#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gvl s PRO 242 N 0.00 3.97 0.01 5.55 0.04 -1.26 -5.04 135.00 138.27 3gvl s PRO 242 Ca 0.00 1.97 -0.01 0.00 0.04 0.00 0.00 61.00 63.01 3gvl s PRO 242 Cb 0.00 -2.68 -0.04 0.00 0.04 0.00 0.00 34.50 31.82 3gvl s PRO 242 CO 0.00 -0.43 0.12 1.03 0.04 0.00 0.00 177.00 177.76 3gvl s ARG 243 N -2.32 3.17 -0.01 4.56 1.81 -1.26 -5.11 118.95 119.80 3gvl s ARG 243 Ca 0.58 -0.46 -0.13 0.00 -1.72 0.00 0.00 55.73 53.99 3gvl s ARG 243 Cb -0.34 -2.92 -0.05 0.00 -0.45 0.00 0.00 34.95 31.19 3gvl s ARG 243 CO 0.43 0.64 0.38 0.20 -0.68 0.00 0.00 175.30 176.26 3gvl s GLY 244 N -1.93 2.43 0.57 -3.53 0.00 -1.26 -5.10 107.32 98.51 3gvl s GLY 244 Ca 0.26 -0.28 -0.00 0.00 0.00 0.00 0.00 44.72 44.69 3gvl s GLY 244 CO 0.17 0.06 0.81 -1.35 0.00 0.00 0.00 173.10 172.80 3gvl s SER 245 N -1.12 5.24 0.17 1.64 1.04 -1.26 -4.67 113.70 114.74 3gvl s SER 245 Ca 0.23 0.11 -0.31 0.00 0.48 0.00 0.00 55.95 56.47 3gvl s SER 245 Cb -0.16 -0.99 -0.09 0.00 0.10 0.00 0.00 66.02 64.88 3gvl s SER 245 CO 0.13 -1.19 1.49 0.00 0.98 0.00 0.00 173.24 174.64 3gvl s ALA 246 N -2.84 3.69 -0.08 5.32 0.00 -1.26 -4.94 121.76 121.66 3gvl s ALA 246 Ca 0.57 1.29 0.03 0.00 0.00 0.00 0.00 51.96 53.85 3gvl s ALA 246 Cb -0.10 -3.58 -0.25 0.00 0.00 0.00 0.00 23.12 19.19 3gvl s ALA 246 CO 0.40 -0.72 0.53 1.63 0.00 0.00 0.00 175.76 177.60 3gvl n LYS 247 N 3.59 0.69 -3.65 0.00 4.76 -1.26 -5.00 118.16 117.30 3gvl n LYS 247 Ca 0.12 0.28 -0.24 0.00 -2.87 0.00 0.00 58.31 55.60 3gvl n LYS 247 Cb 0.40 -1.76 0.07 0.00 -1.84 0.00 0.00 35.03 31.90 3gvl n LYS 247 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3gvl n GLY 248 N 1.76 -0.48 0.49 0.72 0.00 -1.26 -4.90 105.19 101.52 3gvl n GLY 248 Ca -0.24 0.20 0.05 0.00 0.00 0.00 0.00 46.02 46.04 3gvl n GLY 248 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gvl n ASP 249 N -3.00 2.22 0.00 1.61 5.68 -1.13 -3.90 116.55 118.02 3gvl n ASP 249 Ca -0.07 -1.62 0.00 0.00 -0.50 0.00 0.00 54.79 52.60 3gvl n ASP 249 Cb 0.58 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 3gvl n ASP 249 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gvl n GLY 250 N 0.57 0.39 1.23 6.12 0.00 -0.50 -4.74 105.19 108.26 3gvl n GLY 250 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3gvl n GLY 250 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3gvl n VAL 251 N -2.35 0.36 -1.76 1.61 0.31 -1.26 -4.63 118.33 110.61 3gvl n VAL 251 Ca 0.00 0.12 -0.42 0.00 -0.01 0.00 0.00 64.34 64.03 3gvl n VAL 251 Cb 0.14 -1.31 -0.02 0.00 -0.91 0.00 0.00 33.84 31.74 3gvl n VAL 251 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3gvl s THR 252 N -2.00 2.02 -0.56 2.52 2.01 -1.26 -4.90 115.64 113.46 3gvl s THR 252 Ca 0.00 0.02 -0.27 0.00 0.31 0.00 0.00 61.69 61.75 3gvl s THR 252 Cb 0.00 -3.01 -0.00 0.00 0.01 0.00 0.00 72.50 69.49 3gvl s THR 252 CO 0.00 0.00 1.64 -0.62 -0.69 0.00 0.00 174.62 174.95 3gvl s ASP 253 N 0.61 5.75 0.00 3.53 -1.08 -1.26 -4.02 116.67 120.20 3gvl s ASP 253 Ca 0.65 0.39 0.16 0.00 -0.52 0.00 0.00 52.55 53.23 3gvl s ASP 253 Cb -0.48 -2.54 0.52 0.00 -1.46 0.00 0.00 42.92 38.96 3gvl s ASP 253 CO 0.46 -1.99 1.40 0.47 0.52 0.00 0.00 175.17 176.03 3gvl n ASP 254 N 10.93 1.80 -0.07 -0.34 8.00 0.13 -4.50 116.55 132.51 3gvl n ASP 254 Ca 0.16 -1.86 -0.07 0.00 0.71 0.00 0.00 54.79 53.73 3gvl n ASP 254 Cb 0.50 -0.18 -0.00 0.00 -0.02 0.00 0.00 41.12 41.42 3gvl n ASP 254 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 3gvl h THR 255 N 2.15 0.79 -0.15 -3.53 2.02 -1.89 -0.94 112.91 111.36 3gvl h THR 255 Ca 0.00 -0.03 -0.00 0.00 0.77 0.00 0.00 66.41 67.15 3gvl h THR 255 Cb 0.48 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 3gvl h THR 255 CO 0.00 0.01 0.09 0.00 0.37 0.00 0.00 175.52 175.99 3gvl h ALA 256 N 1.25 0.19 -0.68 6.16 0.00 -1.95 -0.80 119.26 123.43 3gvl h ALA 256 Ca 0.14 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3gvl h ALA 256 Cb 0.18 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3gvl h ALA 256 CO -0.23 -0.28 0.35 0.00 0.00 0.00 0.00 179.25 179.09 3gvl h ALA 257 N 0.99 0.87 -0.47 0.00 0.00 -1.76 -0.91 119.26 117.98 3gvl h ALA 257 Ca 0.05 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 3gvl h ALA 257 Cb 0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3gvl h ALA 257 CO -0.01 0.42 -0.20 -0.07 0.00 0.00 0.00 179.25 179.38 3gvl h LEU 258 N 0.94 0.98 -0.31 0.00 3.38 -1.05 -0.98 115.31 118.27 3gvl h LEU 258 Ca 0.24 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 57.87 3gvl h LEU 258 Cb 0.08 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 3gvl h LEU 258 CO -0.03 1.14 0.14 0.74 0.09 0.00 0.00 178.44 180.52 3gvl h THR 259 N 0.83 0.97 -0.53 0.22 2.02 -0.87 -0.47 112.91 115.08 3gvl h THR 259 Ca 0.11 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.18 3gvl h THR 259 Cb 0.77 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.80 3gvl h THR 259 CO 0.06 0.05 0.31 -1.28 0.37 0.00 0.00 175.52 175.04 3gvl h SER 260 N 0.30 0.65 -0.44 4.18 0.87 -1.03 -0.42 113.55 117.66 3gvl h SER 260 Ca 0.13 -0.07 0.01 0.00 -1.23 0.00 0.00 61.79 60.63 3gvl h SER 260 Cb 0.06 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.83 3gvl h SER 260 CO -0.10 0.53 0.28 0.00 -0.53 0.00 0.00 176.83 177.01 3gvl h ALA 261 N 1.15 0.55 -0.62 6.23 0.00 -0.93 -0.96 119.26 124.67 3gvl h ALA 261 Ca 0.19 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 3gvl h ALA 261 Cb 0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3gvl h ALA 261 CO -0.03 -0.02 0.01 -0.07 0.00 0.00 0.00 179.25 179.14 3gvl h LEU 262 N 0.57 1.06 -1.24 0.00 3.38 -0.83 -2.01 115.31 116.25 3gvl h LEU 262 Ca 0.16 -0.30 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 3gvl h LEU 262 Cb -0.04 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.41 3gvl h LEU 262 CO -0.05 1.10 -0.17 0.78 0.09 0.00 0.00 178.44 180.19 3gvl h ASN 263 N 1.00 0.31 0.01 -0.43 -0.26 -0.82 -3.20 115.58 112.19 3gvl h ASN 263 Ca 0.18 -0.08 0.00 0.00 -0.56 0.00 0.00 56.30 55.84 3gvl h ASN 263 Cb 0.55 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.73 3gvl h ASN 263 CO 0.03 0.50 -0.14 0.47 -1.06 0.00 0.00 177.43 177.22 3gvl n ASP 264 N -4.21 2.14 -4.48 5.81 8.00 -0.39 -4.93 116.55 118.50 3gvl n ASP 264 Ca -0.00 -1.62 -0.32 0.00 0.71 0.00 0.00 54.79 53.56 3gvl n ASP 264 Cb 0.32 0.13 -0.13 0.00 -0.02 0.00 0.00 41.12 41.41 3gvl n ASP 264 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3gvl s THR 265 N -2.18 3.05 0.43 -3.53 2.01 -0.78 -5.06 115.64 109.59 3gvl s THR 265 Ca 0.28 -0.78 -0.25 0.00 0.31 0.00 0.00 61.69 61.24 3gvl s THR 265 Cb 0.20 -2.21 -0.09 0.00 0.01 0.00 0.00 72.50 70.40 3gvl s THR 265 CO 0.40 0.55 1.25 -2.65 -0.69 0.00 0.00 174.62 173.48 3gvl n PRO 266 N 2.18 1.85 0.28 4.92 -0.02 -1.26 -4.88 135.00 138.07 3gvl n PRO 266 Ca -0.17 0.66 0.14 0.00 -2.02 0.00 0.00 63.50 62.11 3gvl n PRO 266 Cb 0.52 -2.36 0.82 0.00 -0.02 0.00 0.00 33.50 32.46 3gvl n PRO 266 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3gvl h VAL 267 N 1.97 0.54 0.00 -1.45 2.07 -1.99 -1.91 116.25 115.47 3gvl h VAL 267 Ca -0.48 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 66.76 3gvl h VAL 267 Cb 1.30 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 3gvl h VAL 267 CO 0.59 0.06 -0.20 0.61 0.02 0.00 0.00 177.57 178.65 3gvl n GLY 268 N -0.98 -1.45 3.74 2.17 0.00 -1.26 -4.86 105.19 102.55 3gvl n GLY 268 Ca -0.02 -0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 3gvl n GLY 268 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3gvl s GLN 269 N -3.03 4.40 -0.40 1.61 2.00 -0.72 -4.99 119.66 118.53 3gvl s GLN 269 Ca 0.12 2.03 -0.22 0.00 -2.00 0.00 0.00 55.36 55.29 3gvl s GLN 269 Cb 0.17 -3.20 0.01 0.00 0.80 0.00 0.00 33.01 30.79 3gvl s GLN 269 CO 0.61 -0.24 0.72 0.15 -0.50 0.00 0.00 175.29 176.03 3gvl s LYS 270 N -0.09 3.57 -0.35 1.67 -0.14 -1.26 -4.82 119.74 118.32 3gvl s LYS 270 Ca 0.56 0.03 -0.27 0.00 -1.36 0.00 0.00 55.97 54.93 3gvl s LYS 270 Cb -0.36 -3.87 0.01 0.00 -1.68 0.00 0.00 37.83 31.94 3gvl s LYS 270 CO 0.38 -0.92 0.97 0.42 -0.76 0.00 0.00 175.35 175.44 3gvl s ILE 271 N 3.01 4.56 -0.22 2.17 1.01 0.13 -4.78 121.20 127.08 3gvl s ILE 271 Ca 0.28 1.39 -0.25 0.00 0.00 0.00 0.00 60.65 62.07 3gvl s ILE 271 Cb -0.13 -4.35 -0.01 0.00 0.01 0.00 0.00 42.46 37.97 3gvl s ILE 271 CO 0.18 -0.51 0.84 0.21 0.00 0.00 0.00 174.94 175.66 3gvl s ASN 272 N 1.80 6.88 0.00 3.58 3.84 -1.26 -0.98 114.94 128.80 3gvl s ASN 272 Ca 0.41 1.09 0.27 0.00 0.21 0.00 0.00 52.86 54.83 3gvl s ASN 272 Cb -0.12 -2.44 1.19 0.00 -0.55 0.00 0.00 41.25 39.32 3gvl s ASN 272 CO 0.17 -0.49 1.81 0.61 -2.79 0.00 0.00 177.10 176.42 3gvl n GLY 273 N 3.65 -0.25 2.46 1.21 0.00 -0.65 -4.92 105.19 106.68 3gvl n GLY 273 Ca 0.05 -0.36 -0.19 0.00 0.00 0.00 0.00 46.02 45.53 3gvl n GLY 273 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3gvl n ASN 274 N -0.14 -5.46 0.00 1.61 3.02 -1.12 -1.99 115.26 111.19 3gvl n ASN 274 Ca 0.19 0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.75 3gvl n ASN 274 Cb 0.27 -4.55 0.00 0.00 -0.61 0.00 0.00 39.78 34.89 3gvl n ASN 274 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gvl n GLY 275 N -1.00 0.35 3.94 7.41 0.00 -0.06 -5.01 105.19 110.82 3gvl n GLY 275 Ca -0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.56 3gvl n GLY 275 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gvl s LYS 276 N -0.67 2.84 -0.16 1.61 1.02 -0.84 -4.83 119.74 118.70 3gvl s LYS 276 Ca 0.00 -0.33 -0.03 0.00 0.02 0.00 0.00 55.97 55.63 3gvl s LYS 276 Cb 0.00 -2.40 -0.02 0.00 -0.52 0.00 0.00 37.83 34.89 3gvl s LYS 276 CO 0.00 -0.60 -0.05 0.99 -0.92 0.00 0.00 175.35 174.77 3gvl s THR 277 N -2.82 3.73 -0.19 2.17 2.01 -1.25 -1.93 115.64 117.35 3gvl s THR 277 Ca 0.53 -0.41 -0.01 0.00 0.31 0.00 0.00 61.69 62.11 3gvl s THR 277 Cb -0.10 -2.64 0.01 0.00 0.01 0.00 0.00 72.50 69.78 3gvl s THR 277 CO 0.41 0.48 -0.14 -0.31 -0.69 0.00 0.00 174.62 174.38 3gvl s TYR 278 N 0.52 2.84 0.10 4.92 2.02 0.12 -1.41 117.35 126.44 3gvl s TYR 278 Ca -0.04 -1.28 -0.30 0.00 -0.37 0.00 0.00 57.07 55.08 3gvl s TYR 278 Cb -0.14 -1.97 -0.06 0.00 -0.40 0.00 0.00 41.96 39.39 3gvl s TYR 278 CO 0.03 -0.65 1.09 0.21 -1.57 0.00 0.00 175.55 174.67 3gvl s LYS 279 N 1.24 4.54 0.06 -0.62 2.20 -1.26 -1.18 119.74 124.73 3gvl s LYS 279 Ca 0.03 1.65 0.01 0.00 -0.36 0.00 0.00 55.97 57.29 3gvl s LYS 279 Cb -0.14 -3.35 -0.03 0.00 -1.51 0.00 0.00 37.83 32.80 3gvl s LYS 279 CO -0.07 -0.05 -0.05 0.14 -0.36 0.00 0.00 175.35 174.96 3gvl s VAL 280 N 0.47 0.43 -0.38 4.02 -7.23 -0.78 -0.69 120.40 116.25 3gvl s VAL 280 Ca 0.53 -1.54 0.23 0.00 -1.81 0.00 0.00 61.98 59.39 3gvl s VAL 280 Cb -0.27 -1.16 0.07 0.00 0.56 0.00 0.00 36.38 35.58 3gvl s VAL 280 CO 0.31 -0.73 1.21 0.71 -0.31 0.00 0.00 175.10 176.29 3gvl h THR 281 N 3.65 0.00 -3.11 5.32 1.35 -1.96 -3.41 112.91 114.75 3gvl h THR 281 Ca -0.35 -0.86 -0.07 0.00 -0.55 0.00 0.00 66.41 64.59 3gvl h THR 281 Cb 1.17 1.46 -0.16 0.00 -1.73 0.00 0.00 68.15 68.89 3gvl h THR 281 CO 0.56 0.00 -0.11 -0.94 -0.25 0.00 0.00 175.52 174.78 3gvl s SER 282 N -5.17 -0.26 0.09 5.36 1.04 -1.26 -4.91 113.70 108.59 3gvl s SER 282 Ca 0.03 -0.07 -0.31 0.00 0.48 0.00 0.00 55.95 56.08 3gvl s SER 282 Cb 0.10 0.43 -0.07 0.00 0.10 0.00 0.00 66.02 66.57 3gvl s SER 282 CO 0.75 -0.69 1.40 -0.76 0.98 0.00 0.00 173.24 174.92 3gvl s LEU 283 N -2.14 4.36 0.00 2.42 1.43 -1.26 -5.02 118.68 118.47 3gvl s LEU 283 Ca -0.04 2.29 0.00 0.00 -1.03 0.00 0.00 54.13 55.35 3gvl s LEU 283 Cb -0.00 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.64 3gvl s LEU 283 CO -0.04 -0.67 0.00 -0.81 0.23 0.00 0.00 176.35 175.06 3gvl n PRO 284 N 4.24 0.47 -2.25 1.29 -0.04 -1.26 -4.91 135.00 132.54 3gvl n PRO 284 Ca 0.12 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.25 3gvl n PRO 284 Cb 0.43 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.84 3gvl n PRO 284 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3gvl s ASP 285 N -1.00 5.67 0.47 3.54 -1.08 -1.26 -4.81 116.67 118.20 3gvl s ASP 285 Ca 0.00 -1.30 0.14 0.00 -0.52 0.00 0.00 52.55 50.87 3gvl s ASP 285 Cb 0.00 -2.57 1.13 0.00 -1.46 0.00 0.00 42.92 40.01 3gvl s ASP 285 CO 0.00 -2.32 2.08 0.40 0.52 0.00 0.00 175.17 175.85 3gvl h ILE 286 N 6.70 0.98 0.00 4.11 2.04 -1.97 -2.36 117.51 127.01 3gvl h ILE 286 Ca 0.19 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.97 3gvl h ILE 286 Cb 0.98 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 37.78 3gvl h ILE 286 CO 1.30 0.04 -0.00 0.77 0.00 0.00 0.00 178.15 180.26 3gvl h SER 287 N 0.23 0.00 0.04 1.72 4.64 -1.99 -1.68 113.55 116.51 3gvl h SER 287 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 3gvl h SER 287 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3gvl h SER 287 CO -0.02 0.00 -0.05 0.54 -0.87 0.00 0.00 176.83 176.43 3gvl n ARG 288 N -3.11 1.50 -4.24 4.77 1.74 -0.89 -4.89 116.66 111.55 3gvl n ARG 288 Ca -0.03 -0.87 -0.31 0.00 -0.77 0.00 0.00 57.85 55.87 3gvl n ARG 288 Cb 0.09 -1.48 -0.09 0.00 -1.02 0.00 0.00 32.46 29.96 3gvl n ARG 288 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3gvl s PHE 289 N -2.10 3.00 0.16 -1.55 0.40 -0.63 -0.70 117.98 116.55 3gvl s PHE 289 Ca 0.35 0.00 0.10 0.00 -0.60 0.00 0.00 56.93 56.78 3gvl s PHE 289 Cb 0.21 -1.59 -0.04 0.00 0.51 0.00 0.00 43.02 42.10 3gvl s PHE 289 CO 0.37 0.45 -0.22 0.96 0.70 0.00 0.00 175.22 177.49 3gvl s ILE 290 N -1.18 2.02 -1.41 0.64 -4.36 -0.15 -3.98 121.20 112.78 3gvl s ILE 290 Ca 0.22 -1.87 -0.08 0.00 -0.26 0.00 0.00 60.65 58.66 3gvl s ILE 290 Cb -0.12 -1.90 0.04 0.00 1.25 0.00 0.00 42.46 41.74 3gvl s ILE 290 CO 0.14 -0.16 0.98 -3.20 0.24 0.00 0.00 174.94 172.93 3gvl n ASN 291 N 0.50 -4.12 -4.02 4.36 5.15 -0.36 -1.64 115.26 115.13 3gvl n ASN 291 Ca -0.15 -0.71 -0.18 0.00 -0.60 0.00 0.00 54.58 52.94 3gvl n ASN 291 Cb 0.56 -4.34 -0.15 0.00 -0.53 0.00 0.00 39.78 35.32 3gvl n ASN 291 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3gvl s THR 292 N -3.39 0.68 -0.03 -0.44 2.01 -1.26 -0.89 115.64 112.31 3gvl s THR 292 Ca 0.43 -0.39 0.07 0.00 0.31 0.00 0.00 61.69 62.11 3gvl s THR 292 Cb -0.21 -0.57 -0.02 0.00 0.01 0.00 0.00 72.50 71.71 3gvl s THR 292 CO 0.79 0.18 -0.24 -0.60 -0.69 0.00 0.00 174.62 174.05 3gvl s ARG 293 N -0.24 2.15 -0.01 4.92 3.52 -0.82 -1.23 118.95 127.25 3gvl s ARG 293 Ca 0.03 -0.87 0.02 0.00 -0.13 0.00 0.00 55.73 54.78 3gvl s ARG 293 Cb -0.03 -1.98 -0.03 0.00 -1.56 0.00 0.00 34.95 31.34 3gvl s ARG 293 CO -0.00 0.47 -0.04 -0.06 -0.81 0.00 0.00 175.30 174.86 3gvl s PHE 294 N -0.42 2.98 -0.14 5.12 0.08 0.08 -0.71 117.98 124.97 3gvl s PHE 294 Ca 0.05 0.03 -0.00 0.00 0.12 0.00 0.00 56.93 57.12 3gvl s PHE 294 Cb -0.11 -1.65 -0.01 0.00 -0.57 