0.00 -1.79 0.00 0.00 -0.60 0.00 0.00 54.58 52.19 3gvj n ASN 781 Cb 0.13 -0.01 0.00 0.00 -0.53 0.00 0.00 39.78 39.37 3gvj n ASN 781 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3gvj n GLY 782 N 1.28 0.62 3.54 8.20 0.00 -0.27 -5.06 105.19 113.49 3gvj n GLY 782 Ca 0.16 -0.45 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 3gvj n GLY 782 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gvj s VAL 783 N -2.00 3.84 0.10 1.61 1.01 -1.26 -4.83 120.40 118.87 3gvj s VAL 783 Ca 0.00 -0.40 -0.33 0.00 0.00 0.00 0.00 61.98 61.25 3gvj s VAL 783 Cb 0.00 -2.64 -0.12 0.00 0.00 0.00 0.00 36.38 33.62 3gvj s VAL 783 CO 0.00 0.54 1.76 0.54 0.00 0.00 0.00 175.10 177.94 3gvj n ARG 784 N 2.99 2.46 -4.80 2.72 1.74 -1.26 -1.68 116.66 118.84 3gvj n ARG 784 Ca -0.18 0.89 -0.28 0.00 -0.77 0.00 0.00 57.85 57.51 3gvj n ARG 784 Cb 0.53 -2.73 -0.17 0.00 -1.02 0.00 0.00 32.46 29.07 3gvj n ARG 784 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3gvj s THR 785 N 2.33 1.55 -0.33 0.55 2.01 0.78 -4.92 115.64 117.62 3gvj s THR 785 Ca 0.83 -0.71 -0.06 0.00 0.31 0.00 0.00 61.69 62.06 3gvj s THR 785 Cb -0.59 -1.38 0.04 0.00 0.01 0.00 0.00 72.50 70.58 3gvj s THR 785 CO 0.40 0.45 0.08 -0.69 -0.69 0.00 0.00 174.62 174.17 3gvj s VAL 786 N 0.61 3.65 -0.89 3.82 1.01 -1.26 -1.38 120.40 125.96 3gvj s VAL 786 Ca -0.15 -1.15 0.25 0.00 0.00 0.00 0.00 61.98 60.93 3gvj s VAL 786 Cb -0.16 -3.06 0.03 0.00 0.00 0.00 0.00 36.38 33.19 3gvj s VAL 786 CO 0.05 -0.15 1.41 -2.65 0.00 0.00 0.00 175.10 173.76 3gvj n PRO 787 N 4.78 0.09 -2.64 2.72 -0.02 -1.26 -4.92 135.00 133.76 3gvj n PRO 787 Ca -0.13 0.02 -0.37 0.00 -2.02 0.00 0.00 63.50 61.01 3gvj n PRO 787 Cb 0.45 -1.55 -0.05 0.00 -0.02 0.00 0.00 33.50 32.32 3gvj n PRO 787 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gvj s ALA 788 N -3.05 3.15 0.32 3.55 0.00 -1.26 -5.03 121.76 119.44 3gvj s ALA 788 Ca 0.10 0.63 -0.28 0.00 0.00 0.00 0.00 51.96 52.41 3gvj s ALA 788 Cb 0.16 -3.24 -0.10 0.00 0.00 0.00 0.00 23.12 19.95 3gvj s ALA 788 CO 0.70 -0.06 1.17 -1.25 0.00 0.00 0.00 175.76 176.32 3gvj s PRO 789 N -2.31 4.43 0.02 0.00 0.04 -1.26 -5.03 135.00 130.88 3gvj s PRO 789 Ca 0.55 1.92 -0.01 0.00 0.04 0.00 0.00 61.00 63.49 3gvj s PRO 789 Cb -0.21 -3.03 -0.02 0.00 0.04 0.00 0.00 34.50 31.29 3gvj s PRO 789 CO 0.26 -0.02 -0.00 -1.64 0.04 0.00 0.00 177.00 175.65 3gvj s MET 790 N -1.75 0.33 -0.17 4.56 -1.94 -1.26 -5.14 119.30 113.94 3gvj s MET 790 Ca 0.49 -0.56 -0.01 0.00 -1.71 0.00 0.00 55.69 53.90 3gvj s MET 790 Cb -0.34 0.12 -0.00 0.00 2.01 0.00 0.00 34.83 36.62 3gvj s MET 790 CO 0.43 -0.06 -0.13 -1.21 -0.01 0.00 0.00 175.02 174.05 3gvj s GLU 791 N -1.41 3.27 -0.33 2.03 0.41 -1.26 -5.08 118.70 116.32 3gvj s GLU 791 Ca -0.15 -0.72 -0.07 0.00 -0.41 0.00 0.00 54.97 53.62 3gvj s GLU 791 Cb -0.09 -2.70 0.03 0.00 -1.78 0.00 0.00 34.13 29.59 3gvj s GLU 791 CO -0.01 -0.01 0.10 -0.06 -0.49 0.00 0.00 175.26 174.80 3gvj s PHE 792 N 0.90 3.23 -0.09 1.61 0.08 -1.26 -4.96 117.98 117.50 3gvj s PHE 792 Ca -0.03 -1.33 0.22 0.00 0.12 0.00 0.00 56.93 55.91 3gvj s PHE 792 Cb -0.15 -2.27 -0.33 0.00 -0.57 0.00 0.00 43.02 39.69 3gvj s PHE 792 CO -0.01 -0.70 0.51 0.25 -0.10 0.00 0.00 175.22 175.17 3gvj n THR 793 N 4.83 0.00 -2.03 0.64 -2.24 -1.26 -4.94 114.28 109.28 3gvj n THR 793 Ca -0.13 -0.47 -0.31 0.00 -2.27 0.00 0.00 64.05 60.87 3gvj n THR 793 Cb 0.45 0.06 -0.00 0.00 -2.10 0.00 0.00 70.33 68.74 3gvj n THR 793 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3gvj s GLY 794 N -4.43 1.75 0.21 3.38 0.00 -1.26 -4.97 107.32 101.99 3gvj s GLY 794 Ca -0.07 -0.04 -0.32 0.00 0.00 0.00 0.00 44.72 44.29 3gvj s GLY 794 CO 0.91 0.23 1.57 1.22 0.00 0.00 0.00 173.10 177.03 3gvj n ASP 795 N -2.45 3.32 -4.47 1.64 8.00 -1.26 -4.99 116.55 116.34 3gvj n ASP 795 Ca 0.06 1.10 -0.33 0.00 0.71 0.00 0.00 54.79 56.33 3gvj n ASP 795 Cb 0.54 -1.48 -0.13 0.00 -0.02 0.00 0.00 41.12 40.03 3gvj n ASP 795 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3gvj s LEU 796 N 0.58 2.79 -0.14 0.64 1.43 -1.26 -5.10 118.68 117.63 3gvj s LEU 796 Ca 0.74 -0.20 -0.02 0.00 -1.03 0.00 0.00 54.13 53.62 3gvj s LEU 796 Cb -0.61 -1.59 -0.02 0.00 0.03 0.00 0.00 46.19 44.00 3gvj s LEU 796 CO 0.41 0.31 -0.09 -0.83 0.23 0.00 0.00 176.35 176.38 3gvj s GLY 797 N -0.52 1.62 0.13 -3.19 0.00 -1.26 -5.12 107.32 98.99 3gvj s GLY 797 Ca 0.07 -0.86 0.11 0.00 0.00 0.00 0.00 44.72 44.04 3gvj s GLY 797 CO 0.02 -0.17 -0.26 1.08 0.00 0.00 0.00 173.10 173.76 3gvj s LEU 798 N 0.27 2.32 0.00 0.66 1.43 -1.26 -5.14 118.68 116.97 3gvj s LEU 798 Ca -0.07 -0.75 0.00 0.00 -1.03 0.00 0.00 54.13 52.28 3gvj s LEU 798 Cb -0.15 -1.19 0.00 0.00 0.03 0.00 0.00 46.19 44.88 3gvj s LEU 798 CO 0.04 0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.40 3gvj n GLY 799 N 0.90 0.86 3.71 -3.19 0.00 -1.26 -4.98 105.19 101.22 3gvj n GLY 799 Ca -0.18 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 3gvj n GLY 799 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3gvj s HIS 800 N 1.93 2.95 -0.12 1.61 5.65 -1.26 -5.00 115.29 121.05 3gvj s HIS 800 Ca 0.00 0.69 0.03 0.00 0.25 0.00 0.00 55.06 56.03 3gvj s HIS 800 Cb 0.00 -3.82 0.01 0.00 -1.18 0.00 0.00 32.58 27.59 3gvj s HIS 800 CO 0.00 -3.03 -0.23 0.08 -0.65 0.00 0.00 174.74 170.91 3gvj s VAL 801 N 1.65 2.06 -0.19 0.89 1.01 -1.26 -5.11 120.40 119.45 3gvj s VAL 801 Ca 0.68 -0.99 -0.03 0.00 0.00 0.00 0.00 61.98 61.64 3gvj s VAL 801 Cb -0.39 -1.80 -0.01 0.00 0.00 0.00 0.00 36.38 34.18 3gvj s VAL 801 CO 0.30 0.55 -0.07 -0.89 0.00 0.00 0.00 175.10 175.00 3gvj s THR 802 N 0.63 3.33 -0.37 3.92 2.01 -1.26 -5.09 115.64 118.81 3gvj s THR 802 Ca -0.12 -0.53 -0.16 0.00 0.31 0.00 0.00 61.69 61.20 3gvj s THR 802 Cb -0.16 -2.48 -0.00 0.00 0.01 0.00 0.00 72.50 69.87 3gvj s THR 802 CO 0.02 0.46 0.38 -0.63 -0.69 0.00 0.00 174.62 174.16 3gvj s ILE 803 N 1.07 5.15 0.57 1.82 -1.09 -1.26 -5.07 121.20 122.39 3gvj s ILE 803 Ca 0.01 -0.11 -0.07 0.00 -2.23 0.00 0.00 60.65 58.25 3gvj s ILE 803 Cb -0.15 -3.89 -0.01 0.00 -1.58 0.00 0.00 42.46 36.83 3gvj s ILE 803 CO -0.01 -0.20 0.90 -0.13 -1.23 0.00 0.00 174.94 174.27 3gvj s ARG 804 N 2.03 3.21 0.20 2.79 0.52 -1.26 -4.81 118.95 121.64 3gvj s ARG 804 Ca 0.11 0.21 -0.32 0.00 -0.52 0.00 0.00 55.73 55.21 3gvj s ARG 804 Cb -0.17 -2.25 -0.13 0.00 0.52 0.00 0.00 34.95 32.92 3gvj s ARG 804 CO 0.12 -0.55 1.61 0.00 0.02 0.00 0.00 175.30 176.50 3gvj n ALA 805 N -2.54 1.99 0.00 2.13 0.00 -1.26 -4.31 120.51 116.51 3gvj n ALA 805 Ca 0.04 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.89 3gvj n ALA 805 Cb 0.56 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.60 3gvj n ALA 805 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3gvj n SER 806 N 3.32 0.00 -3.99 0.00 3.41 -0.60 -4.91 113.62 110.86 3gvj n SER 806 Ca 0.15 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.59 3gvj n SER 806 Cb 0.32 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.12 3gvj n SER 806 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3gvj s THR 807 N -0.16 0.55 -0.66 6.66 2.01 -1.02 -4.54 115.64 118.48 3gvj s THR 807 Ca 0.00 -0.30 -0.01 0.00 0.31 0.00 0.00 61.69 61.70 3gvj s THR 807 Cb 0.00 -0.46 -0.01 0.00 0.01 0.00 0.00 72.50 72.04 3gvj s THR 807 CO 0.00 0.16 0.61 -0.24 -0.69 0.00 0.00 174.62 174.46 3gvj n SER 808 N 2.92 -6.69 -3.14 3.53 2.88 -1.26 -2.23 113.62 109.63 3gvj n SER 808 Ca -0.13 -0.14 -0.23 0.00 -1.33 0.00 0.00 58.87 57.04 3gvj n SER 808 Cb 0.58 -4.57 0.03 0.00 -0.75 0.00 0.00 64.21 59.49 3gvj n SER 808 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3gvj n SER 809 N -1.84 -5.42 -2.21 -3.46 7.64 -1.26 -2.16 113.62 104.91 3gvj n SER 809 Ca -0.01 -0.32 -0.16 0.00 1.01 0.00 0.00 58.87 59.39 3gvj n SER 809 Cb 0.52 -4.40 -0.02 0.00 -1.01 0.00 0.00 64.21 59.29 3gvj n SER 809 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3gvj n ASN 810 N -2.47 -4.62 0.14 6.43 3.02 -1.19 -4.86 115.26 111.70 3gvj n ASN 810 Ca -0.08 0.17 -0.00 0.00 -0.03 0.00 0.00 54.58 54.64 3gvj n ASN 810 Cb 0.60 -3.95 0.16 0.00 -0.61 0.00 0.00 39.78 35.97 3gvj n ASN 810 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3gvj h ILE 811 N 0.00 1.29 -3.87 2.41 2.10 -0.96 -3.41 117.51 115.07 3gvj h ILE 811 Ca -0.37 -2.18 -0.25 0.00 1.08 0.00 0.00 64.86 63.14 3gvj h ILE 811 Cb 1.22 2.22 -0.18 0.00 -1.09 0.00 0.00 36.82 39.00 3gvj h ILE 811 CO 0.45 0.59 -0.71 0.00 -1.08 0.00 0.00 178.15 177.40 3gvj s ARG 812 N -3.41 0.71 0.31 2.19 1.70 -1.03 -4.99 118.95 114.43 3gvj s ARG 812 Ca -0.00 -1.09 -0.10 0.00 -0.47 0.00 0.00 55.73 54.07 3gvj s ARG 812 Cb 0.11 -0.27 -0.07 0.00 -0.57 0.00 0.00 34.95 34.16 3gvj s ARG 812 CO 0.75 0.02 0.64 -1.54 -1.08 0.00 0.00 175.30 174.09 3gvj s SER 813 N -2.41 6.58 -0.15 -2.89 1.04 -1.26 -1.56 113.70 113.05 3gvj s SER 813 Ca 0.03 0.99 -0.07 0.00 0.48 0.00 0.00 55.95 57.37 3gvj s SER 813 Cb -0.02 -2.26 0.06 0.00 0.10 0.00 0.00 66.02 63.91 3gvj s SER 813 CO -0.02 -0.22 0.35 -0.70 0.98 0.00 0.00 173.24 173.63 3gvj s GLU 814 N -3.31 0.30 -0.09 4.02 2.12 -1.26 -4.96 118.70 115.51 3gvj s GLU 814 Ca 0.49 0.73 0.04 0.00 0.36 0.00 0.00 54.97 56.59 3gvj s GLU 814 Cb -0.11 -0.02 0.00 0.00 0.26 0.00 0.00 34.13 34.27 3gvj s GLU 814 CO 0.25 -0.18 -0.23 0.08 -0.54 0.00 0.00 175.26 174.64 3gvj s VAL 815 N 1.59 1.99 -0.05 3.70 1.01 -1.26 -5.06 120.40 122.32 3gvj s VAL 815 Ca -0.08 -0.98 0.06 0.00 0.00 0.00 0.00 61.98 60.99 3gvj s VAL 815 Cb -0.10 -1.72 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 3gvj s VAL 815 CO -0.11 0.54 -0.24 -0.76 0.00 0.00 0.00 175.10 174.53 3gvj s LEU 816 N 0.33 2.05 -0.14 3.92 1.43 -1.26 -5.12 118.68 119.90 3gvj s LEU 816 Ca -0.18 -0.49 -0.01 0.00 -1.03 0.00 0.00 54.13 52.43 3gvj s LEU 816 Cb -0.18 -1.33 -0.02 0.00 0.03 0.00 0.00 46.19 44.70 3gvj s LEU 816 CO 0.08 0.25 -0.11 -0.04 0.23 0.00 0.00 176.35 176.76 3gvj s MET 817 N -0.24 3.43 0.00 1.70 -1.94 -1.26 -5.12 119.30 115.87 3gvj s MET 817 Ca -0.01 -0.66 0.00 0.00 -1.71 0.00 0.00 55.69 53.32 3gvj s MET 817 Cb -0.13 -2.70 0.00 0.00 2.01 0.00 0.00 34.83 34.02 3gvj s MET 817 CO 0.03 0.19 0.00 0.39 -0.01 0.00 0.00 175.02 175.62 3gvj n GLU 818 N 3.61 1.62 0.00 2.03 1.02 -1.26 -4.81 120.64 122.85 3gvj n GLU 818 Ca -0.18 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 3gvj n GLU 818 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.95 3gvj n GLU 818 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gvj n GLY 819 N 5.00 -0.99 0.30 0.62 0.00 -1.26 -4.31 105.19 104.54 3gvj n GLY 819 Ca 0.00 -1.64 -0.05 0.00 0.00 0.00 0.00 46.02 44.33 3gvj n GLY 819 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3gvj h GLU 820 N 0.00 1.01 -3.87 1.61 4.81 -2.09 -3.45 114.58 112.60 3gvj h GLU 820 Ca 0.00 -0.08 -0.12 0.00 -0.13 0.00 0.00 59.36 59.03 3gvj h GLU 820 Cb 0.00 -0.22 -0.16 0.00 0.63 0.00 0.00 28.75 29.00 3gvj h GLU 820 CO 0.00 0.70 -0.51 1.52 -0.73 0.00 0.00 179.01 179.99 3gvj s TYR 821 N -6.03 0.24 0.19 0.92 1.13 -1.26 -5.16 117.35 107.38 3gvj s TYR 821 Ca -0.13 -0.61 0.05 0.00 -1.41 0.00 0.00 57.07 54.97 3gvj s TYR 821 Cb 0.15 -0.16 -0.04 0.00 -1.10 0.00 0.00 41.96 40.81 3gvj s TYR 821 CO 0.79 -0.41 0.21 0.20 -2.51 0.00 0.00 175.55 173.83 3gvj s GLY 822 N -2.42 1.58 -0.04 5.49 0.00 -1.26 -4.87 107.32 105.81 3gvj s GLY 822 Ca -0.01 -1.22 -0.02 0.00 0.00 0.00 0.00 44.72 43.47 3gvj s GLY 822 CO -0.07 -1.24 0.05 -0.12 0.00 0.00 0.00 173.10 171.73 3gvj s PHE 823 N -1.86 0.12 -0.25 1.90 2.19 -1.26 -5.12 117.98 113.70 3gvj s PHE 823 Ca 0.33 0.21 -0.02 0.00 0.33 0.00 0.00 56.93 57.77 3gvj s PHE 823 Cb -0.10 -0.50 0.02 0.00 -1.31 0.00 0.00 43.02 41.14 3gvj s PHE 823 CO 0.26 -0.20 -0.06 0.42 1.83 0.00 0.00 175.22 177.47 3gvj s ILE 824 N 2.07 2.95 0.40 3.12 1.01 -1.26 -5.11 121.20 124.38 3gvj s ILE 824 Ca 0.04 -0.95 0.05 0.00 0.00 0.00 0.00 60.65 59.78 3gvj s ILE 824 Cb -0.12 -2.48 -0.02 0.00 0.01 0.00 0.00 42.46 39.85 3gvj s ILE 824 CO -0.03 0.23 0.18 0.61 0.00 0.00 0.00 174.94 175.92 3gvj n GLY 825 N 4.69 3.14 2.94 6.18 0.00 -1.26 -5.16 105.19 115.72 3gvj n GLY 825 Ca -0.17 -2.07 -0.26 0.00 0.00 0.00 0.00 46.02 43.52 3gvj n GLY 825 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gvj s LYS 826 N -3.55 1.62 0.82 1.61 2.47 -1.26 -5.08 119.74 116.37 3gvj s LYS 826 Ca 0.25 -0.31 -0.11 0.00 -1.56 0.00 0.00 55.97 54.24 3gvj s LYS 826 Cb 0.01 -1.58 0.09 0.00 -1.46 0.00 0.00 37.83 34.89 3gvj s LYS 826 CO 0.18 -0.19 1.13 -1.54 0.16 0.00 0.00 175.35 175.09 3gvj s SER 827 N 1.44 3.82 -0.17 1.43 1.04 -1.26 -4.94 113.70 115.06 3gvj s SER 827 Ca 0.00 2.08 -0.29 0.00 0.48 0.00 0.00 55.95 58.22 3gvj s SER 827 Cb -0.13 -2.55 -0.03 0.00 0.10 0.00 0.00 66.02 63.41 3gvj s SER 827 CO -0.06 -2.50 1.46 -0.63 0.98 0.00 0.00 173.24 172.50 3gvj s ILE 828 N -2.61 3.92 0.47 -1.02 1.01 -1.26 -4.93 121.20 116.79 3gvj s ILE 828 Ca 0.66 1.09 -0.24 0.00 0.00 0.00 0.00 60.65 62.16 3gvj s ILE 828 Cb -0.22 -3.80 -0.08 0.00 0.01 0.00 0.00 42.46 38.37 3gvj s ILE 828 CO 0.54 -0.21 1.34 -2.65 0.00 0.00 0.00 174.94 173.96 3gvj n PRO 829 N 7.13 1.93 0.12 2.79 -0.02 -1.26 -4.93 135.00 140.76 3gvj n PRO 