0.00 0.00 43.02 40.68 3gvl s PHE 294 CO 0.01 0.41 -0.13 0.54 -0.10 0.00 0.00 175.22 175.95 3gvl s VAL 295 N -1.00 3.01 -0.08 -0.44 0.11 -0.32 -0.58 120.40 121.09 3gvl s VAL 295 Ca 0.17 -0.67 -0.05 0.00 -2.93 0.00 0.00 61.98 58.51 3gvl s VAL 295 Cb -0.11 -2.27 0.04 0.00 -1.53 0.00 0.00 36.38 32.50 3gvl s VAL 295 CO 0.08 0.52 0.20 -0.47 -3.33 0.00 0.00 175.10 172.09 3gvl s TYR 296 N 0.51 -0.25 -0.89 1.54 6.04 -0.63 -1.86 117.35 121.81 3gvl s TYR 296 Ca -0.09 0.63 -0.10 0.00 0.04 0.00 0.00 57.07 57.55 3gvl s TYR 296 Cb -0.16 0.01 0.23 0.00 -1.04 0.00 0.00 41.96 41.01 3gvl s TYR 296 CO 0.04 -0.18 0.83 -1.21 -1.54 0.00 0.00 175.55 173.49 3gvl s GLU 297 N 0.96 3.61 0.22 4.97 2.02 -1.26 -1.83 118.70 127.39 3gvl s GLU 297 Ca -0.07 -2.79 -0.08 0.00 0.02 0.00 0.00 54.97 52.05 3gvl s GLU 297 Cb -0.09 -4.32 0.28 0.00 0.10 0.00 0.00 34.13 30.10 3gvl s GLU 297 CO -0.06 -1.26 1.82 -0.09 0.02 0.00 0.00 175.26 175.70 3gvl h ARG 298 N 7.15 0.77 -5.04 1.61 2.43 -1.94 -3.35 114.38 116.01 3gvl h ARG 298 Ca 0.12 -0.05 -0.64 0.00 -0.81 0.00 0.00 59.98 58.60 3gvl h ARG 298 Cb 0.95 -0.17 -0.22 0.00 -0.42 0.00 0.00 29.97 30.11 3gvl h ARG 298 CO 0.83 0.51 -0.63 0.42 -1.51 0.00 0.00 179.97 179.59 3gvl s ILE 299 N -6.08 4.22 0.21 1.20 -1.09 -1.26 -5.08 121.20 113.32 3gvl s ILE 299 Ca -0.13 -0.21 -0.32 0.00 -2.23 0.00 0.00 60.65 57.76 3gvl s ILE 299 Cb 0.17 -2.94 -0.14 0.00 -1.58 0.00 0.00 42.46 37.97 3gvl s ILE 299 CO 0.77 0.38 1.43 -2.65 -1.23 0.00 0.00 174.94 173.65 3gvl n PRO 300 N 4.55 1.96 -0.44 2.79 -0.02 -1.26 -1.37 135.00 141.20 3gvl n PRO 300 Ca -0.17 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 3gvl n PRO 300 Cb 0.52 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 3gvl n PRO 300 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gvl n GLY 301 N 2.50 0.83 2.51 -1.23 0.00 -1.26 -4.99 105.19 103.55 3gvl n GLY 301 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 3gvl n GLY 301 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3gvl n GLN 302 N -2.00 1.51 -2.03 1.61 6.02 -0.47 -5.10 117.38 116.92 3gvl n GLN 302 Ca 0.00 -4.04 -0.41 0.00 -0.01 0.00 0.00 57.00 52.54 3gvl n GLN 302 Cb 0.00 -1.94 -0.02 0.00 1.02 0.00 0.00 30.24 29.29 3gvl n GLN 302 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3gvl s PRO 303 N -1.43 4.28 0.19 -1.09 0.04 -1.26 -4.43 135.00 131.29 3gvl s PRO 303 Ca 0.33 2.28 0.05 0.00 0.04 0.00 0.00 61.00 63.70 3gvl s PRO 303 Cb 0.08 -3.12 -0.05 0.00 0.04 0.00 0.00 34.50 31.45 3gvl s PRO 303 CO -0.11 -0.41 -0.08 -0.51 0.04 0.00 0.00 177.00 175.92 3gvl s LEU 304 N -0.32 2.45 0.08 -3.56 1.43 -0.76 -4.83 118.68 113.16 3gvl s LEU 304 Ca 0.59 -1.08 0.08 0.00 -1.03 0.00 0.00 54.13 52.70 3gvl s LEU 304 Cb -0.41 -0.41 -0.04 0.00 0.03 0.00 0.00 46.19 45.36 3gvl s LEU 304 CO 0.43 -0.35 -0.20 -0.31 0.23 0.00 0.00 176.35 176.15 3gvl s TYR 305 N -3.26 2.50 -0.06 0.29 1.51 -0.43 -1.60 117.35 116.29 3gvl s TYR 305 Ca 0.22 -0.29 -0.00 0.00 -1.01 0.00 0.00 57.07 55.98 3gvl s TYR 305 Cb 0.03 -1.39 0.03 0.00 -0.11 0.00 0.00 41.96 40.51 3gvl s TYR 305 CO 0.05 0.29 -0.02 0.71 -1.11 0.00 0.00 175.55 175.47 3gvl s TYR 306 N -1.00 0.70 -0.18 2.71 2.02 0.26 0.35 117.35 122.20 3gvl s TYR 306 Ca 0.15 -0.19 -0.13 0.00 -0.37 0.00 0.00 57.07 56.53 3gvl s TYR 306 Cb -0.10 -0.75 -0.05 0.00 -0.40 0.00 0.00 41.96 40.66 3gvl s TYR 306 CO 0.07 -0.28 0.27 0.00 -1.57 0.00 0.00 175.55 174.03 3gvl s ALA 307 N 1.58 3.60 0.94 3.71 0.00 -0.58 -0.74 121.76 130.28 3gvl s ALA 307 Ca -0.01 -0.56 -0.12 0.00 0.00 0.00 0.00 51.96 51.27 3gvl s ALA 307 Cb -0.13 -2.39 0.16 0.00 0.00 0.00 0.00 23.12 20.75 3gvl s ALA 307 CO -0.04 -0.01 1.13 -1.54 0.00 0.00 0.00 175.76 175.30 3gvl s SER 308 N 0.64 3.19 0.48 0.00 1.04 -0.36 -4.87 113.70 113.81 3gvl s SER 308 Ca 0.14 1.01 -0.24 0.00 0.48 0.00 0.00 55.95 57.34 3gvl s SER 308 Cb -0.13 -1.60 -0.08 0.00 0.10 0.00 0.00 66.02 64.31 3gvl s SER 308 CO 0.04 -2.75 1.27 -0.62 0.98 0.00 0.00 173.24 172.15 3gvl n GLU 309 N -3.90 1.77 -0.47 4.02 -0.58 -1.26 -2.85 120.64 117.37 3gvl n GLU 309 Ca 0.06 0.64 0.00 0.00 -0.42 0.00 0.00 57.16 57.44 3gvl n GLU 309 Cb 0.59 -2.42 0.00 0.00 -0.57 0.00 0.00 31.44 29.04 3gvl n GLU 309 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3gvl n GLU 310 N -0.36 0.00 -0.18 3.49 1.02 -1.26 -1.23 120.64 122.12 3gvl n GLU 310 Ca 0.08 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.14 3gvl n GLU 310 Cb 0.42 -2.61 0.01 0.00 -0.02 0.00 0.00 31.44 29.24 3gvl n GLU 310 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 3gvl h PHE 311 N 0.00 0.87 -3.25 -0.32 3.57 -1.82 -3.39 116.94 112.60 3gvl h PHE 311 Ca 0.00 -0.10 -0.67 0.00 3.53 0.00 0.00 57.97 60.73 3gvl h PHE 311 Cb 0.00 -0.25 -0.13 0.00 2.79 0.00 0.00 35.95 38.36 3gvl h PHE 311 CO 0.00 0.76 -0.61 0.08 -2.23 0.00 0.00 178.31 176.31 3gvl s VAL 312 N -5.32 4.42 -0.78 1.41 1.01 -1.26 -4.95 120.40 114.93 3gvl s VAL 312 Ca -0.13 -0.35 -0.25 0.00 0.00 0.00 0.00 61.98 61.26 3gvl s VAL 312 Cb 0.12 -2.93 0.05 0.00 0.00 0.00 0.00 36.38 33.62 3gvl s VAL 312 CO 0.80 0.49 1.21 -1.10 0.00 0.00 0.00 175.10 176.50 3gvl s GLN 313 N -1.24 3.26 0.18 2.72 -0.21 -1.26 -4.94 119.66 118.17 3gvl s GLN 313 Ca 0.17 -0.65 -0.24 0.00 0.02 0.00 0.00 55.36 54.66 3gvl s GLN 313 Cb -0.12 -4.44 0.05 0.00 1.00 0.00 0.00 33.01 29.51 3gvl s GLN 313 CO 0.07 -2.04 0.80 0.20 -2.12 0.00 0.00 175.29 172.20 3gvl s GLY 314 N 3.92 -0.27 -0.23 3.09 0.00 -1.26 -0.54 107.32 112.04 3gvl s GLY 314 Ca 0.33 0.12 -0.23 0.00 0.00 0.00 0.00 44.72 44.94 3gvl s GLY 314 CO 0.08 0.03 0.65 1.85 0.00 0.00 0.00 173.10 175.71 3gvl s GLU 315 N -3.58 0.78 -0.01 2.90 2.12 -0.45 -4.95 118.70 115.51 3gvl s GLU 315 Ca 0.09 0.84 -0.17 0.00 0.36 0.00 0.00 54.97 56.09 3gvl s GLU 315 Cb -0.03 0.38 -0.06 0.00 0.26 0.00 0.00 34.13 34.68 3gvl s GLU 315 CO 0.00 -0.11 0.48 -1.17 -0.54 0.00 0.00 175.26 173.93 3gvl s LEU 316 N 0.21 4.43 0.05 2.70 2.96 -1.26 -0.75 118.68 127.02 3gvl s LEU 316 Ca -0.01 1.02 0.09 0.00 -0.22 0.00 0.00 54.13 55.01 3gvl s LEU 316 Cb -0.04 -2.72 -0.03 0.00 0.50 0.00 0.00 46.19 43.90 3gvl s LEU 316 CO 0.02 0.21 -0.26 -0.36 -1.32 0.00 0.00 176.35 174.64 3gvl s PHE 317 N -0.58 2.35 -0.13 5.38 0.08 0.22 -4.98 117.98 120.32 3gvl s PHE 317 Ca 0.26 -0.40 -0.18 0.00 0.12 0.00 0.00 56.93 56.73 3gvl s PHE 317 Cb -0.17 -1.39 -0.04 0.00 -0.57 0.00 0.00 43.02 40.85 3gvl s PHE 317 CO 0.14 0.15 0.49 0.21 -0.10 0.00 0.00 175.22 176.12 3gvl s LYS 318 N -1.30 4.32 -0.00 0.44 2.20 -1.26 -0.48 119.74 123.66 3gvl s LYS 318 Ca 0.12 0.46 0.01 0.00 -0.36 0.00 0.00 55.97 56.20 3gvl s LYS 318 Cb -0.10 -3.45 -0.01 0.00 -1.51 0.00 0.00 37.83 32.75 3gvl s LYS 318 CO 0.03 0.11 0.02 0.44 -0.36 0.00 0.00 175.35 175.59 3gvl n ILE 319 N 3.80 0.00 -4.31 5.43 -5.35 0.46 -4.93 119.36 114.45 3gvl n ILE 319 Ca -0.06 -0.15 -0.20 0.00 -0.27 0.00 0.00 62.75 62.07 3gvl n ILE 319 Cb 0.51 0.62 -0.11 0.00 -1.74 0.00 0.00 39.64 38.93 3gvl n ILE 319 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3gvl s THR 320 N -1.78 1.67 -0.47 7.28 -4.23 -1.04 -4.82 115.64 112.24 3gvl s THR 320 Ca -0.00 -1.93 0.06 0.00 -1.18 0.00 0.00 61.69 58.64 3gvl s THR 320 Cb 0.01 -1.81 0.20 0.00 1.34 0.00 0.00 72.50 72.24 3gvl s THR 320 CO 0.03 -0.41 0.65 -0.67 -0.54 0.00 0.00 174.62 173.68 3gvl n ASP 321 N 0.20 -2.19 -4.14 3.99 2.03 -1.26 -4.27 116.55 110.91 3gvl n ASP 321 Ca -0.13 -2.85 -0.17 0.00 0.52 0.00 0.00 54.79 52.17 3gvl n ASP 321 Cb 0.58 0.93 -0.12 0.00 -0.72 0.00 0.00 41.12 41.79 3gvl n ASP 321 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 3gvl s THR 322 N 0.39 0.96 -0.54 5.18 2.01 -1.26 -5.05 115.64 117.32 3gvl s THR 322 Ca 0.32 -1.25 0.25 0.00 0.31 0.00 0.00 61.69 61.31 3gvl s THR 322 Cb 0.08 -0.95 0.26 0.00 0.01 0.00 0.00 72.50 71.90 3gvl s THR 322 CO -0.14 -0.27 1.74 -2.65 -0.69 0.00 0.00 174.62 172.61 3gvl n PRO 323 N 1.32 0.22 -0.95 4.92 -0.02 -1.26 -4.76 135.00 134.47 3gvl n PRO 323 Ca -0.22 0.37 -0.31 0.00 -2.02 0.00 0.00 63.50 61.32 3gvl n PRO 323 Cb 0.54 -1.86 0.14 0.00 -0.02 0.00 0.00 33.50 32.30 3gvl n PRO 323 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3gvl s TYR 324 N -3.26 2.04 -0.74 6.00 1.51 -1.26 -0.80 117.35 120.84 3gvl s TYR 324 Ca 0.06 1.65 -0.26 0.00 -1.01 0.00 0.00 57.07 57.51 3gvl s TYR 324 Cb 0.10 -3.20 0.01 0.00 -0.11 0.00 0.00 41.96 38.75 3gvl s TYR 324 CO 0.46 -2.41 1.57 -0.47 -1.11 0.00 0.00 175.55 173.58 3gvl s TYR 325 N -2.76 2.04 -0.37 2.71 6.04 0.79 -4.46 117.35 121.34 3gvl s TYR 325 Ca 0.64 0.23 -0.13 0.00 0.04 0.00 0.00 57.07 57.85 3gvl s TYR 325 Cb -0.20 -4.39 0.01 0.00 -1.04 0.00 0.00 41.96 36.34 3gvl s TYR 325 CO 0.57 -2.12 0.25 -0.80 -1.54 0.00 0.00 175.55 171.91 3gvl s ASN 326 N 5.82 5.93 0.16 4.32 0.01 -0.89 -1.32 114.94 128.97 3gvl s ASN 326 Ca 0.51 -0.78 -0.05 0.00 -0.71 0.00 0.00 52.86 51.82 3gvl s ASN 326 Cb -0.09 -2.10 0.02 0.00 0.41 0.00 0.00 41.25 39.49 3gvl s ASN 326 CO 0.13 -0.36 0.30 0.00 -1.51 0.00 0.00 177.10 175.66 3gvl n ALA 327 N 5.08 -0.63 -3.54 0.60 0.00 -0.97 -2.87 120.51 118.19 3gvl n ALA 327 Ca -0.12 -0.53 -0.23 0.00 0.00 0.00 0.00 53.44 52.56 3gvl n ALA 327 Cb 0.48 0.42 0.05 0.00 0.00 0.00 0.00 19.45 20.40 3gvl n ALA 327 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 3gvl n TRP 328 N -0.22 -2.09 0.30 0.00 8.01 -1.26 -1.82 117.44 120.36 3gvl n TRP 328 Ca -0.03 0.69 0.17 0.00 -1.31 0.00 0.00 57.50 57.02 3gvl n TRP 328 Cb 0.24 -3.93 0.98 0.00 -2.01 0.00 0.00 31.31 26.58 3gvl n TRP 328 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.69 175.33 3gvl h PRO 329 N -1.63 0.00 -6.29 -0.99 0.11 -1.70 -3.34 132.00 118.17 3gvl h PRO 329 Ca -0.63 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 64.80 3gvl h PRO 329 Cb 1.34 0.00 0.05 0.00 0.11 0.00 0.00 31.00 32.51 3gvl h PRO 329 CO 0.49 0.00 0.49 0.00 -0.21 0.00 0.00 178.00 178.77 3gvl n GLN 330 N -3.68 1.23 -3.87 1.05 10.64 -0.61 -1.09 117.38 121.05 3gvl n GLN 330 Ca -0.03 0.44 -0.29 0.00 -1.83 0.00 0.00 57.00 55.29 3gvl n GLN 330 Cb 0.09 -2.10 -0.13 0.00 -0.86 0.00 0.00 30.24 27.24 3gvl n GLN 330 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 3gvl s ASP 331 N 0.58 4.27 0.00 2.61 2.15 -0.22 -4.46 116.67 121.61 3gvl s ASP 331 Ca 0.84 -3.28 0.00 0.00 0.43 0.00 0.00 52.55 50.55 3gvl s ASP 331 Cb -0.93 -1.49 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 3gvl s ASP 331 CO 0.46 -0.18 0.00 0.29 -0.17 0.00 0.00 175.17 175.58 3gvl n LYS 332 N 2.73 5.29 -2.12 4.34 5.02 -0.25 -3.79 118.16 129.38 3gvl n LYS 332 Ca 0.12 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 56.05 3gvl n LYS 332 Cb 0.34 -0.43 0.01 0.00 -0.02 0.00 0.00 35.03 34.94 3gvl n LYS 332 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3gvl s ALA 333 N -0.85 2.71 0.20 7.82 0.00 -1.26 -4.59 121.76 125.79 3gvl s ALA 333 Ca 0.00 0.96 -0.20 0.00 0.00 0.00 0.00 51.96 52.72 3gvl s ALA 333 Cb 0.00 -3.42 0.04 0.00 0.00 0.00 0.00 23.12 19.74 3gvl s ALA 333 CO 0.00 -0.95 0.59 -0.59 0.00 0.00 0.00 175.76 174.82 3gvl s PHE 334 N -1.61 -0.30 -0.10 0.00 -0.71 -1.05 -4.88 117.98 109.34 3gvl s PHE 334 Ca 0.72 -0.02 0.01 0.00 -1.04 0.00 0.00 56.93 56.61 3gvl s PHE 334 Cb -0.29 0.53 -0.02 0.00 -1.21 0.00 0.00 43.02 42.03 3gvl s PHE 334 CO 0.33 -0.96 -0.14 0.08 -1.34 0.00 0.00 175.22 173.18 3gvl s VAL 335 N -3.84 3.00 -0.04 -2.49 1.01 -1.26 -0.68 120.40 116.10 3gvl s VAL 335 Ca 0.06 -0.71 -0.02 0.00 0.00 0.00 0.00 61.98 61.32 3gvl s VAL 335 Cb -0.02 -2.22 0.03 0.00 0.00 0.00 0.00 36.38 34.17 3gvl s VAL 335 CO -0.05 0.55 0.06 -0.47 0.00 0.00 0.00 175.10 175.19 3gvl s TYR 336 N -0.03 0.04 -1.14 5.22 5.04 -0.62 -4.93 117.35 120.93 3gvl s TYR 336 Ca -0.03 0.25 -0.28 0.00 -2.44 0.00 0.00 57.07 54.57 3gvl s TYR 336 Cb -0.14 -0.42 0.03 0.00 0.35 0.00 0.00 41.96 41.78 3gvl s TYR 336 CO 0.04 -0.17 0.69 0.39 -1.34 0.00 0.00 175.55 175.15 3gvl n GLU 337 N 5.09 -0.57 -0.60 4.97 1.02 -1.26 -1.82 120.64 127.47 3gvl n GLU 337 Ca -0.08 0.24 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 3gvl n GLU 337 Cb 0.50 -2.74 0.00 0.00 -0.02 0.00 0.00 31.44 29.18 3gvl n GLU 337 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3gvl n ASN 338 N -2.29 0.00 -4.68 1.62 4.13 -1.26 -5.00 115.26 107.78 3gvl n ASN 338 Ca -0.14 0.00 -0.35 0.00 1.68 0.00 0.00 54.58 55.77 3gvl n ASN 338 Cb 0.58 -0.82 -0.09 0.00 -1.54 0.00 0.00 39.78 37.91 3gvl n ASN 338 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3gvl s VAL 339 N -2.73 4.79 -0.20 2.41 1.01 -0.75 -4.80 120.40 120.13 3gvl s VAL 339 Ca 0.00 -0.04 -0.17 0.00 0.00 0.00 0.00 61.98 61.76 3gvl s VAL 339 Cb 0.00 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 3gvl s VAL 339 CO 0.00 0.52 0.46 -0.63 0.00 0.00 0.00 175.10 175.45 3gvl s ILE 340 N -0.13 5.15 -0.18 2.22 1.01 -0.84 -1.59 121.20 126.84 3gvl s ILE 340 Ca 0.07 0.83 -0.06 0.00 0.00 0.00 0.00 60.65 61.49 3gvl s ILE 340 Cb -0.12 -3.79 -0.03 0.00 0.01 0.00 0.00 42.46 38.53 3gvl s ILE 340 CO 0.01 0.21 0.02 -0.31 0.00 0.00 0.00 174.94 174.87 3gvl s TYR 341 N 1.52 3.14 -0.73 3.97 1.51 0.14 -0.92 117.35 125.99 3gvl s TYR 341 Ca 0.21 -0.13 0.04 0.00 -1.01 0.00 0.00 57.07 56.19 3gvl s TYR 341 Cb -0.15 -2.05 0.17 0.00 -0.11 0.00 0.00 41.96 39.82 3gvl s TYR 341 CO 0.09 0.02 0.53 0.00 -1.11 0.00 0.00 175.55 175.08 3gvl s ALA 342 N 0.51 3.87 0.57 3.71 0.00 0.00 -2.52 121.76 127.91 3gvl s ALA 342 Ca 0.01 -3.82 -0.17 0.00 0.00 0.00 0.00 51.96 47.97 3gvl s ALA 342 Cb -0.13 -2.27 -0.05 0.00 0.00 0.00 0.00 23.12 20.67 3gvl s ALA 342 CO 0.02 -2.10 1.08 -2.14 0.00 0.00 0.00 175.76 172.61 3gvl s PRO 343 N -1.39 3.34 0.25 0.00 0.02 -1.26 -2.31 135.00 133.65 3gvl s PRO 343 Ca 0.25 1.36 -0.10 0.00 0.02 0.00 0.00 61.00 62.53 3gvl s PRO 343 Cb -0.06 -2.03 0.04 0.00 0.02 0.00 0.00 34.50 32.48 3gvl s PRO 343 CO -0.15 -0.81 0.55 2.48 -0.33 0.00 0.00 177.00 178.73 3gvl n TYR 344 N -1.70 -1.82 -5.05 6.54 0.18 0.33 -4.14 117.16 111.50 3gvl n TYR 344 Ca 0.10 -1.20 -0.32 0.00 1.88 0.00 0.00 57.90 58.36 3gvl n TYR 344 Cb 0.52 0.60 -0.17 0.00 -0.38 0.00 0.00 39.34 39.91 3gvl n TYR 344 CO 0.00 0.00 0.00 -1.64 -2.08 0.00 0.00 176.86 173.14 3gvl s MET 345 N -2.06 3.09 -0.34 -3.48 -1.94 -0.76 -0.88 119.30 112.93 3gvl s MET 345 Ca 0.11 -0.85 -0.08 0.00 -1.71 0.00 0.00 55.69 53.16 3gvl s MET 345 Cb -0.03 -2.38 0.03 0.00 2.01 0.00 0.00 34.83 34.46 3gvl s MET 345 CO 0.07 0.14 0.14 0.20 -0.01 0.00 0.00 175.02 175.57 3gvl s GLY 346 N 0.44 1.87 0.00 -0.03 0.00 -0.75 -2.29 107.32 106.56 3gvl s GLY 346 Ca -0.15 -1.67 0.00 0.00 0.00 0.00 0.00 44.72 42.90 3gvl s GLY 346 CO 0.06 0.78 0.00 -1.14 0.00 0.00 0.00 173.10 172.80 3gvl n SER 347 N 4.90 0.67 -0.14 1.64 3.41 -0.44 -1.36 113.62 122.30 3gvl n SER 347 Ca -0.13 