829 Ca 0.16 0.69 -0.22 0.00 -2.02 0.00 0.00 63.50 62.11 3gvj n PRO 829 Cb 0.45 -2.51 -0.14 0.00 -0.02 0.00 0.00 33.50 31.27 3gvj n PRO 829 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3gvj h THR 830 N 1.90 1.32 0.01 3.45 2.02 -1.99 -3.35 112.91 116.27 3gvj h THR 830 Ca -0.50 -2.66 -0.41 0.00 0.77 0.00 0.00 66.41 63.61 3gvj h THR 830 Cb 1.29 2.88 -0.06 0.00 -1.74 0.00 0.00 68.15 70.52 3gvj h THR 830 CO 0.59 0.80 -2.40 0.47 0.37 0.00 0.00 175.52 175.35 3gvj n ASP 831 N -3.72 1.97 -3.37 4.18 8.00 -1.26 -4.76 116.55 117.60 3gvj n ASP 831 Ca -0.14 0.12 -0.26 0.00 0.71 0.00 0.00 54.79 55.22 3gvj n ASP 831 Cb 1.04 -0.65 -0.08 0.00 -0.02 0.00 0.00 41.12 41.41 3gvj n ASP 831 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3gvj n ASN 832 N -3.77 2.88 0.21 -2.24 4.05 -1.26 -4.93 115.26 110.20 3gvj n ASN 832 Ca -0.48 -3.26 0.16 0.00 0.45 0.00 0.00 54.58 51.45 3gvj n ASN 832 Cb 0.93 -0.66 0.80 0.00 1.23 0.00 0.00 39.78 42.08 3gvj n ASN 832 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 3gvj h PRO 833 N 4.16 0.00 0.00 1.20 0.13 -1.86 -1.38 132.00 134.25 3gvj h PRO 833 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3gvj h PRO 833 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 3gvj h PRO 833 CO 0.74 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.51 3gvj n ALA 834 N -2.40 1.08 1.01 -0.56 0.00 -1.25 -1.94 120.51 116.45 3gvj n ALA 834 Ca 0.01 0.10 0.11 0.00 0.00 0.00 0.00 53.44 53.66 3gvj n ALA 834 Cb 0.27 -1.18 -0.00 0.00 0.00 0.00 0.00 19.45 18.53 3gvj n ALA 834 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gvj n GLY 835 N -1.26 -0.07 3.60 0.00 0.00 -0.52 -2.23 105.19 104.71 3gvj n GLY 835 Ca -0.00 -0.63 -0.60 0.00 0.00 0.00 0.00 46.02 44.78 3gvj n GLY 835 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3gvj n GLN 836 N -0.17 0.61 -3.58 1.61 7.27 -0.82 -4.91 117.38 117.40 3gvj n GLN 836 Ca 0.09 0.21 -0.05 0.00 0.07 0.00 0.00 57.00 57.32 3gvj n GLN 836 Cb 0.45 -1.87 -0.02 0.00 2.41 0.00 0.00 30.24 31.21 3gvj n GLN 836 CO 0.00 0.00 0.00 -0.98 0.07 0.00 0.00 177.06 176.15 3gvj s ARG 837 N 4.23 0.48 -0.10 3.69 1.70 -1.26 -1.13 118.95 126.56 3gvj s ARG 837 Ca 1.06 -0.19 0.04 0.00 -0.47 0.00 0.00 55.73 56.17 3gvj s ARG 837 Cb -1.24 0.21 -0.00 0.00 -0.57 0.00 0.00 34.95 33.35 3gvj s ARG 837 CO 0.68 -0.21 -0.22 0.42 -1.08 0.00 0.00 175.30 174.89 3gvj s ILE 838 N -2.63 2.22 -0.31 4.99 1.01 -0.74 -4.96 121.20 120.78 3gvj s ILE 838 Ca 0.09 -0.97 -0.13 0.00 0.00 0.00 0.00 60.65 59.64 3gvj s ILE 838 Cb -0.01 -1.85 -0.03 0.00 0.01 0.00 0.00 42.46 40.58 3gvj s ILE 838 CO -0.05 0.56 0.27 -0.63 0.00 0.00 0.00 174.94 175.08 3gvj s ILE 839 N 0.24 5.26 -0.14 2.92 1.01 -1.26 -1.79 121.20 127.42 3gvj s ILE 839 Ca -0.15 0.07 -0.07 0.00 0.00 0.00 0.00 60.65 60.51 3gvj s ILE 839 Cb -0.17 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 3gvj s ILE 839 CO 0.07 0.08 0.10 -0.36 0.00 0.00 0.00 174.94 174.84 3gvj s PHE 840 N 1.84 3.43 -0.05 3.97 0.08 -0.38 -4.99 117.98 121.87 3gvj s PHE 840 Ca 0.09 0.35 -0.06 0.00 0.12 0.00 0.00 56.93 57.43 3gvj s PHE 840 Cb -0.17 -1.99 0.01 0.00 -0.57 0.00 0.00 43.02 40.31 3gvj s PHE 840 CO 0.11 0.50 0.16 0.00 -0.10 0.00 0.00 175.22 175.89 3gvj n GLY 842 N 2.75 -0.74 0.48 0.00 0.00 -0.61 -4.90 105.19 102.17 3gvj n GLY 842 Ca -0.14 -0.27 -0.04 0.00 0.00 0.00 0.00 46.02 45.57 3gvj n GLY 842 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gvj n GLY 843 N 1.10 3.98 0.03 -0.02 0.00 -1.25 -4.83 105.19 104.19 3gvj n GLY 843 Ca 0.21 -1.92 0.13 0.00 0.00 0.00 0.00 46.02 44.43 3gvj n GLY 843 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3gvj n GLU 844 N -0.13 0.11 -4.14 1.61 0.00 -1.26 -4.86 120.64 111.98 3gvj n GLU 844 Ca -0.01 -0.05 -0.12 0.00 0.00 0.00 0.00 57.16 56.98 3gvj n GLU 844 Cb 0.09 -1.50 -0.08 0.00 0.00 0.00 0.00 31.44 29.95 3gvj n GLU 844 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 3gvj s GLY 845 N -2.93 1.28 0.50 -1.84 0.00 -1.26 -5.03 107.32 98.04 3gvj s GLY 845 Ca 0.14 -1.48 0.27 0.00 0.00 0.00 0.00 44.72 43.64 3gvj s GLY 845 CO 0.64 -1.13 2.00 -0.91 0.00 0.00 0.00 173.10 173.70 3gvj h THR 846 N 2.40 0.54 -2.89 0.90 1.35 -2.00 -3.42 112.91 109.79 3gvj h THR 846 Ca -0.31 -0.70 -0.53 0.00 -0.55 0.00 0.00 66.41 64.32 3gvj h THR 846 Cb 1.25 1.47 0.04 0.00 -1.73 0.00 0.00 68.15 69.17 3gvj h THR 846 CO 0.44 0.15 0.82 -0.55 -0.25 0.00 0.00 175.52 176.13 3gvj s SER 847 N -6.14 6.67 0.00 5.36 0.15 -1.26 -4.87 113.70 113.62 3gvj s SER 847 Ca -0.02 2.52 0.21 0.00 0.70 0.00 0.00 55.95 59.35 3gvj s SER 847 Cb 0.12 -2.59 1.03 0.00 -1.71 0.00 0.00 66.02 62.87 3gvj s SER 847 CO 0.60 -0.76 1.65 -1.54 1.20 0.00 0.00 173.24 174.38 3gvj n SER 848 N 3.94 0.00 0.27 5.45 3.41 -1.26 -1.27 113.62 124.15 3gvj n SER 848 Ca 0.13 0.01 0.13 0.00 -0.26 0.00 0.00 58.87 58.88 3gvj n SER 848 Cb 0.40 -0.29 0.77 0.00 -0.26 0.00 0.00 64.21 64.82 3gvj n SER 848 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 3gvj h THR 849 N 0.00 0.54 0.00 6.66 1.35 -1.92 -2.95 112.91 116.59 3gvj h THR 849 Ca 0.00 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 3gvj h THR 849 Cb 0.20 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.90 3gvj h THR 849 CO 0.00 0.09 -0.24 0.71 -0.25 0.00 0.00 175.52 175.83 3gvj h THR 850 N 0.00 0.00 0.00 6.82 1.35 -1.49 -3.49 112.91 116.11 3gvj h THR 850 Ca -0.00 -0.68 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 3gvj h THR 850 Cb 0.28 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.23 3gvj h THR 850 CO 0.01 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 3gvj n GLY 851 N 1.25 0.77 3.77 5.82 0.00 -1.11 -3.93 105.19 111.75 3gvj n GLY 851 Ca 0.04 -0.88 -0.40 0.00 0.00 0.00 0.00 46.02 44.77 3gvj n GLY 851 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gvj s ALA 852 N -2.00 3.38 0.06 4.61 0.00 -1.26 -4.66 121.76 121.89 3gvj s ALA 852 Ca 0.00 1.38 0.06 0.00 0.00 0.00 0.00 51.96 53.40 3gvj s ALA 852 Cb 0.00 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.55 3gvj s ALA 852 CO 0.00 -0.93 -0.16 -0.65 0.00 0.00 0.00 175.76 174.02 3gvj s GLN 853 N -2.16 1.02 -0.10 0.00 -0.21 -0.35 -1.57 119.66 116.29 3gvj s GLN 853 Ca 0.55 -0.89 0.02 0.00 0.02 0.00 0.00 55.36 55.06 3gvj s GLN 853 Cb -0.42 -1.09 0.01 0.00 1.00 0.00 0.00 33.01 32.52 3gvj s GLN 853 CO 0.55 0.26 -0.16 0.42 -2.12 0.00 0.00 175.29 174.24 3gvj s ILE 854 N -0.98 1.50 -0.24 1.08 1.01 -0.79 -0.48 121.20 122.30 3gvj s ILE 854 Ca 0.03 -0.66 -0.00 0.00 0.00 0.00 0.00 60.65 60.01 3gvj s ILE 854 Cb -0.09 -1.36 0.03 0.00 0.01 0.00 0.00 42.46 41.06 3gvj s ILE 854 CO 0.02 0.44 -0.09 -0.89 0.00 0.00 0.00 174.94 174.41 3gvj s THR 855 N 0.80 2.58 -0.25 2.92 2.01 -0.47 -1.25 115.64 121.99 3gvj s THR 855 Ca -0.11 -1.14 -0.18 0.00 0.31 0.00 0.00 61.69 60.57 3gvj s THR 855 Cb -0.16 -2.32 -0.03 0.00 0.01 0.00 0.00 72.50 70.01 3gvj s THR 855 CO 0.01 0.21 0.51 -0.76 -0.69 0.00 0.00 174.62 173.90 3gvj s LEU 856 N 1.27 4.07 -0.08 4.42 1.43 -0.74 -2.07 118.68 126.98 3gvj s LEU 856 Ca -0.01 0.53 -0.10 0.00 -1.03 0.00 0.00 54.13 53.53 3gvj s LEU 856 Cb -0.17 -2.66 -0.05 0.00 0.03 0.00 0.00 46.19 43.35 3gvj s LEU 856 CO -0.06 -0.26 0.23 -0.31 0.23 0.00 0.00 176.35 176.18 3gvj s TYR 857 N 2.18 3.64 0.84 0.29 4.12 -0.41 -1.79 117.35 126.23 3gvj s TYR 857 Ca 0.21 0.68 -0.12 0.00 0.02 0.00 0.00 57.07 57.86 3gvj s TYR 857 Cb -0.16 -2.06 0.12 0.00 -1.52 0.00 0.00 41.96 38.34 3gvj s TYR 857 CO 0.09 0.69 1.20 0.20 0.02 0.00 0.00 175.55 177.75 3gvj s GLY 858 N -1.00 1.66 0.39 0.71 0.00 -0.28 -3.35 107.32 105.45 3gvj s GLY 858 Ca 0.18 -0.88 0.18 0.00 0.00 0.00 0.00 44.72 44.20 3gvj s GLY 858 CO 0.07 -0.31 1.78 0.00 0.00 0.00 0.00 173.10 174.64 3gvj h ALA 859 N -1.17 1.10 0.00 3.20 0.00 -1.92 -2.23 119.26 118.25 3gvj h ALA 859 Ca -0.45 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.13 3gvj h ALA 859 Cb 1.30 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3gvj h ALA 859 CO 0.56 0.45 0.00 0.09 0.00 0.00 0.00 179.25 180.35 3gvj n ASN 860 N -3.66 0.54 -4.74 0.00 4.13 -1.26 -4.62 115.26 105.64 3gvj n ASN 860 Ca -0.01 0.55 -0.36 0.00 1.68 0.00 0.00 54.58 56.45 3gvj n ASN 860 Cb 0.46 -0.70 0.05 0.00 -1.54 0.00 0.00 39.78 38.06 3gvj n ASN 860 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 3gvj s ASN 861 N -4.02 4.84 0.33 6.41 3.84 -0.90 -3.94 114.94 121.50 3gvj s ASN 861 Ca 0.12 2.43 0.05 0.00 0.21 0.00 0.00 52.86 55.67 3gvj s ASN 861 Cb 0.15 -2.60 0.69 0.00 -0.55 0.00 0.00 41.25 38.93 3gvj s ASN 861 CO 0.57 -1.84 1.89 0.74 -2.79 0.00 0.00 177.10 175.68 3gvj h THR 862 N 0.54 0.95 -3.55 -5.21 2.02 -1.75 -2.70 112.91 103.20 3gvj h THR 862 Ca -0.50 -0.29 -0.80 0.00 0.77 0.00 0.00 66.41 65.59 3gvj h THR 862 Cb 1.31 0.03 -0.28 0.00 -1.74 0.00 0.00 68.15 67.47 3gvj h THR 862 CO 0.53 0.15 0.46 0.47 0.37 0.00 0.00 175.52 177.51 3gvj n ASP 863 N -4.53 5.53 -4.68 4.18 8.00 -1.26 -5.02 116.55 118.77 3gvj n ASP 863 Ca 0.15 -3.04 -0.42 0.00 0.71 0.00 0.00 54.79 52.19 3gvj n ASP 863 Cb 0.33 -1.38 -0.03 0.00 -0.02 0.00 0.00 41.12 40.02 3gvj n ASP 863 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3gvj s SER 864 N 1.30 6.62 -1.84 -2.24 0.15 -1.02 -2.42 113.70 114.25 3gvj s SER 864 Ca 0.31 2.41 0.00 0.00 0.70 0.00 0.00 55.95 59.37 3gvj s SER 864 Cb -0.10 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 3gvj s SER 864 CO -0.08 -0.91 0.00 0.54 1.20 0.00 0.00 173.24 174.00 3gvj n ARG 865 N 6.24 -1.62 -2.03 5.44 1.74 -0.89 -4.93 116.66 120.61 3gvj n ARG 865 Ca 0.16 1.03 -0.36 0.00 -0.77 0.00 0.00 57.85 57.92 3gvj n ARG 865 Cb 0.41 -5.55 0.03 0.00 -1.02 0.00 0.00 32.46 26.33 3gvj n ARG 865 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3gvj s ARG 866 N -4.39 3.01 -0.09 5.56 3.52 -1.01 -4.76 118.95 120.78 3gvj s ARG 866 Ca 0.00 1.77 0.03 0.00 -0.13 0.00 0.00 55.73 57.39 3gvj s ARG 866 Cb 0.00 -1.94 0.01 0.00 -1.56 0.00 0.00 34.95 31.46 3gvj s ARG 866 CO 0.00 -1.16 -0.18 0.42 -0.81 0.00 0.00 175.30 173.57 3gvj s ILE 867 N -1.67 1.60 -0.22 4.11 1.01 -1.26 -1.28 121.20 123.49 3gvj s ILE 867 Ca 0.76 -0.74 -0.04 0.00 0.00 0.00 0.00 60.65 60.63 3gvj s ILE 867 Cb -0.29 -1.41 -0.01 0.00 0.01 0.00 0.00 42.46 40.76 3gvj s ILE 867 CO 0.33 0.46 -0.04 -0.69 0.00 0.00 0.00 174.94 175.00 3gvj s VAL 868 N 0.55 3.47 -0.31 2.92 1.01 -0.88 -4.98 120.40 122.19 3gvj s VAL 868 Ca -0.16 -0.46 -0.10 0.00 0.00 0.00 0.00 61.98 61.26 3gvj s VAL 868 Cb -0.17 -2.58 -0.01 0.00 0.00 0.00 0.00 36.38 33.62 3gvj s VAL 868 CO 0.05 0.42 0.16 -0.31 0.00 0.00 0.00 175.10 175.43 3gvj s TYR 869 N 1.38 3.18 -0.33 5.22 2.02 -1.26 -1.36 117.35 126.19 3gvj s TYR 869 Ca 0.05 -0.45 -0.00 0.00 -0.37 0.00 0.00 57.07 56.30 3gvj s TYR 869 Cb -0.14 -2.36 0.11 0.00 -0.40 0.00 0.00 41.96 39.16 3gvj s TYR 869 CO -0.02 -0.41 0.12 1.21 -1.57 0.00 0.00 175.55 174.88 3gvj s ASN 870 N 1.64 4.01 0.25 2.29 2.47 0.36 -5.01 114.94 120.96 3gvj s ASN 870 Ca 0.05 -1.83 0.01 0.00 0.42 0.00 0.00 52.86 51.51 3gvj s ASN 870 Cb -0.17 -0.94 -0.04 0.00 -1.45 0.00 0.00 41.25 38.65 3gvj s ASN 870 CO 0.07 -0.39 0.13 -0.83 -3.72 0.00 0.00 177.10 172.36 3gvj s GLY 871 N 1.37 1.73 0.00 1.21 0.00 -1.26 -1.21 107.32 109.16 3gvj s GLY 871 Ca 0.11 -1.79 0.26 0.00 0.00 0.00 0.00 44.72 43.30 3gvj s GLY 871 CO -0.20 -1.51 1.55 1.22 0.00 0.00 0.00 173.10 174.16 3gvj n ASP 872 N -0.56 1.01 -3.78 1.64 8.00 -1.26 -4.74 116.55 116.87 3gvj n ASP 872 Ca 0.01 -0.87 -0.13 0.00 0.71 0.00 0.00 54.79 54.52 3gvj n ASP 872 Cb 0.66 0.15 -0.11 0.00 -0.02 0.00 0.00 41.12 41.79 3gvj n ASP 872 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3gvj s GLU 873 N -2.53 0.35 -0.34 -1.24 2.02 -1.26 -5.12 118.70 110.58 3gvj s GLU 873 Ca 0.24 0.34 -0.00 0.00 0.02 0.00 0.00 54.97 55.56 3gvj s GLU 873 Cb 0.19 0.17 0.08 0.00 0.10 0.00 0.00 34.13 34.67 3gvj s GLU 873 CO 0.53 -0.05 0.06 -1.01 0.02 0.00 0.00 175.26 174.81 3gvj s HIS 874 N 0.03 3.47 -0.27 1.61 3.76 -1.26 -5.07 115.29 117.56 3gvj s HIS 874 Ca -0.01 -2.33 -0.00 0.00 -0.15 0.00 0.00 55.06 52.56 3gvj s HIS 874 Cb -0.02 -2.59 0.05 0.00 1.11 0.00 0.00 32.58 31.12 3gvj s HIS 874 CO 0.01 -0.89 -0.06 -0.51 -0.85 0.00 0.00 174.74 172.43 3gvj s LEU 875 N 1.13 3.49 -0.43 0.89 1.43 -1.26 -5.07 118.68 118.86 3gvj s LEU 875 Ca 0.02 -1.18 -0.18 0.00 -1.03 0.00 0.00 54.13 51.76 3gvj s LEU 875 Cb -0.21 -1.64 0.02 0.00 0.03 0.00 0.00 46.19 44.40 3gvj s LEU 875 CO -0.04 -0.19 0.47 -0.36 0.23 0.00 0.00 176.35 176.46 3gvj s PHE 876 N 1.23 3.15 0.05 0.29 0.40 -1.26 -5.05 117.98 116.79 3gvj s PHE 876 Ca -0.05 -0.36 0.03 0.00 -0.60 0.00 0.00 56.93 55.95 3gvj s PHE 876 Cb -0.19 -2.98 -0.04 0.00 0.51 0.00 0.00 43.02 40.33 3gvj s PHE 876 CO -0.04 -0.74 0.02 -1.14 0.70 0.00 0.00 175.22 174.02 3gvj s GLN 877 N 2.22 2.72 0.00 0.44 0.74 -1.26 -4.68 119.66 119.85 3gvj s GLN 877 Ca 0.13 -0.70 0.00 0.00 0.05 0.00 0.00 55.36 54.84 3gvj s GLN 877 Cb -0.17 -2.64 0.00 0.00 1.10 0.00 0.00 33.01 31.30 3gvj s GLN 877 CO 0.14 0.58 0.00 0.43 -0.55 0.00 0.00 175.29 175.89 3gvj n SER 878 N 0.93 0.00 -3.46 6.67 7.64 -1.26 -4.92 113.62 119.22 3gvj n SER 878 Ca -0.12 