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.50 3gvl n SER 347 Cb 0.46 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.43 3gvl n SER 347 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3gvl n ASP 348 N 0.00 1.59 -3.65 4.04 5.68 -1.03 -0.15 116.55 123.03 3gvl n ASP 348 Ca 0.00 -1.42 0.00 0.00 -0.50 0.00 0.00 54.79 52.87 3gvl n ASP 348 Cb 0.00 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 39.96 3gvl n ASP 348 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3gvl s ARG 349 N -0.51 0.64 -0.97 0.11 1.70 -1.26 -4.84 118.95 113.81 3gvl s ARG 349 Ca 0.05 -0.38 -0.24 0.00 -0.47 0.00 0.00 55.73 54.69 3gvl s ARG 349 Cb 0.03 0.20 -0.02 0.00 -0.57 0.00 0.00 34.95 34.59 3gvl s ARG 349 CO 0.04 -0.29 1.79 -1.58 -1.08 0.00 0.00 175.30 174.18 3gvl s HIS 350 N -2.43 2.07 -4.09 5.89 5.65 -1.26 -4.68 115.29 116.44 3gvl s HIS 350 Ca 0.18 0.10 0.00 0.00 0.25 0.00 0.00 55.06 55.59 3gvl s HIS 350 Cb 0.02 -4.26 0.00 0.00 -1.18 0.00 0.00 32.58 27.16 3gvl s HIS 350 CO -0.01 -1.76 0.00 0.41 -0.65 0.00 0.00 174.74 172.73 3gvl n GLY 351 N 6.73 -2.36 1.04 1.59 0.00 -1.26 -5.01 105.19 105.92 3gvl n GLY 351 Ca 0.39 -1.25 0.12 0.00 0.00 0.00 0.00 46.02 45.28 3gvl n GLY 351 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3gvl n VAL 352 N 0.88 0.30 -1.71 1.61 0.24 -1.26 -4.77 118.33 113.62 3gvl n VAL 352 Ca 0.00 -0.63 -0.43 0.00 -2.04 0.00 0.00 64.34 61.24 3gvl n VAL 352 Cb 0.00 1.12 -0.03 0.00 -1.47 0.00 0.00 33.84 33.46 3gvl n VAL 352 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 3gvl n SER 353 N 1.36 3.53 -1.04 -1.34 2.88 -1.26 -2.19 113.62 115.55 3gvl n SER 353 Ca 0.17 1.10 -0.13 0.00 -1.33 0.00 0.00 58.87 58.69 3gvl n SER 353 Cb 0.59 -1.52 -0.05 0.00 -0.75 0.00 0.00 64.21 62.47 3gvl n SER 353 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3gvl n ARG 354 N 3.01 -1.61 -2.83 -1.46 1.74 -1.26 -2.47 116.66 111.77 3gvl n ARG 354 Ca 0.13 0.90 -0.41 0.00 -0.77 0.00 0.00 57.85 57.71 3gvl n ARG 354 Cb 0.33 -5.24 -0.04 0.00 -1.02 0.00 0.00 32.46 26.49 3gvl n ARG 354 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3gvl s LEU 355 N -3.03 4.41 -0.12 0.55 0.20 -0.93 -4.48 118.68 115.28 3gvl s LEU 355 Ca 0.00 1.57 0.03 0.00 0.69 0.00 0.00 54.13 56.42 3gvl s LEU 355 Cb 0.00 -3.42 0.01 0.00 -0.43 0.00 0.00 46.19 42.35 3gvl s LEU 355 CO 0.00 -0.12 -0.21 -1.00 -0.29 0.00 0.00 176.35 174.73 3gvl s HIS 356 N 0.45 2.46 0.14 5.38 3.76 -0.47 -4.66 115.29 122.36 3gvl s HIS 356 Ca 0.45 -1.13 -0.31 0.00 -0.15 0.00 0.00 55.06 53.92 3gvl s HIS 356 Cb -0.21 -1.68 -0.10 0.00 1.11 0.00 0.00 32.58 31.70 3gvl s HIS 356 CO 0.26 -0.50 1.65 0.08 -0.85 0.00 0.00 174.74 175.37 3gvl s VAL 357 N 0.65 2.64 0.18 -0.90 1.01 -1.26 -1.81 120.40 120.90 3gvl s VAL 357 Ca -0.12 0.34 0.01 0.00 0.00 0.00 0.00 61.98 62.21 3gvl s VAL 357 Cb -0.16 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 3gvl s VAL 357 CO 0.03 0.01 0.04 -0.44 0.00 0.00 0.00 175.10 174.74 3gvl s SER 358 N 1.72 0.86 0.06 3.32 0.01 -0.06 0.06 113.70 119.68 3gvl s SER 358 Ca 0.73 -1.23 -0.07 0.00 1.31 0.00 0.00 55.95 56.69 3gvl s SER 358 Cb -0.44 0.20 -0.01 0.00 0.21 0.00 0.00 66.02 65.98 3gvl s SER 358 CO 0.32 -0.66 0.14 -1.66 0.41 0.00 0.00 173.24 171.79 3gvl s TRP 359 N -3.83 0.20 0.24 2.43 -2.14 -0.47 -0.51 118.94 114.86 3gvl s TRP 359 Ca 0.27 -0.58 0.11 0.00 2.66 0.00 0.00 56.10 58.57 3gvl s TRP 359 Cb 0.07 -0.12 -0.05 0.00 -3.10 0.00 0.00 33.47 30.27 3gvl s TRP 359 CO 0.05 -0.46 -0.18 0.14 -2.66 0.00 0.00 176.95 173.85 3gvl s VAL 360 N -3.34 2.63 0.08 -0.66 -7.23 -0.98 -1.45 120.40 109.46 3gvl s VAL 360 Ca 0.01 -2.14 0.04 0.00 -1.81 0.00 0.00 61.98 58.08 3gvl s VAL 360 Cb 0.03 -2.34 -0.03 0.00 0.56 0.00 0.00 36.38 34.60 3gvl s VAL 360 CO -0.08 -0.27 -0.11 -0.54 -0.31 0.00 0.00 175.10 173.79 3gvl s LYS 361 N -3.17 0.80 -0.11 4.82 1.02 -1.26 -0.82 119.74 121.02 3gvl s LYS 361 Ca 0.26 -1.05 0.03 0.00 0.02 0.00 0.00 55.97 55.23 3gvl s LYS 361 Cb -0.07 -0.57 0.01 0.00 -0.52 0.00 0.00 37.83 36.68 3gvl s LYS 361 CO 0.14 0.10 -0.22 0.45 -0.92 0.00 0.00 175.35 174.90 3gvl s SER 362 N -2.16 2.93 -0.03 2.83 0.15 -0.09 -0.45 113.70 116.87 3gvl s SER 362 Ca 0.01 -0.54 0.19 0.00 0.70 0.00 0.00 55.95 56.31 3gvl s SER 362 Cb -0.06 -1.34 0.59 0.00 -1.71 0.00 0.00 66.02 63.50 3gvl s SER 362 CO 0.01 0.11 1.50 0.61 1.20 0.00 0.00 173.24 176.67 3gvl n GLY 363 N 3.77 2.68 2.43 9.45 0.00 -1.26 -1.99 105.19 120.26 3gvl n GLY 363 Ca -0.20 -0.73 -0.03 0.00 0.00 0.00 0.00 46.02 45.07 3gvl n GLY 363 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gvl n ASP 364 N 1.21 1.96 -2.54 1.61 5.68 -1.26 -4.97 116.55 118.24 3gvl n ASP 364 Ca 0.22 -2.33 -0.20 0.00 -0.50 0.00 0.00 54.79 51.99 3gvl n ASP 364 Cb 0.65 -0.43 0.02 0.00 -1.14 0.00 0.00 41.12 40.22 3gvl n ASP 364 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3gvl n ASP 365 N -0.46 -5.61 0.00 -1.12 8.00 -1.26 -3.16 116.55 112.94 3gvl n ASP 365 Ca 0.13 -0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.44 3gvl n ASP 365 Cb 0.88 -4.51 0.00 0.00 -0.02 0.00 0.00 41.12 37.47 3gvl n ASP 365 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gvl n GLY 366 N -1.32 0.72 0.20 0.44 0.00 -1.26 -4.96 105.19 99.01 3gvl n GLY 366 Ca -0.14 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.71 3gvl n GLY 366 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3gvl h GLN 367 N 4.03 0.64 -4.36 1.61 4.20 -1.96 -3.46 115.11 115.81 3gvl h GLN 367 Ca 0.00 -0.60 -0.18 0.00 0.06 0.00 0.00 58.65 57.93 3gvl h GLN 367 Cb 0.00 0.15 -0.17 0.00 0.30 0.00 0.00 27.48 27.76 3gvl h GLN 367 CO 0.00 1.21 -0.70 0.95 -0.67 0.00 0.00 178.83 179.63 3gvl s THR 368 N -3.51 0.39 0.13 -0.54 -4.23 -1.26 -5.07 115.64 101.54 3gvl s THR 368 Ca -0.09 -1.60 0.06 0.00 -1.18 0.00 0.00 61.69 58.89 3gvl s THR 368 Cb 0.08 -1.23 -0.04 0.00 1.34 0.00 0.00 72.50 72.65 3gvl s THR 368 CO 0.89 -0.80 -0.14 0.26 -0.54 0.00 0.00 174.62 174.30 3gvl s TRP 369 N -3.08 1.41 0.73 3.99 0.52 -1.26 -4.19 118.94 117.06 3gvl s TRP 369 Ca 0.02 -0.58 -0.11 0.00 0.02 0.00 0.00 56.10 55.46 3gvl s TRP 369 Cb 0.02 -0.73 0.04 0.00 -1.15 0.00 0.00 33.47 31.65 3gvl s TRP 369 CO -0.06 0.15 1.10 -1.54 0.02 0.00 0.00 176.95 176.63 3gvl s SER 370 N -2.59 5.06 0.28 2.95 1.04 0.40 -4.93 113.70 115.91 3gvl s SER 370 Ca 0.11 0.89 -0.30 0.00 0.48 0.00 0.00 55.95 57.13 3gvl s SER 370 Cb -0.04 -1.59 -0.11 0.00 0.10 0.00 0.00 66.02 64.38 3gvl s SER 370 CO 0.03 -1.54 1.54 -0.89 0.98 0.00 0.00 173.24 173.36 3gvl s THR 371 N -3.39 2.26 0.36 2.02 2.01 -1.26 -4.59 115.64 113.04 3gvl s THR 371 Ca 0.59 0.22 -0.27 0.00 0.31 0.00 0.00 61.69 62.54 3gvl s THR 371 Cb -0.11 -3.14 -0.12 0.00 0.01 0.00 0.00 72.50 69.14 3gvl s THR 371 CO 0.49 0.04 1.27 -2.65 -0.69 0.00 0.00 174.62 173.08 3gvl n PRO 372 N 2.23 2.06 -4.85 4.92 -0.02 -1.26 -4.84 135.00 133.24 3gvl n PRO 372 Ca 0.08 0.72 -0.33 0.00 -2.02 0.00 0.00 63.50 61.95 3gvl n PRO 372 Cb 0.38 -2.32 -0.14 0.00 -0.02 0.00 0.00 33.50 31.40 3gvl n PRO 372 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3gvl s GLU 373 N -1.93 3.12 -0.16 -0.52 2.12 -0.53 -4.98 118.70 115.82 3gvl s GLU 373 Ca 0.57 -0.71 -0.27 0.00 0.36 0.00 0.00 54.97 54.91 3gvl s GLU 373 Cb -0.56 -2.53 -0.01 0.00 0.26 0.00 0.00 34.13 31.29 3gvl s GLU 373 CO 0.61 0.32 0.93 -1.58 -0.54 0.00 0.00 175.26 175.00 3gvl s TRP 374 N 0.06 3.43 -0.11 5.30 0.51 -1.26 -1.37 118.94 125.50 3gvl s TRP 374 Ca -0.06 1.40 0.16 0.00 -2.12 0.00 0.00 56.10 55.49 3gvl s TRP 374 Cb -0.15 -3.12 -0.19 0.00 -0.81 0.00 0.00 33.47 29.21 3gvl s TRP 374 CO 0.05 -0.29 0.67 1.28 -0.51 0.00 0.00 176.95 178.15 3gvl n LEU 375 N 5.40 0.71 -4.30 2.99 4.77 0.11 -4.91 117.00 121.76 3gvl n LEU 375 Ca 0.07 0.32 -0.26 0.00 -0.03 0.00 0.00 56.01 56.12 3gvl n LEU 375 Cb 0.48 0.15 -0.13 0.00 -2.33 0.00 0.00 43.42 41.59 3gvl n LEU 375 CO 0.50 0.25 -0.53 0.42 -1.33 0.00 0.00 177.39 176.70 3gvl s THR 376 N -2.81 1.84 0.66 -5.08 -4.23 -1.15 -4.99 115.64 99.88 3gvl s THR 376 Ca -0.05 -1.52 -0.02 0.00 -1.18 0.00 0.00 61.69 58.93 3gvl s THR 376 Cb 0.08 -1.64 0.08 0.00 1.34 0.00 0.00 72.50 72.37 3gvl s THR 376 CO 0.82 0.04 0.93 -0.62 -0.54 0.00 0.00 174.62 175.25 3gvl s ASP 377 N -1.77 4.73 0.30 3.99 2.15 -1.26 -4.52 116.67 120.29 3gvl s ASP 377 Ca 0.08 -0.07 -0.30 0.00 0.43 0.00 0.00 52.55 52.70 3gvl s ASP 377 Cb -0.10 -0.54 -0.11 0.00 -0.30 0.00 0.00 42.92 41.87 3gvl s ASP 377 CO 0.04 -1.58 1.55 -0.76 -0.17 0.00 0.00 175.17 174.25 3gvl s LEU 378 N -5.04 4.35 0.44 -1.34 1.43 -1.26 -4.80 118.68 112.46 3gvl s LEU 378 Ca 0.62 2.92 -0.24 0.00 -1.03 0.00 0.00 54.13 56.41 3gvl s LEU 378 Cb -0.08 -3.64 -0.10 0.00 0.03 0.00 0.00 46.19 42.40 3gvl s LEU 378 CO 0.42 -0.87 1.08 1.57 0.23 0.00 0.00 176.35 178.78 3gvl n HIS 379 N 1.84 1.39 0.04 0.29 -0.00 -1.26 -4.87 115.22 112.65 3gvl n HIS 379 Ca 0.06 0.53 0.21 0.00 -0.00 0.00 0.00 57.72 58.52 3gvl n HIS 379 Cb 0.38 -2.26 0.73 0.00 -0.00 0.00 0.00 29.99 28.84 3gvl n HIS 379 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3gvl h PRO 380 N 1.54 0.00 -0.63 1.57 0.11 -1.92 -1.06 132.00 131.61 3gvl h PRO 380 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3gvl h PRO 380 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 3gvl h PRO 380 CO 0.57 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.11 3gvl n ASP 381 N -4.09 5.07 -4.75 -2.05 8.00 -1.26 -4.95 116.55 112.52 3gvl n ASP 381 Ca 0.09 -2.63 -0.41 0.00 0.71 0.00 0.00 54.79 52.55 3gvl n ASP 381 Cb 0.61 -0.62 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 3gvl n ASP 381 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gvl n TYR 382 N 0.91 2.73 -0.52 1.24 9.36 -0.40 -1.25 117.16 129.22 3gvl n TYR 382 Ca 0.26 0.48 0.01 0.00 3.32 0.00 0.00 57.90 61.97 3gvl n TYR 382 Cb 1.00 -2.49 0.29 0.00 -0.63 0.00 0.00 39.34 37.51 3gvl n TYR 382 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3gvl n PRO 383 N 0.38 3.69 0.01 2.98 -0.04 -1.26 -4.92 135.00 135.83 3gvl n PRO 383 Ca 0.03 -2.44 -0.18 0.00 -0.04 0.00 0.00 63.50 60.87 3gvl n PRO 383 Cb 0.38 -2.07 -0.12 0.00 -0.04 0.00 0.00 33.50 31.65 3gvl n PRO 383 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3gvl h THR 384 N 2.70 1.48 -3.93 0.52 2.02 -1.58 -3.41 112.91 110.70 3gvl h THR 384 Ca 0.09 -2.17 -0.22 0.00 0.77 0.00 0.00 66.41 64.88 3gvl h THR 384 Cb 1.81 2.79 -0.15 0.00 -1.74 0.00 0.00 68.15 70.86 3gvl h THR 384 CO 0.47 0.62 -0.68 0.68 0.37 0.00 0.00 175.52 176.98 3gvl s VAL 385 N -2.98 0.56 0.27 3.16 -7.23 -1.20 -1.81 120.40 111.16 3gvl s VAL 385 Ca -0.14 -1.93 -0.14 0.00 -1.81 0.00 0.00 61.98 57.96 3gvl s VAL 385 Cb 0.02 -1.80 0.00 0.00 0.56 0.00 0.00 36.38 35.16 3gvl s VAL 385 CO 0.81 -0.75 0.54 0.21 -0.31 0.00 0.00 175.10 175.59 3gvl s ASN 386 N -3.06 -0.07 0.76 4.85 2.47 -0.31 -3.27 114.94 116.32 3gvl s ASN 386 Ca 0.15 -0.90 -0.12 0.00 0.42 0.00 0.00 52.86 52.41 3gvl s ASN 386 Cb 0.06 0.63 0.05 0.00 -1.45 0.00 0.00 41.25 40.54 3gvl s ASN 386 CO -0.03 -1.22 1.11 -0.31 -3.72 0.00 0.00 177.10 172.93 3gvl s TYR 387 N -3.87 3.07 -0.19 0.43 2.02 -1.26 -0.90 117.35 116.66 3gvl s TYR 387 Ca 0.20 1.04 -0.28 0.00 -0.37 0.00 0.00 57.07 57.67 3gvl s TYR 387 Cb -0.02 -3.15 0.09 0.00 -0.40 0.00 0.00 41.96 38.48 3gvl s TYR 387 CO 0.09 -1.51 0.82 -1.58 -1.57 0.00 0.00 175.55 171.81 3gvl s HIS 388 N -3.31 -0.61 -0.23 2.71 5.65 -0.50 -4.83 115.29 114.17 3gvl s HIS 388 Ca 0.60 1.32 -0.12 0.00 0.25 0.00 0.00 55.06 57.10 3gvl s HIS 388 Cb -0.12 0.36 0.08 0.00 -1.18 0.00 0.00 32.58 31.71 3gvl s HIS 388 CO 0.52 -0.41 0.55 0.00 -0.65 0.00 0.00 174.74 174.75 3gvl n MET 390 N 4.54 1.71 -3.78 0.00 2.81 -1.25 -4.86 117.12 116.28 3gvl n MET 390 Ca -0.19 -1.12 -0.21 0.00 -1.81 0.00 0.00 57.70 54.37 3gvl n MET 390 Cb 0.55 -0.80 -0.17 0.00 -0.71 0.00 0.00 33.22 32.09 3gvl n MET 390 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3gvl s SER 391 N -0.65 1.19 -0.20 7.83 0.15 -1.26 -1.05 113.70 119.71 3gvl s SER 391 Ca 0.01 -0.02 -0.27 0.00 0.70 0.00 0.00 55.95 56.37 3gvl s SER 391 Cb 0.01 -0.30 0.08 0.00 -1.71 0.00 0.00 66.02 64.09 3gvl s SER 391 CO 0.00 -0.19 0.74 -0.32 1.20 0.00 0.00 173.24 174.68 3gvl s MET 392 N 1.82 0.87 -0.01 5.44 1.75 -1.26 -1.58 119.30 126.33 3gvl s MET 392 Ca 0.02 0.71 -0.05 0.00 -1.25 0.00 0.00 55.69 55.12 3gvl s MET 392 Cb -0.12 0.42 0.02 0.00 2.84 0.00 0.00 34.83 37.98 3gvl s MET 392 CO -0.04 -0.17 0.21 0.41 -0.65 0.00 0.00 175.02 174.79 3gvl n GLY 393 N 2.04 0.52 3.21 2.11 0.00 -0.54 -4.57 105.19 107.97 3gvl n GLY 393 Ca -0.15 -0.86 -0.30 0.00 0.00 0.00 0.00 46.02 44.71 3gvl n GLY 393 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gvl s VAL 394 N -2.10 1.85 -0.05 1.61 1.01 -1.26 -0.75 120.40 120.71 3gvl s VAL 394 Ca 0.05 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.09 3gvl s VAL 394 Cb -0.00 -1.58 0.03 0.00 0.00 0.00 0.00 36.38 34.82 3gvl s VAL 394 CO -0.00 0.52 -0.01 0.00 0.00 0.00 0.00 175.10 175.60 3gvl n ARG 396 N 4.39 -0.72 -1.12 0.00 0.63 -1.26 -1.70 116.66 116.87 3gvl n ARG 396 Ca -0.20 0.10 -0.04 0.00 -0.92 0.00 0.00 57.85 56.78 3gvl n ARG 396 Cb 0.50 -3.14 -0.02 0.00 0.45 0.00 0.00 32.46 30.26 3gvl n ARG 396 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3gvl n ASN 397 N -2.55 -4.08 -4.24 6.15 4.13 -1.26 -4.17 115.26 109.24 3gvl n ASN 397 Ca -0.22 0.11 -0.29 0.00 1.68 0.00 0.00 54.58 55.85 3gvl n ASN 397 Cb 0.63 -1.96 -0.16 0.00 -1.54 0.00 0.00 39.78 36.75 3gvl n ASN 397 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 3gvl s ARG 398 N -1.78 2.00 0.05 3.52 0.52 -0.69 -1.08 118.95 121.49 3gvl s ARG 398 Ca 0.00 -0.81 -0.30 0.00 -0.52 0.00 0.00 55.73 54.10 3gvl s ARG 398 Cb 0.00 -1.84 -0.05 0.00 0.52 0.00 0.00 34.95 33.58 3gvl s ARG 398 CO 0.00 0.43 1.13 -1.17 0.02 0.00 0.00 175.30 175.71 3gvl s LEU 399 N -0.36 4.38 -0.04 2.53 2.96 0.54 -1.36 118.68 127.33 3gvl s LEU 399 Ca 0.04 1.92 0.07 0.00 -0.22 0.00 0.00 54.13 55.94 3gvl s LEU 399 Cb -0.10 -3.58 -0.02 0.00 0.50 0.00 0.00 46.19 42.99 3gvl s LEU 399 CO 0.01 -0.39 -0.24 -0.36 -1.32 0.00 0.00 176.35 174.05 3gvl s PHE 400 N 0.93 2.41 -0.08 5.38 0.08 0.07 -1.50 117.98 125.28 3gvl s PHE 400 Ca 0.56 -0.48 -0.07 0.00 0.12 0.00 0.00 56.93 57.07 3gvl s PHE 400 Cb -0.27 -1.55 0.03 0.00 -0.57 0.00 0.00 43.02 40.66 3gvl s PHE 400 CO 0.29 -0.06 0.22 0.00 -0.10 0.00 0.00 175.22 175.57 3gvl s ALA 401 N -0.50 -0.51 -0.65 5.36 0.00 0.07 -1.46 121.76 124.07 3gvl s ALA 401 Ca 0.06 0.70 -0.24 0.00 0.00 0.00 0.00 51.96 52.49 3gvl s ALA 401 Cb -0.11 -0.42 0.06 0.00 0.00 0.00 0.00 23.12 22.64 3gvl s ALA 401 CO 0.00 -0.13 1.01 1.41 0.00 0.00 0.00 175.76 178.06 3gvl s MET 402 N 0.46 3.17 -0.42 0.00 1.75 -0.61 -0.71 119.30 122.94 3gvl s MET 402 Ca -0.03 -0.61 -0.20 0.00 -1.25 