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.63 3gvj n SER 878 Cb 0.52 -0.42 -0.03 0.00 -1.01 0.00 0.00 64.21 63.27 3gvj n SER 878 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gvj s ALA 879 N -2.73 -1.67 0.66 -0.43 0.00 -1.26 -5.15 121.76 111.18 3gvj s ALA 879 Ca 0.00 0.79 -0.18 0.00 0.00 0.00 0.00 51.96 52.57 3gvj s ALA 879 Cb 0.00 0.57 -0.01 0.00 0.00 0.00 0.00 23.12 23.68 3gvj s ALA 879 CO 0.00 -0.64 1.20 -0.25 0.00 0.00 0.00 175.76 176.07 3gvj n ASP 880 N 0.00 1.64 -4.52 0.00 8.00 -1.26 -4.99 116.55 115.43 3gvj n ASP 880 Ca -0.17 0.79 -0.43 0.00 0.71 0.00 0.00 54.79 55.70 3gvj n ASP 880 Cb 0.62 -1.51 -0.07 0.00 -0.02 0.00 0.00 41.12 40.15 3gvj n ASP 880 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3gvj s VAL 881 N -1.49 4.81 0.10 2.53 1.01 -1.26 -5.04 120.40 121.06 3gvj s VAL 881 Ca 0.80 0.18 0.07 0.00 0.00 0.00 0.00 61.98 63.03 3gvj s VAL 881 Cb -0.38 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 31.76 3gvj s VAL 881 CO 0.43 -0.59 -0.19 -0.54 0.00 0.00 0.00 175.10 174.21 3gvj s LYS 882 N 2.86 1.04 0.46 2.72 1.02 -1.26 -5.13 119.74 121.46 3gvj s LYS 882 Ca 0.23 -1.12 -0.20 0.00 0.02 0.00 0.00 55.97 54.91 3gvj s LYS 882 Cb -0.14 -1.21 -0.10 0.00 -0.52 0.00 0.00 37.83 35.86 3gvj s LYS 882 CO 0.19 0.28 0.98 -1.25 -0.92 0.00 0.00 175.35 174.62 3gvj s PRO 883 N -1.94 4.05 0.17 -1.68 0.04 -1.26 -4.98 135.00 129.40 3gvj s PRO 883 Ca 0.05 1.13 -0.11 0.00 0.04 0.00 0.00 61.00 62.11 3gvj s PRO 883 Cb -0.10 -2.15 0.07 0.00 0.04 0.00 0.00 34.50 32.36 3gvj s PRO 883 CO 0.04 -0.19 1.69 -0.92 0.04 0.00 0.00 177.00 177.66 3gvj h TYR 884 N 1.58 0.99 -1.74 0.56 3.20 -2.00 -3.45 116.97 116.11 3gvj h TYR 884 Ca -0.49 -0.11 -0.50 0.00 3.14 0.00 0.00 58.73 60.77 3gvj h TYR 884 Cb 1.19 -0.28 -0.04 0.00 1.54 0.00 0.00 36.73 39.14 3gvj h TYR 884 CO 0.61 0.84 -0.43 -0.80 -1.64 0.00 0.00 178.16 176.74 3gvj s ASN 885 N -6.26 5.15 -0.23 -2.11 -0.87 -1.26 -5.10 114.94 104.26 3gvj s ASN 885 Ca -0.13 -0.60 -0.14 0.00 -1.57 0.00 0.00 52.86 50.42 3gvj s ASN 885 Cb 0.13 -0.82 -0.04 0.00 -0.02 0.00 0.00 41.25 40.50 3gvj s ASN 885 CO 0.82 -0.45 0.33 -0.62 -2.57 0.00 0.00 177.10 174.61 3gvj s ASP 886 N -4.03 6.30 -1.31 -1.22 2.15 -1.26 -4.49 116.67 112.81 3gvj s ASP 886 Ca 0.43 0.34 -0.03 0.00 0.43 0.00 0.00 52.55 53.72 3gvj s ASP 886 Cb -0.05 -2.19 0.01 0.00 -0.30 0.00 0.00 42.92 40.40 3gvj s ASP 886 CO 0.27 -0.07 0.89 -3.20 -0.17 0.00 0.00 175.17 172.88 3gvj n ASN 887 N 4.67 -2.52 0.00 -0.34 5.15 -1.26 -4.89 115.26 116.07 3gvj n ASN 887 Ca -0.10 -0.72 0.00 0.00 -0.60 0.00 0.00 54.58 53.16 3gvj n ASN 887 Cb 0.51 -4.48 0.00 0.00 -0.53 0.00 0.00 39.78 35.28 3gvj n ASN 887 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 3gvj n VAL 888 N -4.37 0.00 -4.42 3.44 0.31 -1.26 -5.09 118.33 106.94 3gvj n VAL 888 Ca -0.22 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 63.87 3gvj n VAL 888 Cb 0.64 -0.37 -0.09 0.00 -0.91 0.00 0.00 33.84 33.11 3gvj n VAL 888 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3gvj s THR 889 N -1.60 2.72 0.32 2.52 -4.23 -1.26 -5.14 115.64 108.97 3gvj s THR 889 Ca 0.00 -2.23 0.09 0.00 -1.18 0.00 0.00 61.69 58.36 3gvj s THR 889 Cb 0.00 -2.50 -0.04 0.00 1.34 0.00 0.00 72.50 71.29 3gvj s THR 889 CO 0.00 -0.36 0.08 0.00 -0.54 0.00 0.00 174.62 173.80 3gvj s ALA 890 N -2.47 3.36 -0.30 3.99 0.00 -1.26 -5.02 121.76 120.07 3gvj s ALA 890 Ca 0.31 -1.81 -0.21 0.00 0.00 0.00 0.00 51.96 50.25 3gvj s ALA 890 Cb -0.04 -0.67 -0.01 0.00 0.00 0.00 0.00 23.12 22.40 3gvj s ALA 890 CO 0.17 0.09 0.65 -0.51 0.00 0.00 0.00 175.76 176.16 3gvj s LEU 891 N -3.78 4.13 0.00 0.00 1.43 -1.26 -4.97 118.68 114.22 3gvj s LEU 891 Ca 0.36 0.49 0.00 0.00 -1.03 0.00 0.00 54.13 53.95 3gvj s LEU 891 Cb -0.03 -2.85 0.00 0.00 0.03 0.00 0.00 46.19 43.34 3gvj s LEU 891 CO 0.21 -0.48 0.00 0.61 0.23 0.00 0.00 176.35 176.92 3gvj n GLY 892 N 4.36 -2.09 3.74 -3.19 0.00 -1.26 -4.94 105.19 101.81 3gvj n GLY 892 Ca -0.00 -1.43 -0.09 0.00 0.00 0.00 0.00 46.02 44.50 3gvj n GLY 892 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gvj s GLY 893 N -2.20 0.38 0.49 -0.02 0.00 -0.19 -4.96 107.32 100.81 3gvj s GLY 893 Ca 0.00 -0.72 0.18 0.00 0.00 0.00 0.00 44.72 44.19 3gvj s GLY 893 CO 0.00 -0.38 2.06 -2.55 0.00 0.00 0.00 173.10 172.23 3gvj h PRO 894 N 2.06 0.00 -0.49 2.90 0.11 -2.01 -1.30 132.00 133.27 3gvj