0.00 0.00 55.69 53.60 3gvl s MET 402 Cb -0.04 -4.18 0.02 0.00 2.84 0.00 0.00 34.83 33.47 3gvl s MET 402 CO -0.02 -1.79 0.63 0.42 -0.65 0.00 0.00 175.02 173.60 3gvl s ILE 403 N 4.30 4.85 0.18 10.11 -1.09 0.56 -4.43 121.20 135.69 3gvl s ILE 403 Ca 0.26 0.16 -0.05 0.00 -2.23 0.00 0.00 60.65 58.79 3gvl s ILE 403 Cb -0.14 -4.17 -0.06 0.00 -1.58 0.00 0.00 42.46 36.51 3gvl s ILE 403 CO 0.13 -0.54 0.42 -1.61 -1.23 0.00 0.00 174.94 172.12 3gvl s GLU 404 N 2.76 3.64 -0.16 2.79 2.02 0.27 -1.49 118.70 128.53 3gvl s GLU 404 Ca 0.22 -0.04 -0.03 0.00 0.02 0.00 0.00 54.97 55.14 3gvl s GLU 404 Cb -0.14 -2.79 -0.02 0.00 0.10 0.00 0.00 34.13 31.27 3gvl s GLU 404 CO 0.18 0.41 -0.04 0.99 0.02 0.00 0.00 175.26 176.82 3gvl s THR 405 N -1.75 3.78 0.07 3.63 2.01 -0.07 -1.41 115.64 121.91 3gvl s THR 405 Ca 0.42 -0.39 0.03 0.00 0.31 0.00 0.00 61.69 62.06 3gvl s THR 405 Cb -0.12 -2.66 -0.03 0.00 0.01 0.00 0.00 72.50 69.70 3gvl s THR 405 CO 0.25 0.49 -0.10 -0.13 -0.69 0.00 0.00 174.62 174.44 3gvl s ARG 406 N 0.46 0.73 0.34 4.92 0.52 -0.07 -0.59 118.95 125.25 3gvl s ARG 406 Ca -0.04 -0.99 -0.27 0.00 -0.52 0.00 0.00 55.73 53.91 3gvl s ARG 406 Cb -0.14 -0.48 -0.09 0.00 0.52 0.00 0.00 34.95 34.75 3gvl s ARG 406 CO 0.03 0.08 1.09 0.95 0.02 0.00 0.00 175.30 177.47 3gvl s THR 407 N -1.94 3.53 0.23 0.02 -4.23 -0.28 -1.16 115.64 111.82 3gvl s THR 407 Ca -0.01 1.37 -0.04 0.00 -1.18 0.00 0.00 61.69 61.83 3gvl s THR 407 Cb -0.06 -3.81 0.09 0.00 1.34 0.00 0.00 72.50 70.06 3gvl s THR 407 CO 0.00 0.20 1.71 -0.07 -0.54 0.00 0.00 174.62 175.92 3gvl h LEU 408 N 3.19 0.82 -0.34 4.79 4.07 -1.59 -0.16 115.31 126.08 3gvl h LEU 408 Ca -0.47 -0.23 0.02 0.00 0.08 0.00 0.00 57.88 57.28 3gvl h LEU 408 Cb 1.22 -0.22 -0.03 0.00 1.08 0.00 0.00 40.66 42.71 3gvl h LEU 408 CO 0.65 0.92 0.19 0.00 -1.08 0.00 0.00 178.44 179.11 3gvl h ALA 409 N 1.17 0.43 0.00 1.53 0.00 -1.88 -3.37 119.26 117.14 3gvl h ALA 409 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3gvl h ALA 409 Cb 0.54 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3gvl h ALA 409 CO 0.03 -0.18 0.00 1.63 0.00 0.00 0.00 179.25 180.73 3gvl n LYS 410 N -4.92 0.02 -3.15 0.00 5.02 -1.24 -5.01 118.16 108.88 3gvl n LYS 410 Ca 0.00 -0.40 -0.23 0.00 -2.02 0.00 0.00 58.31 55.66 3gvl n LYS 410 Cb 0.07 -0.71 0.03 0.00 -0.02 0.00 0.00 35.03 34.39 3gvl n LYS 410 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3gvl n ASN 411 N -0.06 -5.50 -4.75 4.39 5.15 -0.07 -4.97 115.26 109.46 3gvl n ASN 411 Ca 0.00 -0.33 -0.39 0.00 -0.60 0.00 0.00 54.58 53.26 3gvl n ASN 411 Cb 0.21 -4.45 -0.05 0.00 -0.53 0.00 0.00 39.78 34.95 3gvl n ASN 411 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3gvl s ALA 412 N -3.12 3.44 0.12 5.20 0.00 -1.26 -4.72 121.76 121.42 3gvl s ALA 412 Ca 0.35 0.07 -0.31 0.00 0.00 0.00 0.00 51.96 52.07 3gvl s ALA 412 Cb -0.16 -2.82 -0.08 0.00 0.00 0.00 0.00 23.12 20.06 3gvl s ALA 412 CO 0.43 0.09 1.44 -1.17 0.00 0.00 0.00 175.76 176.55 3gvl s LEU 413 N 0.08 4.37 -0.00 0.00 2.96 -1.26 -1.13 118.68 123.70 3gvl s LEU 413 Ca 0.33 2.39 0.01 0.00 -0.22 0.00 0.00 54.13 56.64 3gvl s LEU 413 Cb -0.18 -3.59 -0.01 0.00 0.50 0.00 0.00 46.19 42.91 3gvl s LEU 413 CO 0.18 -0.70 0.02 0.35 -1.32 0.00 0.00 176.35 174.88 3gvl n THR 414 N 3.99 0.00 -3.58 3.68 -2.24 0.24 -4.96 114.28 111.42 3gvl n THR 414 Ca 0.12 -0.02 -0.15 0.00 -2.27 0.00 0.00 64.05 61.73 3gvl n THR 414 Cb 0.41 0.42 -0.06 0.00 -2.10 0.00 0.00 70.33 69.00 3gvl n THR 414 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3gvl s ASN 415 N -2.15 -0.66 -0.09 3.42 3.84 -1.15 -4.30 114.94 113.85 3gvl s ASN 415 Ca -0.00 1.02 0.04 0.00 0.21 0.00 0.00 52.86 54.13 3gvl s ASN 415 Cb 0.01 0.94 -0.00 0.00 -0.55 0.00 0.00 41.25 41.65 3gvl s ASN 415 CO 0.04 -0.41 -0.24 0.00 -2.79 0.00 0.00 177.10 173.70 3gvl s ALA 417 N 0.28 0.65 -0.30 0.00 0.00 -0.55 -0.65 121.76 121.18 3gvl s ALA 417 Ca -0.17 -0.30 -0.21 0.00 0.00 0.00 0.00 51.96 51.28 3gvl s ALA 417 Cb -0.17 -0.20 -0.01 0.00 0.00 0.00 0.00 23.12 22.74 3gvl s ALA 417 CO 0.08 0.14 0.66 -1.17 0.00 0.00 0.00 175.76 175.48 3gvl s LEU 418 N -0.05 4.12 -0.09 0.00 2.96 -0.25 -0.32 118.68 125.05 3gvl s LEU 418 Ca 0.01 0.51 -0.01 0.00 -0.22 0.00 0.00 54.13 54.42 3gvl s LEU 418 Cb -0.04 -2.88 -0.03 0.00 0.50 0.00 0.00 46.19 43.74 3gvl s LEU 418 CO -0.00 -0.50 -0.03 0.26 -1.32 0.00 0.00 176.35 174.77 3gvl s TRP 419 N 2.67 3.07 0.04 5.38 0.52 0.12 -0.59 118.94 130.15 3gvl s TRP 419 Ca 0.27 0.06 -0.06 0.00 0.02 0.00 0.00 56.10 56.40 3gvl s TRP 419 Cb -0.15 -1.79 -0.01 0.00 -1.15 0.00 0.00 33.47 30.37 3gvl s TRP 419 CO 0.11 0.35 0.10 0.16 0.02 0.00 0.00 176.95 177.69 3gvl s ASP 420 N -0.66 0.19 -0.24 2.95 1.47 -0.23 -0.75 116.67 119.41 3gvl s ASP 420 Ca 0.10 -0.58 -0.24 0.00 1.18 0.00 0.00 52.55 53.01 3gvl s ASP 420 Cb -0.12 0.24 0.07 0.00 -0.34 0.00 0.00 42.92 42.77 3gvl s ASP 420 CO 0.02 -0.54 0.67 -0.60 0.68 0.00 0.00 175.17 175.40 3gvl s ARG 421 N -2.87 0.81 0.37 2.11 3.52 -0.56 -0.20 118.95 122.13 3gvl s ARG 421 Ca -0.03 0.88 -0.27 0.00 -0.13 0.00 0.00 55.73 56.18 3gvl s ARG 421 Cb 0.00 0.39 -0.09 0.00 -1.56 0.00 0.00 34.95 33.69 3gvl s ARG 421 CO -0.06 -0.11 1.29 -1.25 -0.81 0.00 0.00 175.30 174.36 3gvl s PRO 422 N 0.23 4.17 0.35 5.12 0.04 -1.26 -0.34 135.00 143.31 3gvl s PRO 422 Ca -0.01 2.16 -0.25 0.00 0.04 0.00 0.00 61.00 62.93 3gvl s PRO 422 Cb -0.04 -2.91 -0.10 0.00 0.04 0.00 0.00 34.50 31.49 3gvl s PRO 422 CO 0.02 -0.32 0.98 -1.64 0.04 0.00 0.00 177.00 176.08 3gvl s MET 423 N -2.02 4.45 0.18 4.56 -1.94 -0.24 -3.22 119.30 121.06 3gvl s MET 423 Ca 0.53 1.40 -0.30 0.00 -1.71 0.00 0.00 55.69 55.60 3gvl s MET 423 Cb -0.38 -2.71 -0.09 0.00 2.01 0.00 0.00 34.83 33.66 3gvl s MET 423 CO 0.50 0.14 1.34 -1.12 -0.01 0.00 0.00 175.02 175.87 3gvl s SER 424 N -1.59 6.86 0.00 3.03 0.01 -1.26 -4.51 113.70 116.24 3gvl s SER 424 Ca 0.53 2.40 -0.13 0.00 1.31 0.00 0.00 55.95 60.06 3gvl s SER 424 Cb -0.20 -2.60 0.02 0.00 0.21 0.00 0.00 66.02 63.44 3gvl s SER 424 CO 0.25 -0.57 0.27 -0.13 0.41 0.00 0.00 173.24 173.47 3gvl s ARG 425 N 0.18 0.66 -0.14 12.44 0.52 -1.22 -4.96 118.95 126.43 3gvl s ARG 425 Ca 0.59 -0.31 -0.01 0.00 -0.52 0.00 0.00 55.73 55.48 3gvl s ARG 425 Cb -0.37 0.29 -0.02 0.00 0.52 0.00 0.00 34.95 35.37 3gvl s ARG 425 CO 0.37 -0.18 -0.09 -1.54 0.02 0.00 0.00 175.30 173.87 3gvl s SER 426 N -1.50 4.33 -0.09 0.23 1.04 -1.26 -1.63 113.70 114.82 3gvl s SER 426 Ca -0.12 -0.24 0.04 0.00 0.48 0.00 0.00 55.95 56.11 3gvl s SER 426 Cb -0.05 -1.64 -0.01 0.00 0.10 0.00 0.00 66.02 64.42 3gvl s SER 426 CO 0.02 0.18 -0.21 -0.76 0.98 0.00 0.00 173.24 173.45 3gvl s LEU 427 N 0.28 2.28 -0.36 2.42 1.43 0.12 -4.99 118.68 119.87 3gvl s LEU 427 Ca -0.07 -0.46 -0.03 0.00 -1.03 0.00 0.00 54.13 52.53 3gvl s LEU 427 Cb -0.15 -1.46 0.08 0.00 0.03 0.00 0.00 46.19 44.69 3gvl s LEU 427 CO 0.04 0.20 0.12 -1.00 0.23 0.00 0.00 176.35 175.94 3gvl s HIS 428 N 0.14 3.42 0.23 0.29 3.76 -1.26 -1.12 115.29 120.74 3gvl s HIS 428 Ca -0.11 -2.05 0.10 0.00 -0.15 0.00 0.00 55.06 52.85 3gvl s HIS 428 Cb -0.16 -2.67 -0.05 0.00 1.11 0.00 0.00 32.58 30.81 3gvl s HIS 428 CO 0.06 -0.87 -0.18 -0.51 -0.85 0.00 0.00 174.74 172.39 3gvl s LEU 429 N 1.23 2.55 -0.15 0.89 1.43 -0.27 -4.97 118.68 119.38 3gvl s LEU 429 Ca 0.02 -0.99 0.00 0.00 -1.03 0.00 0.00 54.13 52.13 3gvl s LEU 429 Cb -0.21 -0.91 0.02 0.00 0.03 0.00 0.00 46.19 45.12 3gvl s LEU 429 CO -0.02 -0.04 -0.15 -0.89 0.23 0.00 0.00 176.35 175.48 3gvl s THR 430 N -2.55 1.66 0.08 5.49 2.01 -1.26 -0.45 115.64 120.61 3gvl s THR 430 Ca 0.25 -0.69 0.00 0.00 0.31 0.00 0.00 61.69 61.56 3gvl s THR 430 Cb -0.04 -1.54 0.00 0.00 0.01 0.00 0.00 72.50 70.93 3gvl s THR 430 CO 0.10 0.47 0.00 0.61 -0.69 0.00 0.00 174.62 175.12 3gvl n GLY 431 N 4.73 -1.71 0.00 4.40 0.00 -0.34 -4.71 105.19 107.56 3gvl n GLY 431 Ca -0.18 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.60 3gvl n GLY 431 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gvl n GLY 432 N -1.21 0.48 3.43 -0.02 0.00 -1.26 -4.91 105.19 101.71 3gvl n GLY 432 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3gvl n GLY 432 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gvl s ILE 433 N -2.00 3.97 0.06 -0.61 1.01 -1.26 -0.78 121.20 121.59 3gvl s ILE 433 Ca 0.00 -0.30 0.07 0.00 0.00 0.00 0.00 60.65 60.42 3gvl s ILE 433 Cb 0.00 -2.81 -0.03 0.00 0.01 0.00 0.00 42.46 39.63 3gvl s ILE 433 CO 0.00 0.40 -0.19 0.42 0.00 0.00 0.00 174.94 175.58 3gvl s THR 434 N 1.22 1.50 -0.19 2.92 -4.23 -0.72 -1.65 115.64 114.49 3gvl s THR 434 Ca 0.03 -1.23 -0.04 0.00 -1.18 0.00 0.00 61.69 59.27 3gvl s THR 434 Cb -0.15 -1.34 0.08 0.00 1.34 0.00 0.00 72.50 72.44 3gvl s THR 434 CO 0.01 0.07 0.17 -0.75 -0.54 0.00 0.00 174.62 173.58 3gvl s LYS 435 N -1.36 0.13 0.43 3.99 2.20 -0.25 -0.79 119.74 124.10 3gvl s LYS 435 Ca 0.05 0.10 -0.25 0.00 -0.36 0.00 0.00 55.97 55.51 3gvl s LYS 435 Cb -0.09 -1.42 -0.08 0.00 -1.51 0.00 0.00 37.83 34.73 3gvl s LYS 435 CO 0.02 -0.65 1.28 0.00 -0.36 0.00 0.00 175.35 175.64 3gvl s ALA 436 N 2.25 3.17 0.60 3.13 0.00 -1.26 -0.86 121.76 128.78 3gvl s ALA 436 Ca 0.05 1.19 -0.19 0.00 0.00 0.00 0.00 51.96 53.00 3gvl s ALA 436 Cb -0.16 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.45 3gvl s ALA 436 CO -0.11 -0.84 1.18 0.00 0.00 0.00 0.00 175.76 175.99 3gvl n ALA 437 N -0.08 0.88 -2.00 0.00 0.00 -1.26 -3.55 120.51 114.50 3gvl n ALA 437 Ca 0.05 0.05 -0.16 0.00 0.00 0.00 0.00 53.44 53.37 3gvl n ALA 437 Cb 0.44 -2.25 -0.03 0.00 0.00 0.00 0.00 19.45 17.62 3gvl n ALA 437 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3gvl n ASN 438 N -1.16 -4.85 -3.90 0.00 3.02 0.59 -4.97 115.26 104.00 3gvl n ASN 438 Ca 0.13 0.13 -0.09 0.00 -0.03 0.00 0.00 54.58 54.73 3gvl n ASN 438 Cb 0.46 -3.89 -0.04 0.00 -0.61 0.00 0.00 39.78 35.70 3gvl n ASN 438 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gvl s GLN 439 N -4.28 1.58 0.00 3.52 1.03 -1.23 -5.00 119.66 115.27 3gvl s GLN 439 Ca 0.00 -1.09 0.15 0.00 0.04 0.00 0.00 55.36 54.47 3gvl s GLN 439 Cb 0.00 0.52 -0.00 0.00 0.03 0.00 0.00 33.01 33.56 3gvl s GLN 439 CO 0.00 -0.68 0.83 0.54 -2.54 0.00 0.00 175.29 173.44 3gvl n ARG 440 N -0.39 1.71 -3.50 9.60 1.74 -1.26 -4.55 116.66 120.01 3gvl n ARG 440 Ca -0.04 -0.80 -0.34 0.00 -0.77 0.00 0.00 57.85 55.89 3gvl n ARG 440 Cb 0.61 -1.25 -0.05 0.00 -1.02 0.00 0.00 32.46 30.75 3gvl n ARG 440 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3gvl s TYR 441 N -1.81 3.55 0.00 -1.55 1.51 -1.26 -0.96 117.35 116.84 3gvl s TYR 441 Ca 0.13 0.85 0.08 0.00 -1.01 0.00 0.00 57.07 57.12 3gvl s TYR 441 Cb 0.12 -2.21 -0.02 0.00 -0.11 0.00 0.00 41.96 39.74 3gvl s TYR 441 CO 0.38 0.45 -0.24 0.00 -1.11 0.00 0.00 175.55 175.03 3gvl s ALA 442 N -1.50 2.00 -0.19 3.71 0.00 -0.48 -4.29 121.76 121.01 3gvl s ALA 442 Ca 0.37 -1.08 -0.12 0.00 0.00 0.00 0.00 51.96 51.13 3gvl s ALA 442 Cb -0.14 -0.48 -0.05 0.00 0.00 0.00 0.00 23.12 22.46 3gvl s ALA 442 CO 0.19 0.48 0.23 0.99 0.00 0.00 0.00 175.76 177.66 3gvl s THR 443 N -0.64 5.34 -0.23 0.00 2.01 0.03 -1.44 115.64 120.71 3gvl s THR 443 Ca 0.09 0.40 -0.03 0.00 0.31 0.00 0.00 61.69 62.47 3gvl s THR 443 Cb -0.09 -3.57 0.01 0.00 0.01 0.00 0.00 72.50 68.85 3gvl s THR 443 CO 0.00 0.38 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.62 3gvl s ILE 444 N 0.62 3.08 -0.44 1.82 -1.09 0.80 -1.75 121.20 124.25 3gvl s ILE 444 Ca 0.13 -0.75 -0.20 0.00 -2.23 0.00 0.00 60.65 57.60 3gvl s ILE 444 Cb -0.13 -2.46 0.02 0.00 -1.58 0.00 0.00 42.46 38.32 3gvl s ILE 444 CO 0.03 0.33 0.62 -2.28 -1.23 0.00 0.00 174.94 172.41 3gvl s HIS 445 N 1.40 3.07 -0.26 3.97 5.65 0.04 -1.78 115.29 127.39 3gvl s HIS 445 Ca 0.04 -0.11 -0.04 0.00 0.25 0.00 0.00 55.06 55.20 3gvl s HIS 445 Cb -0.15 -3.31 0.09 0.00 -1.18 0.00 0.00 32.58 28.03 3gvl s HIS 445 CO -0.04 -0.86 0.11 0.08 -0.65 0.00 0.00 174.74 173.38 3gvl s VAL 446 N 2.75 0.07 0.29 0.89 1.01 -0.12 -4.80 120.40 120.48 3gvl s VAL 446 Ca 0.21 -0.69 -0.30 0.00 0.00 0.00 0.00 61.98 61.21 3gvl s VAL 446 Cb -0.15 -0.97 -0.13 0.00 0.00 0.00 0.00 36.38 35.13 3gvl s VAL 446 CO 0.18 -0.60 1.34 -2.65 0.00 0.00 0.00 175.10 173.38 3gvl n PRO 447 N 5.20 2.06 -3.95 2.72 -0.02 -1.25 -2.74 135.00 137.02 3gvl n PRO 447 Ca -0.06 0.73 -0.29 0.00 -2.02 0.00 0.00 63.50 61.86 3gvl n PRO 447 Cb 0.44 -2.34 0.01 0.00 -0.02 0.00 0.00 33.50 31.58 3gvl n PRO 447 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3gvl n ASP 448 N 1.52 -2.98 0.11 2.55 8.00 -1.04 -4.86 116.55 119.85 3gvl n ASP 448 Ca 0.08 -0.88 0.03 0.00 0.71 0.00 0.00 54.79 54.74 3gvl n ASP 448 Cb 0.34 -3.53 0.42 0.00 -0.02 0.00 0.00 41.12 38.33 3gvl n ASP 448 CO 0.00 0.00 0.00 1.12 -0.39 0.00 0.00 177.20 177.93 3gvl h HIS 449 N -1.88 0.27 -0.34 1.24 2.07 -1.31 -3.44 115.15 111.75 3gvl h HIS 449 Ca -0.60 -0.02 -0.15 0.00 -2.85 0.00 0.00 60.37 56.75 3gvl h HIS 449 Cb 1.37 -0.08 -0.06 0.00 2.57 0.00 0.00 27.41 31.22 3gvl h HIS 449 CO 0.55 0.33 -0.13 0.41 -3.07 0.00 0.00 177.93 176.01 3gvl n GLY 450 N -1.04 0.89 3.91 6.13 0.00 -1.26 -4.87 105.19 108.95 3gvl n GLY 450 Ca -0.00 -0.34 -0.30 0.00 0.00 0.00 0.00 46.02 45.38 3gvl n GLY 450 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gvl s LEU 451 N -1.65 4.22 0.31 0.99 1.43 -1.26 -4.77 118.68 117.95 3gvl s LEU 451 Ca 0.00 0.56 0.10 0.00 -1.03 0.00 0.00 54.13 53.76 3gvl s LEU 451 Cb 0.00 -3.31 -0.05 0.00 0.03 0.00 0.00 46.19 42.86 3gvl s LEU 451 CO 0.00 -0.01 -0.07 -0.36 0.23 0.00 0.00 176.35 176.13 3gvl s PHE 452 N -1.78 2.48 0.15 0.29 0.08 -1.26 -4.97 117.98 112.96 3gvl s PHE 452 Ca 0.41 -0.36 -0.34 0.00 0.12 0.00 0.00 56.93 56.75 3gvl s PHE 452 Cb -0.12 -1.25 -0.16 0.00 -0.57 0.00 0.00 43.02 40.93 3gvl s PHE 452 CO 0.27 0.60 1.31 0.28 -0.10 0.00 0.00 175.22 177.58 3gvl n VAL 453 N -0.81 0.46 0.00 -0.44 0.31 -1.26 -1.22 118.33 115.37 3gvl n VAL 453 Ca -0.05 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 3gvl n VAL 453 Cb 0.61 -1.