h PRO 894 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3gvj h PRO 894 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3gvj h PRO 894 CO 0.33 0.12 0.00 0.43 -0.21 0.00 0.00 178.00 178.67 3gvj n SER 895 N -4.20 3.54 -3.04 -2.05 7.64 -1.26 -4.64 113.62 109.60 3gvj n SER 895 Ca -0.02 -2.14 -0.18 0.00 1.01 0.00 0.00 58.87 57.53 3gvj n SER 895 Cb 0.20 -0.38 -0.02 0.00 -1.01 0.00 0.00 64.21 63.00 3gvj n SER 895 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3gvj n ASN 896 N 0.83 -0.68 -4.77 6.43 4.13 -0.51 -5.12 115.26 115.57 3gvj n ASN 896 Ca 0.18 -2.97 -0.39 0.00 1.68 0.00 0.00 54.58 53.07 3gvj n ASN 896 Cb 0.58 0.18 -0.06 0.00 -1.54 0.00 0.00 39.78 38.94 3gvj n ASN 896 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 3gvj s ARG 897 N -0.80 4.34 0.45 3.52 0.52 -1.13 -1.02 118.95 124.82 3gvj s ARG 897 Ca 0.34 0.82 -0.23 0.00 -0.52 0.00 0.00 55.73 56.15 3gvj s ARG 897 Cb 0.22 -3.31 -0.08 0.00 0.52 0.00 0.00 34.95 32.30 3gvj s ARG 897 CO -0.14 0.44 1.11 -0.06 0.02 0.00 0.00 175.30 176.67 3gvj s PHE 898 N -0.47 3.01 0.18 -0.53 0.40 -1.26 -4.95 117.98 114.36 3gvj s PHE 898 Ca 0.32 1.58 -0.09 0.00 -0.60 0.00 0.00 56.93 58.13 3gvj s PHE 898 Cb -0.19 -3.26 0.07 0.00 0.51 0.00 0.00 43.02 40.14 3gvj s PHE 898 CO 0.19 -1.15 1.65 1.79 0.70 0.00 0.00 175.22 178.40 3gvj h THR 899 N 1.92 1.26 -2.22 0.64 1.35 -2.04 -3.47 112.91 110.36 3gvj h THR 899 Ca -0.49 -1.11 0.04 0.00 -0.55 0.00 0.00 66.41 64.30 3gvj h THR 899 Cb 1.23 0.76 -0.01 0.00 -1.73 0.00 0.00 68.15 68.41 3gvj h THR 899 CO 0.61 0.41 0.22 1.07 -0.25 0.00 0.00 175.52 177.57 3gvj n THR 900 N -4.21 0.00 -3.78 6.82 5.66 -1.26 -5.15 114.28 112.36 3gvj n THR 900 Ca 0.03 -0.35 -0.23 0.00 -3.05 0.00 0.00 64.05 60.45 3gvj n THR 900 Cb 0.33 0.41 -0.17 0.00 -1.55 0.00 0.00 70.33 69.34 3gvj n THR 900 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3gvj s ALA 901 N -1.50 0.77 -0.42 1.79 0.00 -1.26 -5.11 121.76 116.03 3gvj s ALA 901 Ca 0.09 -0.19 -0.27 0.00 0.00 0.00 0.00 51.96 51.60 3gvj s ALA 901 Cb -0.02 -0.78 0.02 0.00 0.00 0.00 0.00 23.12 22.34 3gvj s ALA 901 CO 0.04 -0.49 1.00 0.71 0.00 0.00 0.00 175.76 177.02 3gvj s TYR 902 N 1.94 2.96 0.13 0.00 1.51 -1.26 -5.03 117.35 117.61 3gvj s TYR 902 Ca 0.05 0.67 0.07 0.00 -1.01 0.00 0.00 57.07 56.85 3gvj s TYR 902 Cb -0.12 -3.97 -0.04 0.00 -0.11 0.00 0.00 41.96 37.72 3gvj s TYR 902 CO -0.06 -1.03 -0.16 -0.51 -1.11 0.00 0.00 175.55 172.68 3gvj s LEU 903 N 3.85 2.40 0.00 -1.29 1.43 -1.26 -5.03 118.68 118.78 3gvj s LEU 903 Ca 0.41 -0.81 0.26 0.00 -1.03 0.00 0.00 54.13 52.96 3gvj s LEU 903 Cb -0.10 -0.68 0.73 0.00 0.03 0.00 0.00 46.19 46.17 3gvj s LEU 903 CO 0.24 -0.08 1.56 0.61 0.23 0.00 0.00 176.35 178.90 3gvj n GLY 904 N 0.52 -1.04 3.62 -3.19 0.00 -1.26 -4.94 105.19 98.90 3gvj n GLY 904 Ca -0.15 -0.34 -0.07 0.00 0.00 0.00 0.00 46.02 45.46 3gvj n GLY 904 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gvj s SER 905 N -2.79 -0.33 0.70 1.61 1.04 -1.26 -5.16 113.70 107.51 3gvj s SER 905 Ca 0.17 -0.23 -0.16 0.00 0.48 0.00 0.00 55.95 56.21 3gvj s SER 905 Cb 0.18 0.52 0.02 0.00 0.10 0.00 0.00 66.02 66.84 3gvj s SER 905 CO 0.61 -0.90 1.24 0.20 0.98 0.00 0.00 173.24 175.36 3gvj s ASN 906 N -2.75 4.36 0.27 7.02 0.02 -1.26 -4.93 114.94 117.66 3gvj s ASN 906 Ca 0.07 2.47 -0.30 0.00 -1.02 0.00 0.00 52.86 54.08 3gvj s ASN 906 Cb -0.02 -2.60 -0.13 0.00 0.02 0.00 0.00 41.25 38.52 3gvj s ASN 906 CO -0.04 -2.16 1.31 -2.65 0.02 0.00 0.00 177.10 173.58 3gvj n PRO 907 N -2.38 1.93 -3.03 -0.60 -0.02 -1.26 -4.95 135.00 124.69 3gvj n PRO 907 Ca 0.14 0.68 -0.43 0.00 -2.02 0.00 0.00 63.50 61.87 3gvj n PRO 907 Cb 0.49 -2.27 -0.06 0.00 -0.02 0.00 0.00 33.50 31.65 3gvj n PRO 907 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3gvj s ILE 908 N -0.50 4.69 -0.21 4.25 1.01 -1.26 -5.03 121.20 124.16 3gvj s ILE 908 Ca 0.63 -0.07 -0.05 0.00 0.00 0.00 0.00 60.65 61.16 3gvj s ILE 908 Cb -0.64 -4.36 -0.02 0.00 0.01 0.00 0.00 42.46 37.45 3gvj s ILE 908 CO 0.55 -0.86 -0.01 -0.69 0.00 0.00 0.00 174.94 173.93 3gvj s VAL 909 N 3.13 3.80 0.00 2.92 1.01 -1.26 -5.30 120.40 124.70 3gvj s VAL 909 Ca 0.22 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.84 3gvj s VAL 909 Cb -0.16 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.50 3gvj s VAL 909 CO 0.16 0.42 0.05 0.35 0.00 0.00 0.00 175.10 176.09