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.54 3gvl n VAL 453 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gvl n GLY 454 N 2.40 2.22 3.78 2.92 0.00 0.02 -4.96 105.19 111.56 3gvl n GLY 454 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 3gvl n GLY 454 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gvl s ASP 455 N -1.61 5.60 0.22 1.61 1.01 -0.35 -4.66 116.67 118.48 3gvl s ASP 455 Ca 0.00 2.06 -0.30 0.00 0.71 0.00 0.00 52.55 55.02 3gvl s ASP 455 Cb 0.00 -2.56 -0.08 0.00 1.01 0.00 0.00 42.92 41.28 3gvl s ASP 455 CO 0.00 -1.30 1.13 0.12 0.21 0.00 0.00 175.17 175.33 3gvl s PHE 456 N -2.04 3.54 -0.04 4.23 5.36 -1.26 -1.25 117.98 126.51 3gvl s PHE 456 Ca 0.69 1.59 -0.02 0.00 -0.96 0.00 0.00 56.93 58.23 3gvl s PHE 456 Cb -0.21 -3.32 0.03 0.00 -0.34 0.00 0.00 43.02 39.18 3gvl s PHE 456 CO 0.32 -0.75 0.09 0.14 -1.46 0.00 0.00 175.22 173.57 3gvl s VAL 457 N -0.52 -0.04 -0.03 3.12 -7.23 -0.56 -4.08 120.40 111.06 3gvl s VAL 457 Ca 0.48 0.14 0.06 0.00 -1.81 0.00 0.00 61.98 60.85 3gvl s VAL 457 Cb -0.31 -0.16 -0.02 0.00 0.56 0.00 0.00 36.38 36.44 3gvl s VAL 457 CO 0.38 0.06 -0.19 0.21 -0.31 0.00 0.00 175.10 175.24 3gvl s ASN 458 N 0.84 3.60 -0.02 4.85 3.84 0.10 -0.02 114.94 128.13 3gvl s ASN 458 Ca -0.07 -0.32 0.06 0.00 0.21 0.00 0.00 52.86 52.74 3gvl s ASN 458 Cb -0.09 -0.62 -0.01 0.00 -0.55 0.00 0.00 41.25 39.98 3gvl s ASN 458 CO -0.03 0.33 -0.19 -0.36 -2.79 0.00 0.00 177.10 174.06 3gvl s PHE 459 N -0.69 1.70 -0.00 0.43 0.08 -0.54 -1.46 117.98 117.49 3gvl s PHE 459 Ca 0.11 -0.34 0.01 0.00 0.12 0.00 0.00 56.93 56.83 3gvl s PHE 459 Cb -0.10 -1.10 0.00 0.00 -0.57 0.00 0.00 43.02 41.25 3gvl s PHE 459 CO 0.00 -0.04 -0.02 -1.12 -0.10 0.00 0.00 175.22 173.94 3gvl s SER 460 N -0.41 0.28 -1.66 1.36 0.01 -0.30 -0.87 113.70 112.11 3gvl s SER 460 Ca 0.06 -0.04 -0.02 0.00 1.31 0.00 0.00 55.95 57.27 3gvl s SER 460 Cb -0.08 -0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.11 3gvl s SER 460 CO -0.00 0.01 0.24 0.59 0.41 0.00 0.00 173.24 174.49 3gvl n ASN 461 N 3.16 -5.88 0.23 2.44 3.02 -1.26 -1.28 115.26 115.68 3gvl n ASN 461 Ca -0.14 -0.12 0.07 0.00 -0.03 0.00 0.00 54.58 54.37 3gvl n ASN 461 Cb 0.58 -4.84 0.56 0.00 -0.61 0.00 0.00 39.78 35.46 3gvl n ASN 461 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 3gvl h SER 462 N -0.54 0.00 -2.42 6.41 4.64 -1.88 -3.39 113.55 116.36 3gvl h SER 462 Ca -0.50 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.43 3gvl h SER 462 Cb 1.36 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.38 3gvl h SER 462 CO 0.57 0.20 -0.44 0.00 -0.87 0.00 0.00 176.83 176.29 3gvl n ALA 463 N -2.41 -0.52 -3.85 5.18 0.00 -1.26 -4.78 120.51 112.87 3gvl n ALA 463 Ca -0.02 0.21 -0.28 0.00 0.00 0.00 0.00 53.44 53.35 3gvl n ALA 463 Cb 0.28 -2.00 -0.16 0.00 0.00 0.00 0.00 19.45 17.57 3gvl n ALA 463 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3gvl s VAL 464 N -2.83 1.01 -0.01 0.00 1.01 -1.26 -4.80 120.40 113.52 3gvl s VAL 464 Ca 0.00 -0.77 -0.38 0.00 0.00 0.00 0.00 61.98 60.83 3gvl s VAL 464 Cb 0.00 -1.33 -0.17 0.00 0.00 0.00 0.00 36.38 34.88 3gvl s VAL 464 CO 0.00 -0.06 1.42 0.41 0.00 0.00 0.00 175.10 176.86 3gvl n THR 465 N 4.88 0.07 0.00 3.92 -1.04 -1.26 -1.31 114.28 119.54 3gvl n THR 465 Ca -0.11 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 3gvl n THR 465 Cb 0.46 -0.85 0.00 0.00 -1.82 0.00 0.00 70.33 68.12 3gvl n THR 465 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3gvl n GLY 466 N 2.84 2.39 3.38 3.41 0.00 -1.26 -4.94 105.19 111.01 3gvl n GLY 466 Ca 0.20 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.77 3gvl n GLY 466 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gvl s VAL 467 N -2.38 5.11 -0.28 1.61 1.01 -0.43 -4.48 120.40 120.56 3gvl s VAL 467 Ca 0.00 -1.77 -0.23 0.00 0.00 0.00 0.00 61.98 59.99 3gvl s VAL 467 Cb 0.00 -4.57 0.13 0.00 0.00 0.00 0.00 36.38 31.94 3gvl s VAL 467 CO 0.00 -1.20 1.02 -0.55 0.00 0.00 0.00 175.10 174.37 3gvl s SER 468 N 3.06 -0.47 0.40 3.32 0.15 -1.26 -4.47 113.70 114.43 3gvl s SER 468 Ca 0.20 0.86 0.00 0.00 0.70 0.00 0.00 55.95 57.71 3gvl s SER 468 Cb -0.13 0.95 0.00 0.00 -1.71 0.00 0.00 66.02 65.14 3gvl s SER 468 CO -0.05 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.86 3gvl n GLY 469 N 2.60 -0.38 3.68 9.45 0.00 -0.05 -4.74 105.19 115.75 3gvl n GLY 469 Ca -0.14 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.38 3gvl n GLY 469 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gvl s ASP 470 N -4.00 7.05 0.31 1.61 1.01 -1.26 -1.47 116.67 119.92 3gvl s ASP 470 Ca 0.00 1.74 0.06 0.00 0.71 0.00 0.00 52.55 55.06 3gvl s ASP 470 Cb 0.00 -2.55 -0.02 0.00 1.01 0.00 0.00 42.92 41.35 3gvl s ASP 470 CO 0.00 -0.61 0.22 0.23 0.21 0.00 0.00 175.17 175.21 3gvl n MET 471 N 5.54 0.43 -4.17 8.23 2.81 0.97 -5.00 117.12 125.93 3gvl n MET 471 Ca 0.11 -2.98 -0.16 0.00 -1.81 0.00 0.00 57.70 52.86 3gvl n MET 471 Cb 0.46 2.22 -0.11 0.00 -0.71 0.00 0.00 33.22 35.08 3gvl n MET 471 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 3gvl s THR 472 N -3.12 1.01 -0.05 2.03 2.01 -1.26 -1.49 115.64 114.76 3gvl s THR 472 Ca 0.31 -1.42 -0.30 0.00 0.31 0.00 0.00 61.69 60.59 3gvl s THR 472 Cb 0.02 -1.14 -0.05 0.00 0.01 0.00 0.00 72.50 71.33 3gvl s THR 472 CO 0.22 -0.36 1.48 -0.69 -0.69 0.00 0.00 174.62 174.57 3gvl s VAL 473 N -1.72 3.76 -0.10 3.82 1.01 -0.38 -4.47 120.40 122.32 3gvl s VAL 473 Ca 0.00 1.02 -0.14 0.00 0.00 0.00 0.00 61.98 62.87 3gvl s VAL 473 Cb -0.07 -3.66 -0.27 0.00 0.00 0.00 0.00 36.38 32.38 3gvl s VAL 473 CO 0.01 -0.05 0.52 0.00 0.00 0.00 0.00 175.10 175.58 3gvl h ALA 474 N 8.57 0.22 -2.55 5.51 0.00 -1.09 0.09 119.26 130.01 3gvl h ALA 474 Ca -0.36 -1.16 -0.11 0.00 0.00 0.00 0.00 54.91 53.28 3gvl h ALA 474 Cb 1.16 0.53 -0.17 0.00 0.00 0.00 0.00 17.79 19.31 3gvl h ALA 474 CO 0.94 0.94 -0.46 0.95 0.00 0.00 0.00 179.25 181.62 3gvl s THR 475 N -2.50 0.13 -0.23 0.00 -4.23 -1.17 -4.85 115.64 102.78 3gvl s THR 475 Ca -0.20 -1.07 -0.02 0.00 -1.18 0.00 0.00 61.69 59.21 3gvl s THR 475 Cb 0.05 -1.01 0.01 0.00 1.34 0.00 0.00 72.50 72.89 3gvl s THR 475 CO 0.77 -0.59 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.50 3gvl s VAL 476 N -2.88 3.01 -0.10 2.29 1.01 -1.26 -1.12 120.40 121.35 3gvl s VAL 476 Ca -0.03 -0.79 -0.27 0.00 0.00 0.00 0.00 61.98 60.89 3gvl s VAL 476 Cb 0.00 -2.44 -0.26 0.00 0.00 0.00 0.00 36.38 33.68 3gvl s VAL 476 CO -0.06 0.32 0.87 0.40 0.00 0.00 0.00 175.10 176.63 3gvl h ILE 477 N 5.93 1.69 -2.34 2.22 2.04 -1.45 -3.49 117.51 122.12 3gvl h ILE 477 Ca -0.38 -2.23 -0.00 0.00 1.00 0.00 0.00 64.86 63.25 3gvl h ILE 477 Cb 1.13 3.18 0.00 0.00 -0.74 0.00 0.00 36.82 40.40 3gvl h ILE 477 CO 0.60 0.59 0.13 -0.90 0.00 0.00 0.00 178.15 178.57 3gvl n ASP 478 N -4.53 -0.90 0.19 1.72 5.68 -1.02 -4.99 116.55 112.69 3gvl n ASP 478 Ca -0.10 -1.61 0.14 0.00 -0.50 0.00 0.00 54.79 52.72 3gvl n ASP 478 Cb 0.52 1.50 0.66 0.00 -1.14 0.00 0.00 41.12 42.66 3gvl n ASP 478 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 3gvl h LYS 479 N 0.00 0.00 -0.01 0.11 2.10 -1.96 -2.74 116.57 114.07 3gvl h LYS 479 Ca -0.13 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.52 3gvl h LYS 479 Cb 0.50 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.83 3gvl h LYS 479 CO 0.17 0.00 -0.10 -0.25 -2.00 0.00 0.00 179.45 177.27 3gvl n ASP 480 N -2.45 1.27 -3.80 7.07 8.00 -1.26 -2.49 116.55 122.90 3gvl n ASP 480 Ca -0.00 -1.14 -0.13 0.00 0.71 0.00 0.00 54.79 54.23 3gvl n ASP 480 Cb 0.12 0.29 -0.13 0.00 -0.02 0.00 0.00 41.12 41.39 3gvl n ASP 480 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3gvl s ASN 481 N -0.95 -0.19 0.20 -2.24 -0.87 -1.03 -0.94 114.94 108.91 3gvl s ASN 481 Ca 0.07 0.37 -0.05 0.00 -1.57 0.00 0.00 52.86 51.69 3gvl s ASN 481 Cb 0.06 0.35 -0.03 0.00 -0.02 0.00 0.00 41.25 41.62 3gvl s ASN 481 CO 0.15 -0.08 0.21 0.72 -2.57 0.00 0.00 177.10 175.54 3gvl s PHE 482 N 0.28 0.85 0.22 2.20 -0.71 -0.74 -1.08 117.98 119.02 3gvl s PHE 482 Ca -0.02 -1.14 0.11 0.00 -1.04 0.00 0.00 56.93 54.84 3gvl s PHE 482 Cb -0.03 -0.33 -0.05 0.00 -1.21 0.00 0.00 43.02 41.41 3gvl s PHE 482 CO -0.01 -0.71 -0.21 0.95 -1.34 0.00 0.00 175.22 173.90 3gvl s THR 483 N -4.09 2.29 0.10 -4.49 -4.23 -0.28 -0.14 115.64 104.80 3gvl s THR 483 Ca 0.31 -2.16 0.08 0.00 -1.18 0.00 0.00 61.69 58.73 3gvl s THR 483 Cb 0.05 -2.14 -0.03 0.00 1.34 0.00 0.00 72.50 71.71 3gvl s THR 483 CO 0.09 -0.27 -0.19 0.68 -0.54 0.00 0.00 174.62 174.38 3gvl s VAL 484 N -2.09 1.61 -0.31 2.29 -7.23 -0.52 -0.41 120.40 113.73 3gvl s VAL 484 Ca 0.23 -1.55 -0.19 0.00 -1.81 0.00 0.00 61.98 58.66 3gvl s VAL 484 Cb -0.06 -1.50 -0.01 0.00 0.56 0.00 0.00 36.38 35.37 3gvl s VAL 484 CO 0.11 -0.13 0.59 -0.22 -0.31 0.00 0.00 175.10 175.14 3gvl s LEU 485 N -1.98 4.18 0.55 1.32 2.96 -1.26 -1.38 118.68 123.07 3gvl s LEU 485 Ca 0.06 0.32 -0.04 0.00 -0.22 0.00 0.00 54.13 54.25 3gvl s LEU 485 Cb -0.09 -2.74 0.01 0.00 0.50 0.00 0.00 46.19 43.86 3gvl s LEU 485 CO 0.04 -0.46 0.83 0.42 -1.32 0.00 0.00 176.35 175.86 3gvl s THR 486 N 2.54 3.72 -2.11 3.68 -4.23 -0.13 -4.95 115.64 114.15 3gvl s THR 486 Ca 0.23 -0.17 0.21 0.00 -1.18 0.00 0.00 61.69 60.79 3gvl s THR 486 Cb -0.15 -3.44 0.55 0.00 1.34 0.00 0.00 72.50 70.79 3gvl s THR 486 CO 0.12 -0.41 1.72 -2.65 -0.54 0.00 0.00 174.62 172.86 3gvl n PRO 487 N -2.43 1.25 -3.99 3.99 -0.02 -1.26 -4.82 135.00 127.71 3gvl n PRO 487 Ca 0.04 -0.37 -0.10 0.00 -2.02 0.00 0.00 63.50 61.04 3gvl n PRO 487 Cb 0.58 -1.35 -0.04 0.00 -0.02 0.00 0.00 33.50 32.66 3gvl n PRO 487 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3gvl s ASN 488 N -1.65 0.09 0.03 2.55 2.20 -1.26 -5.13 114.94 111.77 3gvl s ASN 488 Ca 0.32 -1.03 -0.05 0.00 -0.94 0.00 0.00 52.86 51.15 3gvl s ASN 488 Cb 0.16 0.63 -0.01 0.00 -2.00 0.00 0.00 41.25 40.02 3gvl s ASN 488 CO 0.25 -1.23 0.09 0.00 -2.94 0.00 0.00 177.10 173.28 3gvl s GLN 489 N -3.69 0.55 0.16 3.55 -2.07 -1.26 -4.37 119.66 112.52 3gvl s GLN 489 Ca 0.23 -0.68 0.08 0.00 -1.82 0.00 0.00 55.36 53.17 3gvl s GLN 489 Cb -0.01 0.22 -0.04 0.00 -1.09 0.00 0.00 33.01 32.08 3gvl s GLN 489 CO 0.11 -0.13 -0.16 -0.65 -1.32 0.00 0.00 175.29 173.14 3gvl s GLN 490 N -2.29 1.22 0.04 9.60 1.11 -1.26 -4.91 119.66 123.15 3gvl s GLN 490 Ca -0.08 -1.41 0.28 0.00 0.01 0.00 0.00 55.36 54.17 3gvl s GLN 490 Cb -0.03 -1.15 1.15 0.00 -1.01 0.00 0.00 33.01 31.97 3gvl s GLN 490 CO -0.03 0.22 1.89 0.25 0.01 0.00 0.00 175.29 177.63 3gvl n THR 491 N 0.18 0.14 -4.42 -0.19 -2.24 -1.26 -0.30 114.28 106.19 3gvl n THR 491 Ca -0.12 -0.04 -0.27 0.00 -2.27 0.00 0.00 64.05 61.35 3gvl n THR 491 Cb 0.58 -0.53 -0.12 0.00 -2.10 0.00 0.00 70.33 68.16 3gvl n THR 491 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3gvl s SER 492 N -3.26 3.41 0.48 3.42 1.04 -1.26 -4.73 113.70 112.79 3gvl s SER 492 Ca 0.13 -0.87 -0.24 0.00 0.48 0.00 0.00 55.95 55.45 3gvl s SER 492 Cb 0.18 -0.25 -0.07 0.00 0.10 0.00 0.00 66.02 65.98 3gvl s SER 492 CO 0.53 0.11 1.33 -1.81 0.98 0.00 0.00 173.24 174.38 3gvl s ASP 493 N -2.69 5.79 0.04 7.02 1.01 -1.26 -4.10 116.67 122.48 3gvl s ASP 493 Ca 0.21 2.69 0.09 0.00 0.71 0.00 0.00 52.55 56.25 3gvl s ASP 493 Cb -0.08 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 41.19 3gvl s ASP 493 CO 0.10 -1.21 -0.25 -0.76 0.21 0.00 0.00 175.17 173.26 3gvl s LEU 494 N -3.02 2.26 -0.27 1.23 1.43 -0.04 -4.93 118.68 115.33 3gvl s LEU 494 Ca 0.65 -0.55 -0.08 0.00 -1.03 0.00 0.00 54.13 53.12 3gvl s LEU 494 Cb -0.39 -1.34 0.12 0.00 0.03 0.00 0.00 46.19 44.62 3gvl s LEU 494 CO 0.48 0.26 0.57 0.21 0.23 0.00 0.00 176.35 178.10 3gvl s ASN 495 N -1.23 -0.85 -0.21 2.29 3.84 -1.26 -1.09 114.94 116.43 3gvl s ASN 495 Ca 0.12 1.29 0.07 0.00 0.21 0.00 0.00 52.86 54.55 3gvl s ASN 495 Cb -0.10 1.97 0.50 0.00 -0.55 0.00 0.00 41.25 43.07 3gvl s ASN 495 CO 0.02 -0.23 1.42 -0.46 -2.79 0.00 0.00 177.10 175.06 3gvl n ASN 496 N 5.43 3.87 -4.56 -4.21 6.94 -0.66 -4.98 115.26 117.10 3gvl n ASN 496 Ca -0.10 -2.77 -0.51 0.00 -0.02 0.00 0.00 54.58 51.18 3gvl n ASN 496 Cb 0.49 -0.66 -0.05 0.00 -2.36 0.00 0.00 39.78 37.20 3gvl n ASN 496 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3gvl n ALA 497 N 0.05 -1.44 -0.97 -2.53 0.00 -1.26 -1.10 120.51 113.26 3gvl n ALA 497 Ca 0.26 0.50 0.00 0.00 0.00 0.00 0.00 53.44 54.20 3gvl n ALA 497 Cb 1.01 -1.97 0.00 0.00 0.00 0.00 0.00 19.45 18.50 3gvl n ALA 497 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gvl n GLY 498 N 2.07 0.88 3.65 0.00 0.00 -1.26 -4.85 105.19 105.68 3gvl n GLY 498 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3gvl n GLY 498 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gvl s LYS 499 N -0.09 3.33 -0.04 1.61 1.02 -0.26 -4.85 119.74 120.47 3gvl s LYS 499 Ca 0.00 -0.40 -0.24 0.00 0.02 0.00 0.00 55.97 55.35 3gvl s LYS 499 Cb 0.00 -2.92 -0.04 0.00 -0.52 0.00 0.00 37.83 34.35 3gvl s LYS 499 CO 0.00 0.54 0.73 -0.80 -0.92 0.00 0.00 175.35 174.91 3gvl s ASN 500 N -0.43 7.06 0.35 2.83 0.01 -1.26 -1.20 114.94 122.30 3gvl s ASN 500 Ca 0.08 1.27 0.02 0.00 -0.71 0.00 0.00 52.86 53.52 3gvl s ASN 500 Cb -0.12 -2.43 -0.01 0.00 0.41 0.00 0.00 41.25 39.10 3gvl s ASN 500 CO 0.02 -0.11 0.42 -1.66 -1.51 0.00 0.00 177.10 174.26 3gvl s TRP 501 N 0.68 1.40 -0.02 2.20 1.48 0.40 -4.82 118.94 120.25 3gvl s TRP 501 Ca 0.39 -1.48 0.02 0.00 -1.06 0.00 0.00 56.10 53.96 3gvl s TRP 501 Cb -0.18 -0.33 0.01 0.00 -1.16 0.00 0.00 33.47 31.80 3gvl s TRP 501 CO 0.20 -1.07 -0.06 -1.01 -4.06 0.00 0.00 176.95 170.95 3gvl s HIS 502 N -3.07 0.66 0.07 1.66 3.76 -0.41 -1.12 115.29 116.84 3gvl s HIS 502 Ca 0.35 -0.15 0.05 0.00 -0.15 0.00 0.00 55.06 55.16 3gvl s HIS 502 Cb 0.00 -0.51 -0.04 0.00 1.11 0.00 0.00 32.58 33.15 3gvl s HIS 502 CO 0.25 -0.09 -0.03 1.41 -0.85 0.00 0.00 174.74 175.43 3gvl s MET 503 N 0.33 2.49 0.06 1.40 1.75 -0.28 -1.15 119.30 123.90 3gvl s MET 503 Ca -0.04 -0.84 0.01 0.00 -1.25 0.00 0.00 55.69 53.57 3gvl s MET 503 Cb -0.08 -2.50 -0.00 0.00 2.84 0.00 0.00 34.83 35.08 3gvl s MET 503 CO -0.00 0.55 0.06 0.41 -0.65 0.00 0.00 175.02 175.39 3gvl n GLY 504 N 0.81 3.54 3.72 2.11 0.00 -0.54 0.11 105.19 114.94 3gvl n GLY 504 Ca -0.12 -1.60 -0.24 0.00 0.00 0.00 0.00 46.02 44.05 3gvl n GLY 504 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gvl s THR 505 N -2.32 2.46 -0.14 2.61 -4.23 -0.64 0.01 115.64 113.39 3gvl s THR 505 Ca 0.06 -1.75 -0.05 0.00 -1.18 0.00 0.00 61.69 58.77 3gvl s THR 505 Cb 0.00 -2.96 0.07 0.00 1.34 0.00 0.00 72.50 70.95 3gvl s THR 505 CO 0.04 -0.06 0.29 -0.55 -0.54 0.00 0.00 174.62 173.80 3gvl s SER 506 N -3.86 0.19 0.10 3.99 0.15 -1.26 -3.44 113.70 109.57 3gvl s SER 506 Ca 0.39 0.66 -0.22 0.00 0.70 0.00 0.00 55.95 57.49 3gvl s SER 506 Cb 0.02 0.79 -0.13 0.00 -1.71 0.00 0.00 66.02 65.00 3gvl s SER 506 CO 0.22 -0.23 1.73 0.15 1.20 0.00 0.00 173.24 176.31 3gvl h PHE 507 N 8.17 0.09 -0.89 3.44 3.04 -1.79 -2.91 116.94 126.08 3gvl h PHE 507 Ca -0.17 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.77 3gvl h PHE 507 Cb 1.12 -0.03 -0.04 0.00 2.56 0.00 0.00 35.95 39.56 3gvl h PHE 507 CO 0.35 0.07 0.51 1.25 -2.02 0.00 0.00 178.31 178.48 3gvl h HIS 508 N 0.07 1.20 -0.32 0.41 2.76 -1.95 -2.99 115.15 114.33 3gvl h HIS 508 Ca 0.02 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 3gvl h HIS 508 Cb 0.01 -0.39 0.00 0.00 1.55 0.00 0.00 27.41 28.58 3gvl h HIS 508 CO -0.07 0.82 0.00 1.63 -1.30 0.00 0.00 177.93 179.01 3gvl n LYS 509 N -4.37 2.22 -4.53 5.26 4.76 -1.23 -4.86 118.16 115.40 3gvl n LYS 509 Ca 0.09 -1.84 -0.32 0.00 -2.87 0.00 0.00 58.31 53.37 3gvl n LYS 509 Cb 0.08 -1.46 -0.11 0.00 -1.84 0.00 0.00 35.03 31.70 3gvl n LYS 509 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 3gvl s SER 510 N -1.48 4.51 0.65 4.39 0.01 -1.10 -4.34 113.70 116.33 3gvl s SER 510 Ca 0.36 -0.16 -0.12 0.00 1.31 0.00 0.00 55.95 57.34 3gvl s SER 510 Cb 0.21 -1.03 -0.02 0.00 0.21 0.00 0.00 66.02 65.39 3gvl s SER 510 CO 0.29 0.30 1.05 -2.16 0.41 0.00 0.00 173.24 173.12 3gvl s PRO 511 N -1.29 3.21 0.40 12.44 0.04 -1.26 -4.91 135.00 143.62 3gvl s PRO 511 Ca 0.16 0.96 -0.26 0.00 0.04 0.00 0.00 61.00 61.90 3gvl s PRO 511 Cb -0.11 -2.03 -0.09 0.00 0.04 0.00 0.00 34.50 32.31 3gvl s PRO 511 CO 0.06 -0.88 1.32 -1.58 0.04 0.00 0.00 177.00 175.96 3gvl s TRP 512 N -2.93 2.81 -0.17 0.56 0.52 -1.26 -4.74 118.94 113.73 3gvl s TRP 512 Ca 0.59 1.39 -0.19 0.00 0.02 0.00 0.00 56.10 57.90 3gvl s TRP 512 Cb -0.13 -3.71 -0.03 0.00 -1.15 0.00 0.00 33.47 28.44 3gvl s TRP 512 CO 0.50 -2.17 0.53 0.50 0.02 0.00 0.00 176.95 176.33 3gvl s ARG 513 N -2.19 4.26 -0.21 4.98 3.52 0.73 -4.92 118.95 125.10 3gvl s ARG 513 Ca 0.56 0.48 -0.00 0.00 -0.13 0.00 0.00 55.73 56.64 3gvl s ARG 513 Cb -0.39 -3.52 0.02 0.00 -1.56 0.00 0.00 34.95 29.50 3gvl s ARG 513 CO 0.51 -0.05 -0.13 0.15 -0.81 0.00 0.00 175.30 174.97 3gvl s LYS 514 N 1.29 2.93 -0.32 5.12 1.02 -1.26 -1.06 119.74 127.46 3gvl s LYS 514 Ca 0.26 -0.89 -0.05 0.00 0.02 0.00 0.00 55.97 55.30 3gvl s LYS 514 Cb -0.15 -2.78 0.03 0.00 -0.52 0.00 0.00 37.83 34.41 3gvl s LYS 514 CO 0.10 -0.30 0.07 0.99 -0.92 0.00 0.00 175.35 175.30 3gvl s THR 515 N 1.31 3.62 -0.13 2.17 2.01 0.24 -4.98 115.64 119.87 3gvl s THR 515 Ca 0.02 -1.08 -0.29 0.00 0.31 0.00 0.00 61.69 60.65 3gvl s THR 515 Cb -0.15 -3.00 -0.03 0.00 0.01 0.00 0.00 72.50 69.33 3gvl s THR 515 CO -0.08 -0.09 1.38 -0.62 -0.69 0.00 0.00 174.62 174.52 3gvl s ASP 516 N 1.39 6.86 0.00 3.53 -1.08 -1.26 -1.09 116.67 125.01 3gvl s ASP 516 Ca -0.01 1.85 0.22 0.00 -0.52 0.00 0.00 52.55 54.08 3gvl s ASP 516 Cb -0.19 -2.54 0.26 0.00 -1.46 0.00 0.00 42.92 38.99 3gvl s ASP 516 CO 0.02 -0.82 1.26 0.18 0.52 0.00 0.00 175.17 176.33 3gvl n LEU 517 N 6.78 3.04 0.00 -1.34 4.77 0.17 -4.98 117.00 125.45 3gvl n LEU 517 Ca 0.15 -1.19 0.00 0.00 -0.03 0.00 0.00 56.01 54.94 3gvl n LEU 517 Cb 0.44 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 3gvl n LEU 517 CO 0.58 0.57 0.00 0.61 -1.33 0.00 0.00 177.39 177.82 3gvl n GLY 518 N 1.30 -0.69 3.50 -0.72 0.00 -1.16 -4.21 105.19 103.21 3gvl n GLY 518 Ca 0.15 -1.09 -0.42 0.00 0.00 0.00 0.00 46.02 44.65 3gvl n GLY 518 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gvl s LEU 519 N 0.00 3.98 0.05 0.99 2.96 -1.26 -0.84 118.68 124.56 3gvl s LEU 519 Ca 0.00 -1.14 -0.31 0.00 -0.22 0.00 0.00 54.13 52.45 3gvl s LEU 519 Cb 0.00 -2.49 -0.10 0.00 0.50 0.00 0.00 46.19 44.10 3gvl s LEU 519 CO 0.00 -1.49 1.90 -0.38 -1.32 0.00 0.00 176.35 175.06 3gvl n ILE 520 N 6.18 0.57 -1.76 6.68 5.41 -1.26 -4.92 119.36 130.26 3gvl n ILE 520 Ca 0.11 -0.10 -0.35 0.00 1.00 0.00 0.00 62.75 63.41 3gvl n ILE 520 Cb 0.48 -2.16 0.06 0.00 -0.71 0.00 0.00 39.64 37.31 3gvl n ILE 520 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3gvl s PRO 521 N 3.67 2.64 -1.34 0.38 0.04 -1.26 -3.59 135.00 135.53 3gvl s PRO 521 Ca 0.87 1.75 -0.02 0.00 0.04 0.00 0.00 61.00 63.64 3gvl s PRO 521 Cb -0.50 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.16 3gvl s PRO 521 CO 0.42 -1.45 0.73 0.43 0.04 0.00 0.00 177.00 177.17 3gvl n SER 522 N -2.12 -1.66 -3.89 6.66 7.64 -1.26 -5.00 113.62 113.99 3gvl n SER 522 Ca 0.13 -0.82 -0.19 0.00 1.01 0.00 0.00 58.87 59.00 3gvl n SER 522 Cb 0.50 -4.00 -0.16 0.00 -1.01 0.00 0.00 64.21 59.54 3gvl n SER 522 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3gvl s VAL 523 N -3.63 0.49 -0.25 0.44 1.01 -1.24 -4.42 120.40 112.80 3gvl s VAL 523 Ca 0.10 -0.11 -0.14 0.00 0.00 0.00 0.00 61.98 61.82 3gvl s VAL 523 Cb -0.05 -0.51 -0.15 0.00 0.00 0.00 0.00 36.38 35.67 3gvl s VAL 523 CO 0.82 0.21 -0.17 0.41 0.00 0.00 0.00 175.10 176.36 3gvl n THR 524 N 3.94 1.54 -3.81 3.92 -1.04 0.49 -4.92 114.28 114.39 3gvl n THR 524 Ca -0.25 -0.32 -0.12 0.00 -2.04 0.00 0.00 64.05 61.32 3gvl n THR 524 Cb 0.51 -1.88 -0.11 0.00 -1.82 0.00 0.00 70.33 67.03 3gvl n THR 524 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3gvl s GLU 525 N -2.47 0.34 -0.15 -2.82 2.02 -1.13 -4.73 118.70 109.76 3gvl s GLU 525 Ca -0.35 0.09 -0.10 0.00 0.02 0.00 0.00 54.97 54.63 3gvl s GLU 525 Cb 0.12 0.15 -0.05 0.00 0.10 0.00 0.00 34.13 34.46 3gvl s GLU 525 CO 0.54 -0.06 0.18 0.08 0.02 0.00 0.00 175.26 176.01 3gvl s VAL 526 N -0.37 5.41 -0.22 2.63 1.01 -1.26 -2.23 120.40 125.37 3gvl s VAL 526 Ca -0.05 0.30 -0.12 0.00 0.00 0.00 0.00 61.98 62.11 3gvl s VAL 526 Cb -0.03 -3.48 0.07 0.00 0.00 0.00 0.00 36.38 32.94 3gvl s VAL 526 CO 0.01 0.52 0.53 -2.28 0.00 0.00 0.00 175.10 173.88 3gvl s HIS 527 N -0.31 -0.83 0.00 5.22 5.04 0.56 -3.93 115.29 121.05 3gvl s HIS 527 Ca 0.13 1.68 0.00 0.00 -1.54 0.00 0.00 55.06 55.33 3gvl s HIS 527 Cb -0.12 0.44 0.00 0.00 0.04 0.00 0.00 32.58 32.94 3gvl s HIS 527 CO 0.02 -0.44 0.00 0.45 -2.34 0.00 0.00 174.74 172.43 3gvl n SER 528 N 4.41 0.00 -3.70 9.88 2.88 -0.29 -1.30 113.62 125.50 3gvl n SER 528 Ca -0.21 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.23 3gvl n SER 528 Cb 0.56 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.91 3gvl n SER 528 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 3gvl s PHE 529 N -2.98 -0.55 -0.20 0.66 5.36 -1.26 -2.29 117.98 116.72 3gvl s PHE 529 Ca 0.00 1.18 -0.00 0.00 -0.96 0.00 0.00 56.93 57.14 3gvl s PHE 529 Cb 0.00 0.20 0.05 0.00 -0.34 0.00 0.00 43.02 42.94 3gvl s PHE 529 CO 0.00 -0.33 -0.04 0.00 -1.46 0.00 0.00 175.22 173.39 3gvl s ALA 530 N 1.53 1.67 0.13 11.12 0.00 0.02 -4.72 121.76 131.51 3gvl s ALA 530 Ca -0.08 -1.07 -0.31 0.00 0.00 0.00 0.00 51.96 50.49 3gvl s ALA 530 Cb -0.09 -1.28 -0.09 0.00 0.00 0.00 0.00 23.12 21.65 3gvl s ALA 530 CO -0.12 -1.02 1.54 0.99 0.00 0.00 0.00 175.76 177.15 3gvl s THR 531 N 1.54 2.88 -0.25 0.00 2.01 -1.26 -0.66 115.64 119.90 3gvl s THR 531 Ca -0.03 0.58 -0.16 0.00 0.31 0.00 0.00 61.69 62.39 3gvl s THR 531 Cb -0.17 -3.37 -0.13 0.00 0.01 0.00 0.00 72.50 68.83 3gvl s THR 531 CO -0.07 0.04 -0.19 -0.38 -0.69 0.00 0.00 174.62 173.33 3gvl n ILE 532 N 4.11 1.53 -2.10 1.82 2.08 -0.62 -4.63 119.36 121.55 3gvl n ILE 532 Ca 0.14 -0.24 0.00 0.00 0.56 0.00 0.00 62.75 63.21 3gvl n ILE 532 Cb 0.40 -1.97 0.00 0.00 -0.75 0.00 0.00 39.64 37.32 3gvl n ILE 532 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 3gvl n ASP 533 N -4.33 0.00 0.04 4.38 5.68 -1.06 -5.02 116.55 116.24 3gvl n ASP 533 Ca -0.45 -0.05 0.08 0.00 -0.50 0.00 0.00 54.79 53.88 3gvl n ASP 533 Cb 0.79 0.00 0.36 0.00 -1.14 0.00 0.00 41.12 41.13 3gvl n ASP 533 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3gvl n ASN 534 N -0.05 0.19 -0.01 -1.12 5.15 -1.26 -3.56 115.26 114.60 3gvl n ASN 534 Ca 0.00 0.55 0.03 0.00 -0.60 0.00 0.00 54.58 54.56 3gvl n ASN 534 Cb 0.00 -0.59 -0.07 0.00 -0.53 0.00 0.00 39.78 38.60 3gvl n ASN 534 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3gvl n ASN 535 N -1.71 3.05 -0.79 1.20 3.02 -1.26 -4.60 115.26 114.17 3gvl n ASN 535 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 3gvl n ASN 535 Cb 0.18 1.28 0.00 0.00 -0.61 0.00 0.00 39.78 40.63 3gvl n ASN 535 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gvl n GLY 536 N 2.10 1.24 3.73 7.41 0.00 -1.23 -0.93 105.19 117.50 3gvl n GLY 536 Ca -0.03 -0.85 -0.06 0.00 0.00 0.00 0.00 46.02 45.09 3gvl n GLY 536 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3gvl s PHE 537 N -4.55 -0.20 0.17 1.61 -0.12 -0.94 -1.59 117.98 112.36 3gvl s PHE 537 Ca 0.00 -0.12 0.11 0.00 -0.05 0.00 0.00 56.93 56.87 3gvl s PHE 537 Cb 0.00 0.64 -0.04 0.00 -0.63 0.00 0.00 43.02 42.99 3gvl s PHE 537 CO 0.00 -0.90 -0.21 0.00 -0.05 0.00 0.00 175.22 174.06 3gvl s ALA 538 N -3.46 2.62 -0.03 1.99 0.00 0.17 -0.74 121.76 122.31 3gvl s ALA 538 Ca 0.10 -1.56 0.04 0.00 0.00 0.00 0.00 51.96 50.55 3gvl s ALA 538 Cb -0.02 -0.45 -0.01 0.00 0.00 0.00 0.00 23.12 22.64 3gvl s ALA 538 CO 0.01 0.47 -0.15 -1.64 0.00 0.00 0.00 175.76 174.45 3gvl s MET 539 N -2.57 1.41 0.72 0.00 -1.94 -0.16 -0.80 119.30 115.96 3gvl s MET 539 Ca 0.20 -0.52 -0.11 0.00 -1.71 0.00 0.00 55.69 53.55 3gvl s MET 539 Cb -0.09 -1.29 0.02 0.00 2.01 0.00 0.00 34.83 35.49 3gvl s MET 539 CO 0.10 0.25 1.07 0.20 -0.01 0.00 0.00 175.02 176.64 3gvl s GLY 540 N -0.08 1.65 0.19 -0.03 0.00 -0.42 -0.12 107.32 108.51 3gvl s GLY 540 Ca -0.00 -0.07 -0.20 0.00 0.00 0.00 0.00 44.72 44.46 3gvl s GLY 540 CO 0.01 0.28 0.56 -2.52 0.00 0.00 0.00 173.10 171.43 3gvl s TYR 541 N -3.12 -0.27 0.07 1.90 1.13 -0.48 -0.32 117.35 116.25 3gvl s TYR 541 Ca 0.59 -0.04 -0.07 0.00 -1.41 0.00 0.00 57.07 56.14 3gvl s TYR 541 Cb -0.14 0.47 -0.01 0.00 -1.10 0.00 0.00 41.96 41.18 3gvl s TYR 541 CO 0.54 -0.91 0.13 -3.38 -2.51 0.00 0.00 175.55 169.42 3gvl s HIS 542 N -3.83 0.24 -0.16 -3.49 -3.43 -0.95 -1.62 115.29 102.05 3gvl s HIS 542 Ca 0.06 -0.67 0.02 0.00 -0.80 0.00 0.00 55.06 53.67 3gvl s HIS 542 Cb -0.01 -0.14 0.02 0.00 -1.43 0.00 0.00 32.58 31.01 3gvl s HIS 542 CO -0.06 -0.48 -0.20 -1.14 -2.00 0.00 0.00 174.74 170.86 3gvl s GLN 543 N -3.65 2.90 -0.00 -0.38 -0.44 0.26 -0.38 119.66 117.97 3gvl s GLN 543 Ca 0.04 -0.80 0.00 0.00 -2.50 0.00 0.00 55.36 52.10 3gvl s GLN 543 Cb 0.05 -2.44 0.00 0.00 -1.64 0.00 0.00 33.01 28.98 3gvl s GLN 543 CO -0.10 -0.12 0.64 0.41 0.50 0.00 0.00 175.29 176.62 3gvl n GLY 544 N 4.38 -1.82 0.14 2.59 0.00 -1.26 -1.68 105.19 107.55 3gvl n GLY 544 Ca -0.20 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.57 3gvl n GLY 544 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3gvl h ASP 545 N 0.00 0.67 -4.12 1.61 3.32 -1.95 -3.47 116.42 112.48 3gvl h ASP 545 Ca 0.00 -0.92 -0.52 0.00 0.02 0.00 0.00 57.03 55.61 3gvl h ASP 545 Cb 1.05 -0.22 -0.21 0.00 0.22 0.00 0.00 39.33 40.17 3gvl h ASP 545 CO 0.00 1.76 -0.81 0.68 -1.72 0.00 0.00 179.24 179.16 3gvl s VAL 546 N -2.58 1.61 0.32 -1.35 -7.23 -1.26 -5.13 120.40 104.77 3gvl s VAL 546 Ca -0.14 -1.58 -0.28 0.00 -1.81 0.00 0.00 61.98 58.17 3gvl s VAL 546 Cb 0.05 -1.53 -0.10 0.00 0.56 0.00 0.00 36.38 35.37 3gvl s VAL 546 CO 0.88 -0.15 1.18 0.00 -0.31 0.00 0.00 175.10 176.69 3gvl s ALA 547 N -1.38 3.38 0.36 1.32 0.00 -1.26 -3.82 121.76 120.35 3gvl s ALA 547 Ca 0.07 1.03 -0.13 0.00 0.00 0.00 0.00 51.96 52.92 3gvl s ALA 547 Cb -0.09 -3.39 -0.08 0.00 0.00 0.00 0.00 23.12 19.57 3gvl s ALA 547 CO 0.04 -0.39 0.75 -1.25 0.00 0.00 0.00 175.76 174.92 3gvl s PRO 548 N -1.74 3.91 0.56 0.00 0.04 -1.26 -5.13 135.00 131.37 3gvl s PRO 548 Ca 0.48 0.58 -0.21 0.00 0.04 0.00 0.00 61.00 61.90 3gvl s PRO 548 Cb -0.34 -2.41 -0.04 0.00 0.04 0.00 0.00 34.50 31.74 3gvl s PRO 548 CO 0.44 0.08 1.28 1.03 0.04 0.00 0.00 177.00 179.86 3gvl s ARG 549 N -3.34 3.12 0.07 4.56 0.52 -1.25 -4.91 118.95 117.71 3gvl s ARG 549 Ca 0.53 2.02 0.09 0.00 -0.52 0.00 0.00 55.73 57.86 3gvl s ARG 549 Cb -0.10 -2.14 -0.03 0.00 0.52 0.00 0.00 34.95 33.20 3gvl s ARG 549 CO 0.23 -1.14 -0.24 -1.21 0.02 0.00 0.00 175.30 172.96 3gvl s GLU 550 N -3.05 1.77 -0.01 3.54 2.02 -0.67 -4.81 118.70 117.48 3gvl s GLU 550 Ca 0.73 -1.14 -0.00 0.00 0.02 0.00 0.00 54.97 54.58 3gvl s GLU 550 Cb -0.35 -2.02 0.01 0.00 0.10 0.00 0.00 34.13 31.87 3gvl s GLU 550 CO 0.40 0.50 0.02 0.08 0.02 0.00 0.00 175.26 176.29 3gvl s VAL 551 N -0.91 -0.02 -0.12 2.63 1.01 -1.26 -0.57 120.40 121.15 3gvl s VAL 551 Ca 0.13 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.18 3gvl s VAL 551 Cb -0.10 -0.05 0.00 0.00 0.00 0.00 0.00 36.38 36.23 3gvl s VAL 551 CO 0.04 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.78 3gvl n GLY 552 N 3.45 -0.97 3.19 4.51 0.00 -0.64 -1.54 105.19 113.18 3gvl n GLY 552 Ca -0.17 -0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.72 3gvl n GLY 552 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3gvl s LEU 553 N 0.00 1.54 -0.20 0.99 0.05 0.37 -1.38 118.68 120.06 3gvl s LEU 553 Ca 0.00 -0.65 -0.04 0.00 0.05 0.00 0.00 54.13 53.50 3gvl s LEU 553 Cb 0.00 0.92 -0.02 0.00 -2.05 0.00 0.00 46.19 45.05 3gvl s LEU 553 CO 0.00 -0.68 -0.04 -0.36 -0.55 0.00 0.00 176.35 174.72 3gvl s PHE 554 N -3.65 2.97 -0.26 3.48 0.08 0.83 -0.84 117.98 120.60 3gvl s PHE 554 Ca 0.03 -0.70 -0.10 0.00 0.12 0.00 0.00 56.93 56.28 3gvl s PHE 554 Cb 0.04 -2.06 -0.05 0.00 -0.57 0.00 0.00 43.02 40.38 3gvl s PHE 554 CO -0.10 -0.37 0.17 -0.47 -0.10 0.00 0.00 175.22 174.35 3gvl s TYR 555 N 1.12 3.24 -0.59 0.36 5.04 -0.14 -0.99 117.35 125.39 3gvl s TYR 555 Ca 0.02 0.11 -0.13 0.00 -2.44 0.00 0.00 57.07 54.63 3gvl s TYR 555 Cb -0.15 -2.32 0.15 0.00 0.35 0.00 0.00 41.96 39.99 3gvl s TYR 555 CO 0.00 -0.08 0.51 -0.06 -1.34 0.00 0.00 175.55 174.58 3gvl s PHE 556 N 1.45 3.41 0.30 4.97 0.08 0.08 -1.08 117.98 127.20 3gvl s PHE 556 Ca 0.07 -1.67 0.10 0.00 0.12 0.00 0.00 56.93 55.56 3gvl s PHE 556 Cb -0.15 -3.70 0.47 0.00 -0.57 0.00 0.00 43.02 39.08 3gvl s PHE 556 CO 0.08 -1.00 1.68 -1.35 -0.10 0.00 0.00 175.22 174.53 3gvl h PRO 557 N 8.44 0.04 -2.44 0.24 0.11 -1.82 -2.50 132.00 134.08 3gvl h PRO 557 Ca -0.18 -0.02 -0.59 0.00 0.11 0.00 0.00 66.00 65.32 3gvl h PRO 557 Cb 1.07 0.00 -0.38 0.00 0.11 0.00 0.00 31.00 31.80 3gvl h PRO 557 CO 0.92 0.55 -0.93 0.34 -0.21 0.00 0.00 178.00 178.67 3gvl s ASP 558 N -6.88 1.95 0.36 -2.05 -1.08 -1.25 -3.73 116.67 103.99 3gvl s ASP 558 Ca -0.02 -2.78 0.27 0.00 -0.52 0.00 0.00 52.55 49.50 3gvl s ASP 558 Cb 0.13 -0.43 0.96 0.00 -1.46 0.00 0.00 42.92 42.12 3gvl s ASP 558 CO 0.75 -0.22 1.79 0.00 0.52 0.00 0.00 175.17 178.02 3gvl h ALA 559 N 6.09 1.00 0.05 3.66 0.00 -1.19 0.41 119.26 129.28 3gvl h ALA 559 Ca 0.20 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 3gvl h ALA 559 Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3gvl h ALA 559 CO 0.34 0.00 -0.02 0.74 0.00 0.00 0.00 179.25 180.30 3gvl h PHE 560 N 0.00 -0.06 0.06 0.00 -1.00 -1.94 -3.20 116.94 110.80 3gvl h PHE 560 Ca 0.00 -0.00 -0.24 0.00 2.81 0.00 0.00 57.97 60.53 3gvl h PHE 560 Cb 0.58 0.02 -0.02 0.00 3.61 0.00 0.00 35.95 40.15 3gvl h PHE 560 CO 0.00 0.48 -1.16 -0.91 -1.61 0.00 0.00 178.31 175.11 3gvl h ASN 561 N -0.95 0.19 -2.05 2.17 -0.26 -1.91 -3.41 115.58 109.36 3gvl h ASN 561 Ca -0.01 -0.21 -0.54 0.00 -0.56 0.00 0.00 56.30 54.99 3gvl h ASN 561 Cb 0.57 -0.06 -0.40 0.00 -1.06 0.00 0.00 38.32 37.37 3gvl h ASN 561 CO 0.01 1.17 -1.05 -1.20 -1.06 0.00 0.00 177.43 175.30 3gvl n SER 562 N -3.41 1.17 0.29 5.81 7.64 0.13 -4.94 113.62 120.31 3gvl n SER 562 Ca -0.05 -2.98 0.20 0.00 1.01 0.00 0.00 58.87 57.05 3gvl n SER 562 Cb 0.98 -0.63 1.01 0.00 -1.01 0.00 0.00 64.21 64.57 3gvl n SER 562 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3gvl h PRO 563 N 3.55 0.00 -0.00 1.43 0.13 -1.66 -1.73 132.00 133.71 3gvl h PRO 563 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3gvl h PRO 563 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 3gvl h PRO 563 CO 0.55 0.00 -0.31 -1.13 -0.23 0.00 0.00 178.00 176.87 3gvl n SER 564 N -2.92 0.66 -4.58 1.44 3.41 -1.26 -4.83 113.62 105.54 3gvl n SER 564 Ca -0.02 -0.49 -0.39 0.00 -0.26 0.00 0.00 58.87 57.71 3gvl n SER 564 Cb 0.11 0.11 -0.10 0.00 -0.26 0.00 0.00 64.21 64.06 3gvl n SER 564 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3gvl s ASN 565 N -2.73 6.09 0.10 4.04 2.47 -0.65 -5.06 114.94 119.20 3gvl s ASN 565 Ca 0.19 -0.05 -0.09 0.00 0.42 0.00 0.00 52.86 53.33 3gvl s ASN 565 Cb 0.19 -2.15 0.00 0.00 -1.45 0.00 0.00 41.25 37.84 3gvl s ASN 565 CO 0.59 -0.14 0.22 -0.72 -3.72 0.00 0.00 177.10 173.32 3gvl s TYR 566 N 1.85 0.15 -0.04 0.43 1.13 -1.26 -4.26 117.35 115.35 3gvl s TYR 566 Ca 0.09 -0.56 0.05 0.00 -1.41 0.00 0.00 57.07 55.24 3gvl s TYR 566 Cb -0.16 -0.03 -0.01 0.00 -1.10 0.00 0.00 41.96 40.66 3gvl s TYR 566 CO 0.11 -0.58 -0.20 0.54 -2.51 0.00 0.00 175.55 172.91 3gvl s VAL 567 N -3.87 1.61 -0.11 -3.49 0.11 -0.24 -4.92 120.40 109.50 3gvl s VAL 567 Ca 0.06 -0.82 -0.23 0.00 -2.93 0.00 0.00 61.98 58.06 3gvl s VAL 567 Cb 0.04 -1.37 -0.03 0.00 -1.53 0.00 0.00 36.38 33.49 3gvl s VAL 567 CO -0.10 0.46 0.70 -0.60 -3.33 0.00 0.00 175.10 172.23 3gvl s ARG 568 N -0.07 4.37 -0.12 1.54 3.52 -1.26 -0.97 118.95 125.96 3gvl s ARG 568 Ca -0.02 0.84 -0.01 0.00 -0.13 0.00 0.00 55.73 56.40 3gvl s ARG 568 Cb -0.12 -3.49 0.03 0.00 -1.56 0.00 0.00 34.95 29.82 3gvl s ARG 568 CO 0.02 -0.04 -0.03 1.03 -0.81 0.00 0.00 175.30 175.47 3gvl s ARG 569 N 1.19 1.07 0.18 5.12 1.81 -0.02 -5.01 118.95 123.29 3gvl s ARG 569 Ca 0.36 -0.19 -0.05 0.00 -1.72 0.00 0.00 55.73 54.12 3gvl s ARG 569 Cb -0.17 -1.50 -0.06 0.00 -0.45 0.00 0.00 34.95 32.77 3gvl s ARG 569 CO 0.16 -0.36 0.42 -0.65 -0.68 0.00 0.00 175.30 174.19 3gvl s GLN 570 N 1.81 3.64 0.95 3.54 -0.21 -1.26 -0.48 119.66 127.65 3gvl s GLN 570 Ca 0.03 -0.05 -0.12 0.00 0.02 0.00 0.00 55.36 55.25 3gvl s GLN 570 Cb -0.13 -2.80 0.16 0.00 1.00 0.00 0.00 33.01 31.24 3gvl s GLN 570 CO -0.07 0.41 1.10 0.96 -2.12 0.00 0.00 175.29 175.57 3gvl s ILE 571 N -1.74 2.28 0.46 1.08 -4.36 -0.59 -4.93 121.20 113.41 3gvl s ILE 571 Ca 0.42 0.09 -0.25 0.00 -0.26 0.00 0.00 60.65 60.65 3gvl s ILE 571 Cb -0.12 -2.63 -0.08 0.00 1.25 0.00 0.00 42.46 40.88 3gvl s ILE 571 CO 0.25 -0.12 1.41 -2.65 0.24 0.00 0.00 174.94 174.07 3gvl n PRO 572 N -4.00 2.15 -0.22 0.37 -0.02 -1.26 -4.87 135.00 127.15 3gvl n PRO 572 Ca 0.06 0.77 0.16 0.00 -2.02 0.00 0.00 63.50 62.47 3gvl n PRO 572 Cb 0.57 -2.61 0.48 0.00 -0.02 0.00 0.00 33.50 31.92 3gvl n PRO 572 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3gvl h SER 573 N 2.15 0.46 0.48 2.55 0.02 -1.98 -1.01 113.55 116.22 3gvl h SER 573 Ca -0.51 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 3gvl h SER 573 Cb 1.28 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.76 3gvl h SER 573 CO 0.60 0.22 0.00 1.05 -1.14 0.00 0.00 176.83 177.56 3gvl h GLU 574 N 0.48 0.00 -0.02 3.45 4.11 -2.01 -2.62 114.58 117.96 3gvl h GLU 574 Ca 0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.86 3gvl h GLU 574 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 3gvl h GLU 574 CO -0.16 0.00 -0.03 0.66 0.07 0.00 0.00 179.01 179.55 3gvl n TYR 575 N -2.42 0.00 0.04 2.06 4.01 -0.38 -4.52 117.16 115.95 3gvl n TYR 575 Ca 0.00 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.64 3gvl n TYR 575 Cb 0.16 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.06 3gvl n TYR 575 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 3gvl h GLU 576 N 3.61 0.07 -7.01 -0.72 5.08 -1.51 -3.44 114.58 110.66 3gvl h GLU 576 Ca 0.00 -0.12 -0.54 0.00 -1.00 0.00 0.00 59.36 57.70 3gvl h GLU 576 Cb 0.78 0.04 0.12 0.00 0.50 0.00 0.00 28.75 30.19 3gvl h GLU 576 CO 0.00 0.89 0.64 -2.14 -1.00 0.00 0.00 179.01 177.41 3gvl s PRO 577 N -2.66 3.52 -1.51 2.33 0.02 -1.26 -2.94 135.00 132.51 3gvl s PRO 577 Ca -0.03 2.28 -0.13 0.00 0.02 0.00 0.00 61.00 63.14 3gvl s PRO 577 Cb 0.09 -2.51 0.08 0.00 0.02 0.00 0.00 34.50 32.18 3gvl s PRO 577 CO 0.83 -0.90 0.92 -0.25 -0.33 0.00 0.00 177.00 177.27 3gvl n ASP 578 N -0.48 -4.82 -4.07 2.53 8.00 -1.26 -4.95 116.55 111.49 3gvl n ASP 578 Ca 0.07 -0.71 -0.14 0.00 0.71 0.00 0.00 54.79 54.72 3gvl n ASP 578 Cb 0.44 -3.86 -0.12 0.00 -0.02 0.00 0.00 41.12 37.55 3gvl n ASP 578 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gvl s ALA 579 N -3.25 0.68 0.35 2.24 0.00 -1.15 -0.99 121.76 119.65 3gvl s ALA 579 Ca 0.62 -0.75 -0.14 0.00 0.00 0.00 0.00 51.96 51.70 3gvl s ALA 579 Cb -0.31 -0.00 0.04 0.00 0.00 0.00 0.00 23.12 22.84 3gvl s ALA 579 CO 0.77 0.03 0.70 -1.54 0.00 0.00 0.00 175.76 175.72 3gvl s SER 580 N -1.43 0.14 -1.04 0.00 1.04 -0.25 -4.90 113.70 107.25 3gvl s SER 580 Ca -0.07 -1.12 -0.19 0.00 0.48 0.00 0.00 55.95 55.04 3gvl s SER 580 Cb -0.09 0.78 0.02 0.00 0.10 0.00 0.00 66.02 66.83 3gvl s SER 580 CO 0.01 -1.53 0.66 -0.62 0.98 0.00 0.00 173.24 172.74 3gvl n GLU 581 N -0.52 -0.84 -2.32 4.02 1.02 -1.26 -1.01 120.64 119.72 3gvl n GLU 581 Ca -0.05 0.40 -0.41 0.00 -0.02 0.00 0.00 57.16 57.08 3gvl n GLU 581 Cb 0.60 -2.59 -0.03 0.00 -0.02 0.00 0.00 31.44 29.40 3gvl n GLU 581 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3gvl s PRO 582 N -6.25 4.51 -0.15 3.49 0.04 -1.26 -3.93 135.00 131.45 3gvl s PRO 582 Ca 0.28 1.97 -0.14 0.00 0.04 0.00 0.00 61.00 63.15 3gvl s PRO 582 Cb -0.15 -3.15 -0.05 0.00 0.04 0.00 0.00 34.50 31.19 3gvl s PRO 582 CO 0.93 0.02 0.33 0.00 0.04 0.00 0.00 177.00 178.32 3gvl s ILE 584 N 0.43 1.34 0.04 0.00 -4.36 -1.26 -1.16 121.20 116.24 3gvl s ILE 584 Ca 0.18 -0.71 -0.06 0.00 -0.26 0.00 0.00 60.65 59.80 3gvl s ILE 584 Cb -0.13 -1.13 -0.01 0.00 1.25 0.00 0.00 42.46 42.44 3gvl s ILE 584 CO 0.05 0.38 0.12 -0.54 0.24 0.00 0.00 174.94 175.19 3gvl s LYS 585 N -0.28 0.63 -0.14 0.37 -0.14 -0.75 -4.06 119.74 115.38 3gvl s LYS 585 Ca 0.04 -0.78 0.01 0.00 -1.36 0.00 0.00 55.97 53.88 3gvl s LYS 585 Cb -0.08 0.25 0.02 0.00 -1.68 0.00 0.00 37.83 36.34 3gvl s LYS 585 CO 0.00 -0.17 -0.14 -0.47 -0.76 0.00 0.00 175.35 173.81 3gvl s TYR 586 N -2.80 2.10 -0.04 3.18 5.04 -1.26 -0.63 117.35 122.95 3gvl s TYR 586 Ca -0.03 -1.12 -0.00 0.00 -2.44 0.00 0.00 57.07 53.47 3gvl s TYR 586 Cb -0.00 -1.54 0.03 0.00 0.35 0.00 0.00 41.96 40.80 3gvl s TYR 586 CO -0.05 -0.61 0.02 0.71 -1.34 0.00 0.00 175.55 174.27 3gvl s TYR 587 N 1.33 0.31 -1.45 4.97 1.51 -0.06 -4.92 117.35 119.04 3gvl s TYR 587 Ca 0.01 0.03 -0.03 0.00 -1.01 0.00 0.00 57.07 56.08 3gvl s TYR 587 Cb -0.13 -0.49 0.02 0.00 -0.11 0.00 0.00 41.96 41.25 3gvl s TYR 587 CO -0.08 -0.18 0.47 -0.25 -1.11 0.00 0.00 175.55 174.40 3gvl n ASP 588 N 4.58 -0.78 0.00 2.29 8.00 -1.26 -0.90 116.55 128.49 3gvl n ASP 588 Ca -0.18 -1.01 0.00 0.00 0.71 0.00 0.00 54.79 54.31 3gvl n ASP 588 Cb 0.50 -3.00 0.00 0.00 -0.02 0.00 0.00 41.12 38.60 3gvl n ASP 588 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gvl n GLY 589 N -1.92 0.64 3.29 0.44 0.00 -1.26 -5.02 105.19 101.37 3gvl n GLY 589 Ca -0.25 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 3gvl n GLY 589 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gvl s VAL 590 N -2.64 2.84 -0.27 1.61 1.01 -0.08 -4.47 120.40 118.40 3gvl s VAL 590 Ca 0.00 -0.71 -0.16 0.00 0.00 0.00 0.00 61.98 61.11 3gvl s VAL 590 Cb 0.00 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 3gvl s VAL 590 CO 0.00 0.51 0.42 -0.22 0.00 0.00 0.00 175.10 175.81 3gvl s LEU 591 N 0.80 4.06 -0.08 3.92 1.98 0.04 -0.88 118.68 128.52 3gvl s LEU 591 Ca -0.05 0.34 -0.02 0.00 -2.89 0.00 0.00 54.13 51.51 3gvl s LEU 591 Cb -0.15 -2.50 -0.03 0.00 0.66 0.00 0.00 46.19 44.16 3gvl s LEU 591 CO 0.01 -0.23 0.03 -0.31 -1.89 0.00 0.00 176.35 173.96 3gvl s TYR 592 N 2.15 3.23 -0.03 5.38 2.02 0.20 -0.86 117.35 129.45 3gvl s TYR 592 Ca 0.17 0.24 0.00 0.00 -0.37 0.00 0.00 57.07 57.11 3gvl s TYR 592 Cb -0.16 -1.80 0.03 0.00 -0.40 0.00 0.00 41.96 39.63 3gvl s TYR 592 CO 0.10 0.51 0.01 -1.17 -1.57 0.00 0.00 175.55 173.43 3gvl s LEU 593 N -1.01 1.13 -0.10 -1.29 0.20 0.23 -1.80 118.68 116.04 3gvl s LEU 593 Ca 0.15 0.00 0.02 0.00 0.69 0.00 0.00 54.13 54.99 3gvl s LEU 593 Cb -0.11 -0.16 0.01 0.00 -0.43 0.00 0.00 46.19 45.50 3gvl s LEU 593 CO 0.04 -0.11 -0.16 -0.63 -0.29 0.00 0.00 176.35 175.20 3gvl s ILE 594 N 1.04 1.49 0.47 6.68 1.01 -0.31 -0.36 121.20 131.22 3gvl s ILE 594 Ca -0.10 -0.66 -0.05 0.00 0.00 0.00 0.00 60.65 59.85 3gvl s ILE 594 Cb -0.13 -1.35 -0.04 0.00 0.01 0.00 0.00 42.46 40.95 3gvl s ILE 594 CO -0.02 0.44 0.76 0.42 0.00 0.00 0.00 174.94 176.54 3gvl s THR 595 N 0.83 4.92 -0.08 2.92 -4.23 -0.36 -0.96 115.64 118.69 3gvl s THR 595 Ca -0.10 0.16 -0.17 0.00 -1.18 0.00 0.00 61.69 60.40 3gvl s THR 595 Cb -0.16 -3.86 -0.05 0.00 1.34 0.00 0.00 72.50 69.78 3gvl s THR 595 CO 0.01 -0.81 0.45 -0.60 -0.54 0.00 0.00 174.62 173.13 3gvl s ARG 596 N -4.66 4.23 0.20 3.99 3.52 -0.18 -4.16 118.95 121.88 3gvl s ARG 596 Ca 0.47 0.43 -0.16 0.00 -0.13 0.00 0.00 55.73 56.34 3gvl s ARG 596 Cb -0.10 -3.37 -0.08 0.00 -1.56 0.00 0.00 34.95 29.84 3gvl s ARG 596 CO 0.44 0.32 0.63 0.20 -0.81 0.00 0.00 175.30 176.08 3gvl s GLY 597 N 0.11 2.48 0.00 8.12 0.00 -1.24 -1.09 107.32 115.70 3gvl s GLY 597 Ca 0.25 -0.02 0.18 0.00 0.00 0.00 0.00 44.72 45.13 3gvl s GLY 597 CO 0.11 0.27 0.79 -1.30 0.00 0.00 0.00 173.10 172.97 3gvl n THR 598 N 0.55 0.00 -3.81 0.90 -2.24 -0.16 -0.26 114.28 109.26 3gvl n THR 598 Ca -0.03 -0.12 -0.14 0.00 -2.27 0.00 0.00 64.05 61.50 3gvl n THR 598 Cb 0.52 1.04 -0.15 0.00 -2.10 0.00 0.00 70.33 69.64 3gvl n THR 598 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3gvl s ARG 599 N -2.59 -0.02 0.14 -0.78 0.52 -1.26 -4.77 118.95 110.19 3gvl s ARG 599 Ca 0.08 0.11 0.24 0.00 -0.52 0.00 0.00 55.73 55.65 3gvl s ARG 599 Cb 0.14 -0.14 0.93 0.00 0.52 0.00 0.00 34.95 36.39 3gvl s ARG 599 CO 0.69 -0.10 1.75 0.41 0.02 0.00 0.00 175.30 178.06 3gvl n GLY 600 N 3.72 -1.43 0.96 -3.53 0.00 -1.26 -3.31 105.19 100.34 3gvl n GLY 600 Ca -0.21 -0.02 0.08 0.00 0.00 0.00 0.00 46.02 45.87 3gvl n GLY 600 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gvl n ASP 601 N -1.94 3.49 -4.15 1.61 5.75 -1.26 -1.04 116.55 119.01 3gvl n ASP 601 Ca 0.05 -2.13 -0.10 0.00 -0.01 0.00 0.00 54.79 52.60 3gvl n ASP 601 Cb 0.32 -0.37 -0.10 0.00 -1.03 0.00 0.00 41.12 39.94 3gvl n ASP 601 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3gvl s ARG 602 N -1.23 0.78 0.20 0.11 1.81 -1.21 -5.01 118.95 114.39 3gvl s ARG 602 Ca 0.35 -1.28 -0.32 0.00 -1.72 0.00 0.00 55.73 52.76 3gvl s ARG 602 Cb 0.20 -0.14 -0.15 0.00 -0.45 0.00 0.00 34.95 34.41 3gvl s ARG 602 CO 0.21 -0.03 1.12 1.28 -0.68 0.00 0.00 175.30 177.20 3gvl n LEU 603 N 0.08 1.52 0.00 2.53 4.77 -1.26 -4.64 117.00 120.00 3gvl n LEU 603 Ca -0.13 1.15 0.00 0.00 -0.03 0.00 0.00 56.01 57.00 3gvl n LEU 603 Cb 0.60 -1.22 0.00 0.00 -2.33 0.00 0.00 43.42 40.47 3gvl n LEU 603 CO 0.29 -1.36 0.00 0.61 -1.33 0.00 0.00 177.39 175.61 3gvl n GLY 604 N 1.86 3.95 3.48 -0.72 0.00 -1.26 -4.86 105.19 107.64 3gvl n GLY 604 Ca 0.14 -1.75 -0.51 0.00 0.00 0.00 0.00 46.02 43.90 3gvl n GLY 604 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gvl n SER 605 N 0.00 -0.18 -4.19 1.61 7.64 -0.34 -4.73 113.62 113.43 3gvl n SER 605 Ca 0.00 1.14 -0.15 0.00 1.01 0.00 0.00 58.87 60.88 3gvl n SER 605 Cb 0.00 -1.02 -0.11 0.00 -1.01 0.00 0.00 64.21 62.07 3gvl n SER 605 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3gvl s SER 606 N -0.48 1.52 -0.03 6.43 1.04 -1.26 -1.58 113.70 119.35 3gvl s SER 606 Ca 0.73 -0.84 0.07 0.00 0.48 0.00 0.00 55.95 56.39 3gvl s SER 606 Cb -1.00 0.00 -0.02 0.00 0.10 0.00 0.00 66.02 65.11 3gvl s SER 606 CO 0.56 -0.26 -0.23 -0.22 0.98 0.00 0.00 173.24 174.06 3gvl s LEU 607 N -2.53 2.21 0.01 2.42 2.96 0.12 -1.22 118.68 122.64 3gvl s LEU 607 Ca 0.07 -0.41 0.00 0.00 -0.22 0.00 0.00 54.13 53.58 3gvl s LEU 607 Cb -0.02 -1.39 -0.01 0.00 0.50 0.00 0.00 46.19 45.27 3gvl s LEU 607 CO 0.00 0.33 -0.02 -1.00 -1.32 0.00 0.00 176.35 174.34 3gvl s HIS 608 N -0.63 0.13 0.05 5.38 3.76 0.52 -0.79 115.29 123.70 3gvl s HIS 608 Ca 0.10 -0.21 0.04 0.00 -0.15 0.00 0.00 55.06 54.85 3gvl s HIS 608 Cb -0.10 -0.09 -0.02 0.00 1.11 0.00 0.00 32.58 33.47 3gvl s HIS 608 CO -0.01 -0.07 -0.12 -0.98 -0.85 0.00 0.00 174.74 172.71 3gvl s ARG 609 N -0.58 0.80 -0.04 1.40 1.70 -0.24 -0.60 118.95 121.39 3gvl s ARG 609 Ca -0.06 -0.78 -0.03 0.00 -0.47 0.00 0.00 55.73 54.39 3gvl s ARG 609 Cb -0.04 -0.77 0.01 0.00 -0.57 0.00 0.00 34.95 33.58 3gvl s ARG 609 CO -0.00 0.18 0.10 0.45 -1.08 0.00 0.00 175.30 174.95 3gvl s SER 610 N -1.32 -0.10 -0.02 -2.89 0.15 -0.04 -1.07 113.70 108.42 3gvl s SER 610 Ca -0.01 0.20 0.17 0.00 0.70 0.00 0.00 55.95 57.01 3gvl s SER 610 Cb -0.08 0.20 0.52 0.00 -1.71 0.00 0.00 66.02 64.95 3gvl s SER 610 CO 0.01 -0.04 1.44 0.54 1.20 0.00 0.00 173.24 176.39 3gvl n ARG 611 N 3.05 2.93 -1.96 5.44 1.74 -1.26 -0.78 116.66 125.82 3gvl n ARG 611 Ca -0.13 -2.47 -0.00 0.00 -0.77 0.00 0.00 57.85 54.48 3gvl n ARG 611 Cb 0.59 -1.51 0.05 0.00 -1.02 0.00 0.00 32.46 30.57 3gvl n ARG 611 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3gvl n ASP 612 N 1.06 1.74 -3.86 0.55 5.68 -1.26 -4.96 116.55 115.50 3gvl n ASP 612 Ca 0.20 -2.42 -0.27 0.00 -0.50 0.00 0.00 54.79 51.79 3gvl n ASP 612 Cb 0.60 -0.40 0.02 0.00 -1.14 0.00 0.00 41.12 40.20 3gvl n ASP 612 CO 0.00 0.00 0.00 -0.38 -1.33 0.00 0.00 177.20 175.49 3gvl n ILE 613 N -0.24 -2.84 -0.31 2.12 5.41 -1.26 -3.09 119.36 119.15 3gvl n ILE 613 Ca 0.12 -0.19 0.00 0.00 1.00 0.00 0.00 62.75 63.68 3gvl n ILE 613 Cb 0.94 -3.11 0.00 0.00 -0.71 0.00 0.00 39.64 36.77 3gvl n ILE 613 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3gvl n GLY 614 N -1.67 0.76 0.21 7.39 0.00 -1.26 -4.96 105.19 105.66 3gvl n GLY 614 Ca -0.09 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.76 3gvl n GLY 614 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3gvl h GLN 615 N 3.68 0.74 -5.28 1.61 4.20 -1.90 -3.41 115.11 114.76 3gvl h GLN 615 Ca 0.00 -0.62 -0.38 0.00 0.06 0.00 0.00 58.65 57.71 3gvl h GLN 615 Cb 0.00 0.13 -0.17 0.00 0.30 0.00 0.00 27.48 27.74 3gvl h GLN 615 CO 0.00 1.23 -0.74 0.95 -0.67 0.00 0.00 178.83 179.59 3gvl s THR 616 N -3.71 1.25 0.03 -0.54 -4.23 -1.26 -5.05 115.64 102.13 3gvl s THR 616 Ca -0.11 -1.80 0.00 0.00 -1.18 0.00 0.00 61.69 58.60 3gvl s THR 616 Cb 0.08 -1.59 -0.02 0.00 1.34 0.00 0.00 72.50 72.30 3gvl s THR 616 CO 0.89 -0.52 -0.03 0.26 -0.54 0.00 0.00 174.62 174.68 3gvl s TRP 617 N -2.48 0.34 -0.05 3.99 0.52 -1.26 -4.42 118.94 115.58 3gvl s TRP 617 Ca 0.11 -0.62 0.02 0.00 0.02 0.00 0.00 56.10 55.63 3gvl s TRP 617 Cb -0.03 -0.24 -0.03 0.00 -1.15 0.00 0.00 33.47 32.02 3gvl s TRP 617 CO 0.02 -0.21 -0.10 -1.21 0.02 0.00 0.00 176.95 175.47 3gvl s GLU 618 N -1.89 2.62 0.09 4.98 2.02 -0.23 -4.97 118.70 121.33 3gvl s GLU 618 Ca -0.12 -0.63 0.03 0.00 0.02 0.00 0.00 54.97 54.28 3gvl s GLU 618 Cb -0.07 -2.49 -0.04 0.00 0.10 0.00 0.00 34.13 31.64 3gvl s GLU 618 CO -0.02 0.64 -0.09 -1.12 0.02 0.00 0.00 175.26 174.69 3gvl s SER 619 N -0.81 1.25 -0.05 -0.19 0.01 -1.26 -1.08 113.70 111.57 3gvl s SER 619 Ca 0.12 -0.83 -0.07 0.00 1.31 0.00 0.00 55.95 56.49 3gvl s SER 619 Cb -0.11 0.04 0.01 0.00 0.21 0.00 0.00 66.02 66.18 3gvl s SER 619 CO 0.01 -0.32 0.17 -0.76 0.41 0.00 0.00 173.24 172.76 3gvl s LEU 620 N -2.49 1.37 -0.17 2.44 1.43 0.03 -5.01 118.68 116.28 3gvl s LEU 620 Ca 0.05 0.21 -0.06 0.00 -1.03 0.00 0.00 54.13 53.30 3gvl s LEU 620 Cb -0.01 0.64 -0.04 0.00 0.03 0.00 0.00 46.19 46.81 3gvl s LEU 620 CO -0.01 -0.14 0.02 -0.60 0.23 0.00 0.00 176.35 175.84 3gvl s ARG 621 N -0.30 3.83 0.32 1.70 6.06 -1.26 -0.71 118.95 128.59 3gvl s ARG 621 Ca -0.04 -0.41 -0.29 0.00 -2.50 0.00 0.00 55.73 52.49 3gvl s ARG 621 Cb -0.03 -3.08 -0.10 0.00 0.06 0.00 0.00 34.95 31.80 3gvl s ARG 621 CO 0.01 0.28 1.24 -0.06 -2.50 0.00 0.00 175.30 174.27 3gvl s PHE 622 N 0.32 3.19 0.67 5.12 0.40 -0.61 -4.75 117.98 122.31 3gvl s PHE 622 Ca 0.00 1.50 -0.15 0.00 -0.60 0.00 0.00 56.93 57.68 3gvl s PHE 622 Cb -0.13 -3.56 0.00 0.00 0.51 0.00 0.00 43.02 39.84 3gvl s PHE 622 CO 0.01 -1.48 1.13 -1.25 0.70 0.00 0.00 175.22 174.33 3gvl s PRO 623 N -1.73 2.71 -0.75 0.24 0.04 -1.26 -4.13 135.00 130.12 3gvl s PRO 623 Ca 0.48 1.46 -0.01 0.00 0.04 0.00 0.00 61.00 62.96 3gvl s PRO 623 Cb -0.37 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.24 3gvl s PRO 623 CO 0.49 -1.33 0.16 0.72 0.04 0.00 0.00 177.00 177.08 3gvl n HIS 624 N -2.43 -0.70 -3.60 0.56 8.25 -1.26 -4.23 115.22 111.81 3gvl n HIS 624 Ca 0.11 0.13 -0.23 0.00 -0.26 0.00 0.00 57.72 57.47 3gvl n HIS 624 Cb 0.52 -2.49 0.04 0.00 1.12 0.00 0.00 29.99 29.18 3gvl n HIS 624 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3gvl n ASN 625 N -0.03 -3.61 -4.70 0.41 5.03 -1.26 -2.86 115.26 108.24 3gvl n ASN 625 Ca -0.08 -0.86 -0.43 0.00 0.87 0.00 0.00 54.58 54.08 3gvl n ASN 625 Cb 0.57 -4.07 -0.03 0.00 -1.02 0.00 0.00 39.78 35.22 3gvl n ASN 625 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 3gvl n VAL 626 N -4.03 0.05 -3.70 2.41 0.31 -1.26 -4.56 118.33 107.55 3gvl n VAL 626 Ca -0.19 -0.01 -0.10 0.00 -0.01 0.00 0.00 64.34 64.03 3gvl n VAL 626 Cb 0.64 -1.87 -0.05 0.00 -0.91 0.00 0.00 33.84 31.65 3gvl n VAL 626 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 3gvl s HIS 627 N 1.32 -0.10 0.00 3.52 -0.00 -1.26 -1.20 115.29 117.57 3gvl s HIS 627 Ca 0.77 -0.24 0.00 0.00 -0.00 0.00 0.00 55.06 55.59 3gvl s HIS 627 Cb -0.55 0.21 0.00 0.00 -0.00 0.00 0.00 32.58 32.24 3gvl s HIS 627 CO 0.35 -0.71 0.00 0.72 -0.00 0.00 0.00 174.74 175.09 3gvl n HIS 628 N -0.22 0.00 -4.80 0.38 8.25 0.64 -4.89 115.22 114.58 3gvl n HIS 628 Ca -0.14 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.05 3gvl n HIS 628 Cb 0.63 -0.48 -0.15 0.00 1.12 0.00 0.00 29.99 31.11 3gvl n HIS 628 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 3gvl s THR 629 N -2.48 1.72 0.66 1.59 -1.32 -1.26 -4.83 115.64 109.72 3gvl s THR 629 Ca 0.00 -1.12 -0.11 0.00 -1.21 0.00 0.00 61.69 59.25 3gvl s THR 629 Cb 0.00 -1.47 -0.02 0.00 -1.51 0.00 0.00 72.50 69.50 3gvl s THR 629 CO 0.00 0.31 1.05 0.42 -2.21 0.00 0.00 174.62 174.19 3gvl s THR 630 N -0.70 4.32 -0.57 5.08 -4.23 -1.26 -4.37 115.64 113.92 3gvl s THR 630 Ca 0.08 0.75 0.07 0.00 -1.18 0.00 0.00 61.69 61.41 3gvl s THR 630 Cb -0.09 -3.67 0.27 0.00 1.34 0.00 0.00 72.50 70.35 3gvl s THR 630 CO 0.01 -0.99 0.73 0.18 -0.54 0.00 0.00 174.62 174.01 3gvl n LEU 631 N -2.91 3.02 -4.73 4.79 4.77 -1.26 -4.50 117.00 116.18 3gvl n LEU 631 Ca 0.07 -5.31 -0.35 0.00 -0.03 0.00 0.00 56.01 50.39 3gvl n LEU 631 Cb 0.54 -0.33 0.08 0.00 -2.33 0.00 0.00 43.42 41.38 3gvl n LEU 631 CO 0.57 2.11 0.81 -2.16 -1.33 0.00 0.00 177.39 177.39 3gvl s PRO 632 N -2.36 2.37 0.21 3.23 0.04 -1.23 -4.68 135.00 132.59 3gvl s PRO 632 Ca 0.40 1.76 -0.22 0.00 0.04 0.00 0.00 61.00 62.98 3gvl s PRO 632 Cb 0.18 -1.86 0.05 0.00 0.04 0.00 0.00 34.50 32.91 3gvl s PRO 632 CO -0.05 -1.65 0.65 -0.59 0.04 0.00 0.00 177.00 175.39 3gvl s PHE 633 N -1.91 -0.37 0.11 0.56 -0.12 -1.26 -1.61 117.98 113.37 3gvl s PHE 633 Ca 0.75 0.05 0.00 0.00 -0.05 0.00 0.00 56.93 57.68 3gvl s PHE 633 Cb -0.29 0.62 -0.04 0.00 -0.63 0.00 0.00 43.02 42.67 3gvl s PHE 633 CO 0.42 -1.02 -0.02 0.00 -0.05 0.00 0.00 175.22 174.56 3gvl s ALA 634 N -3.83 0.91 -0.23 1.99 0.00 -0.84 -4.82 121.76 114.95 3gvl s ALA 634 Ca 0.06 -1.39 -0.08 0.00 0.00 0.00 0.00 51.96 50.55 3gvl s ALA 634 Cb -0.03 0.41 -0.04 0.00 0.00 0.00 0.00 23.12 23.46 3gvl s ALA 634 CO -0.04 -0.34 0.09 0.21 0.00 0.00 0.00 175.76 175.69 3gvl s LYS 635 N -3.92 3.85 -0.19 0.00 2.20 -1.26 -0.61 119.74 119.83 3gvl s LYS 635 Ca 0.15 -0.39 -0.00 0.00 -0.36 0.00 0.00 55.97 55.38 3gvl s LYS 635 Cb 0.07 -3.36 0.05 0.00 -1.51 0.00 0.00 37.83 33.07 3gvl s LYS 635 CO -0.03 0.00 -0.06 0.08 -0.36 0.00 0.00 175.35 174.98 3gvl s VAL 636 N 1.14 1.29 0.00 4.02 1.01 0.17 -5.00 120.40 123.02 3gvl s VAL 636 Ca 0.05 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.22 3gvl s VAL 636 Cb -0.14 -1.47 0.00 0.00 0.00 0.00 0.00 36.38 34.77 3gvl s VAL 636 CO 0.04 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.84 3gvl n GLY 637 N 4.80 3.55 0.37 4.51 0.00 -1.26 -1.99 105.19 115.18 3gvl n GLY 637 Ca -0.13 -0.11 0.14 0.00 0.00 0.00 0.00 46.02 45.92 3gvl n GLY 637 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gvl n ASP 638 N 4.65 1.15 -4.57 1.61 8.00 -1.26 -4.88 116.55 121.25 3gvl n ASP 638 Ca 0.00 -1.41 -0.34 0.00 0.71 0.00 0.00 54.79 53.74 3gvl n ASP 638 Cb 0.00 -0.01 -0.11 0.00 -0.02 0.00 0.00 41.12 40.98 3gvl n ASP 638 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3gvl s ASP 639 N -1.94 4.89 0.03 -2.24 1.01 -0.84 -0.59 116.67 116.99 3gvl s ASP 639 Ca 0.39 -0.02 -0.30 0.00 0.71 0.00 0.00 52.55 53.33 3gvl s ASP 639 Cb 0.21 -1.53 -0.04 0.00 1.01 0.00 0.00 42.92 42.57 3gvl s ASP 639 CO 0.33 0.28 0.98 -0.76 0.21 0.00 0.00 175.17 176.22 3gvl s LEU 640 N -0.31 4.40 -0.28 1.23 1.43 0.09 -0.66 118.68 124.59 3gvl s LEU 640 Ca 0.05 1.71 -0.03 0.00 -1.03 0.00 0.00 54.13 54.84 3gvl s LEU 640 Cb -0.12 -3.58 0.03 0.00 0.03 0.00 0.00 46.19 42.55 3gvl s LEU 640 CO 0.02 -0.22 -0.01 -0.63 0.23 0.00 0.00 176.35 175.74 3gvl s ILE 641 N 0.75 3.12 0.02 -0.59 1.01 0.22 -0.98 121.20 124.76 3gvl s ILE 641 Ca 0.51 -1.08 0.05 0.00 0.00 0.00 0.00 60.65 60.13 3gvl s ILE 641 Cb -0.22 -2.66 -0.03 0.00 0.01 0.00 0.00 42.46 39.56 3gvl s ILE 641 CO 0.29 0.07 -0.14 -0.04 0.00 0.00 0.00 174.94 175.12 3gvl s MET 642 N 1.33 2.28 0.03 2.79 -1.94 -0.22 -1.98 119.30 121.60 3gvl s MET 642 Ca -0.01 -0.87 0.08 0.00 -1.71 0.00 0.00 55.69 53.18 3gvl s MET 642 Cb -0.18 -2.32 -0.02 0.00 2.01 0.00 0.00 34.83 34.32 3gvl s MET 642 CO -0.02 0.57 -0.22 -0.06 -0.01 0.00 0.00 175.02 175.27 3gvl s PHE 643 N -0.94 1.96 0.16 -0.03 0.40 -0.64 -0.97 117.98 117.92 3gvl s PHE 643 Ca 0.15 -0.38 -0.14 0.00 -0.60 0.00 0.00 56.93 55.96 3gvl s PHE 643 Cb -0.11 -1.19 0.02 0.00 0.51 0.00 0.00 43.02 42.25 3gvl s PHE 643 CO 0.06 0.08 0.39 0.20 0.70 0.00 0.00 175.22 176.65 3gvl s GLY 644 N -1.08 0.03 -0.03 4.36 0.00 -0.49 -3.47 107.32 106.64 3gvl s GLY 644 Ca 0.09 -0.39 -0.01 0.00 0.00 0.00 0.00 44.72 44.41 3gvl s GLY 644 CO 0.01 -0.48 0.05 -0.56 0.00 0.00 0.00 173.10 172.12 3gvl s SER 645 N -2.88 0.18 0.66 1.64 0.01 -1.26 -0.48 113.70 111.58 3gvl s SER 645 Ca 0.09 0.08 -0.16 0.00 1.31 0.00 0.00 55.95 57.26 3gvl s SER 645 Cb 0.02 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.20 3gvl s SER 645 CO -0.05 -0.15 1.18 -1.83 0.41 0.00 0.00 173.24 172.80 3gvl s GLU 646 N 1.23 2.61 0.19 12.44 -1.05 -0.85 -4.57 118.70 128.70 3gvl s GLU 646 Ca -0.07 1.70 0.20 0.00 -0.15 0.00 0.00 54.97 56.65 3gvl s GLU 646 Cb -0.13 -1.90 -0.00 0.00 -0.44 0.00 0.00 34.13 31.66 3gvl s GLU 646 CO -0.03 -1.45 1.07 0.00 0.95 0.00 0.00 175.26 175.79 3gvl h ARG 647 N 0.24 0.00 -3.68 -4.83 2.47 -1.88 -3.42 114.38 103.27 3gvl h ARG 647 Ca -0.48 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.16 3gvl h ARG 647 Cb 1.28 0.00 -0.13 0.00 -1.65 0.00 0.00 29.97 29.47 3gvl h ARG 647 CO 0.53 0.13 -0.26 0.00 0.56 0.00 0.00 179.97 180.92 3gvl s ALA 648 N -3.18 -0.42 0.39 0.04 0.00 -1.26 -4.64 121.76 112.69 3gvl s ALA 648 Ca -0.00 -0.49 -0.27 0.00 0.00 0.00 0.00 51.96 51.20 3gvl s ALA 648 Cb 0.09 0.62 -0.10 0.00 0.00 0.00 0.00 23.12 23.72 3gvl s ALA 648 CO 0.78 -0.58 1.48 -2.00 0.00 0.00 0.00 175.76 175.44 3gvl s GLU 649 N -3.86 4.02 -1.22 0.00 2.12 -1.26 -3.28 118.70 115.21 3gvl s GLU 649 Ca 0.06 2.56 0.00 0.00 0.36 0.00 0.00 54.97 57.95 3gvl s GLU 649 Cb 0.04 -2.90 0.00 0.00 0.26 0.00 0.00 34.13 31.52 3gvl s GLU 649 CO -0.09 -0.60 0.00 0.09 -0.54 0.00 0.00 175.26 174.12 3gvl n ASN 650 N 0.32 -4.31 -0.00 -1.70 5.03 -1.26 -4.75 115.26 108.58 3gvl n ASN 650 Ca 0.02 0.04 0.09 0.00 0.87 0.00 0.00 54.58 55.59 3gvl n ASN 650 Cb 0.40 -3.42 -0.12 0.00 -1.02 0.00 0.00 39.78 35.61 3gvl n ASN 650 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3gvl n GLU 651 N -2.36 0.71 -0.02 3.52 1.02 -1.20 -4.67 120.64 117.64 3gvl n GLU 651 Ca -0.16 -0.05 -0.11 0.00 -0.02 0.00 0.00 57.16 56.82 3gvl n GLU 651 Cb 0.60 -1.41 -0.05 0.00 -0.02 0.00 0.00 31.44 30.56 3gvl n GLU 651 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 3gvl h TRP 652 N 0.00 0.17 -4.12 -0.32 2.91 -1.91 -3.44 115.95 109.23 3gvl h TRP 652 Ca 0.00 0.00 -0.54 0.00 1.13 0.00 0.00 58.89 59.48 3gvl h TRP 652 Cb 0.57 -0.06 0.14 0.00 -0.51 0.00 0.00 29.16 29.31 3gvl h TRP 652 CO 0.00 0.11 0.48 -1.21 -1.03 0.00 0.00 178.44 176.79 3gvl s GLU 653 N -6.14 2.63 0.26 2.65 8.01 -1.26 -4.58 118.70 120.27 3gvl s GLU 653 Ca -0.13 1.92 -0.31 0.00 0.01 0.00 0.00 54.97 56.46 3gvl s GLU 653 Cb 0.07 -1.87 -0.13 0.00 -4.31 0.00 0.00 34.13 27.90 3gvl s GLU 653 CO 0.68 -1.50 1.49 0.00 0.01 0.00 0.00 175.26 175.94 3gvl n ALA 654 N -1.94 1.74 -0.50 5.21 0.00 -1.14 -2.07 120.51 121.81 3gvl n ALA 654 Ca 0.15 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.98 3gvl n ALA 654 Cb 0.49 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.58 3gvl n ALA 654 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gvl n GLY 655 N 2.18 1.99 3.69 0.00 0.00 -0.21 -5.00 105.19 107.85 3gvl n GLY 655 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3gvl n GLY 655 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gvl s ALA 656 N -3.50 3.55 0.63 4.61 0.00 -0.88 -4.99 121.76 121.19 3gvl s ALA 656 Ca 0.00 0.85 -0.15 0.00 0.00 0.00 0.00 51.96 52.66 3gvl s ALA 656 Cb 0.00 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.54 3gvl s ALA 656 CO 0.00 -0.83 1.08 -1.25 0.00 0.00 0.00 175.76 174.76 3gvl s PRO 657 N 2.16 3.05 0.43 0.00 0.04 -1.26 -4.86 135.00 134.57 3gvl s PRO 657 Ca 0.62 1.26 -0.26 0.00 0.04 0.00 0.00 61.00 62.66 3gvl s PRO 657 Cb -0.30 -1.99 -0.09 0.00 0.04 0.00 0.00 34.50 32.15 3gvl s PRO 657 CO 0.26 -1.03 1.35 -0.25 0.04 0.00 0.00 177.00 177.37 3gvl n ASP 658 N -2.32 2.96 -3.37 6.66 8.00 -1.26 -4.67 116.55 122.56 3gvl n ASP 658 Ca 0.09 1.12 -0.26 0.00 0.71 0.00 0.00 54.79 56.46 3gvl n ASP 658 Cb 0.53 -1.55 -0.08 0.00 -0.02 0.00 0.00 41.12 39.99 3gvl n ASP 658 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3gvl n ASP 659 N 0.07 2.49 -4.87 -2.24 2.03 -1.26 -5.10 116.55 107.66 3gvl n ASP 659 Ca 0.06 -3.17 -0.25 0.00 0.52 0.00 0.00 54.79 51.94 3gvl n ASP 659 Cb 0.40 -0.66 -0.02 0.00 -0.72 0.00 0.00 41.12 40.12 3gvl n ASP 659 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3gvl s ARG 660 N -1.96 2.29 -0.87 -0.67 1.81 -1.26 -4.68 118.95 113.61 3gvl s ARG 660 Ca 0.37 -1.94 0.00 0.00 -1.72 0.00 0.00 55.73 52.44 3gvl s ARG 660 Cb 0.14 -2.11 0.00 0.00 -0.45 0.00 0.00 34.95 32.54 3gvl s ARG 660 CO -0.05 -0.49 0.00 0.66 -0.68 0.00 0.00 175.30 174.74 3gvl n TYR 661 N -1.65 0.00 -3.68 -0.53 4.02 -1.25 -4.98 117.16 109.08 3gvl n TYR 661 Ca -0.01 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.73 3gvl n TYR 661 Cb 0.64 -1.72 -0.08 0.00 -0.02 0.00 0.00 39.34 38.16 3gvl n TYR 661 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 176.86 174.26 3gvl s LYS 662 N -2.55 0.76 0.39 -0.72 -2.85 -1.23 -4.87 119.74 108.67 3gvl s LYS 662 Ca 0.00 0.09 -0.27 0.00 -1.00 0.00 0.00 55.97 54.79 3gvl s LYS 662 Cb 0.00 0.35 -0.09 0.00 -2.06 0.00 0.00 37.83 36.03 3gvl s LYS 662 CO 0.00 -0.21 1.34 0.00 0.10 0.00 0.00 175.35 176.58 3gvl s ALA 663 N -1.02 3.35 0.39 0.59 0.00 -1.23 -4.33 121.76 119.52 3gvl s ALA 663 Ca -0.10 1.30 -0.13 0.00 0.00 0.00 0.00 51.96 53.03 3gvl s ALA 663 Cb -0.03 -3.51 0.05 0.00 0.00 0.00 0.00 23.12 19.63 3gvl s ALA 663 CO 0.05 -0.84 0.74 -1.54 0.00 0.00 0.00 175.76 174.18 3gvl s SER 664 N -0.59 0.21 -0.69 0.00 1.04 -0.74 -5.01 113.70 107.92 3gvl s SER 664 Ca 0.55 -1.26 0.05 0.00 0.48 0.00 0.00 55.95 55.77 3gvl s SER 664 Cb -0.40 0.83 0.18 0.00 0.10 0.00 0.00 66.02 66.74 3gvl s SER 664 CO 0.52 -1.66 0.53 -1.22 0.98 0.00 0.00 173.24 172.39 3gvl n TYR 665 N -0.55 3.15 -1.83 5.02 4.01 -1.26 -1.24 117.16 124.47 3gvl n TYR 665 Ca -0.07 -4.26 -0.40 0.00 -0.16 0.00 0.00 57.90 53.01 3gvl n TYR 665 Cb 0.60 -0.59 0.01 0.00 -0.31 0.00 0.00 39.34 39.06 3gvl n TYR 665 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 3gvl s PRO 666 N -1.56 3.76 0.05 -0.72 0.04 -1.10 -4.60 135.00 130.87 3gvl s PRO 666 Ca 0.27 2.40 -0.26 0.00 0.04 0.00 0.00 61.00 63.46 3gvl s PRO 666 Cb -0.01 -2.70 -0.05 0.00 0.04 0.00 0.00 34.50 31.77 3gvl s PRO 666 CO -0.15 -0.75 0.79 1.03 0.04 0.00 0.00 177.00 177.96 3gvl s ARG 667 N -2.39 4.52 -0.13 4.56 0.52 -1.26 -0.93 118.95 123.85 3gvl s ARG 667 Ca 0.60 1.12 -0.04 0.00 -0.52 0.00 0.00 55.73 56.88 3gvl s ARG 667 Cb -0.43 -3.37 -0.04 0.00 0.52 0.00 0.00 34.95 31.64 3gvl s ARG 667 CO 0.56 0.27 0.03 0.99 0.02 0.00 0.00 175.30 177.18 3gvl s THR 668 N -0.05 4.56 0.17 0.02 2.01 -0.19 -2.01 115.64 120.16 3gvl s THR 668 Ca 0.40 -0.14 0.09 0.00 0.31 0.00 0.00 61.69 62.34 3gvl s THR 668 Cb -0.21 -2.98 -0.04 0.00 0.01 0.00 0.00 72.50 69.28 3gvl s THR 668 CO 0.24 0.55 -0.18 -0.36 -0.69 0.00 0.00 174.62 174.18 3gvl s PHE 669 N -0.39 1.86 0.18 4.92 0.08 0.37 -1.78 117.98 123.22 3gvl s PHE 669 Ca 0.08 -0.46 0.05 0.00 0.12 0.00 0.00 56.93 56.72 3gvl s PHE 669 Cb -0.12 -0.92 -0.05 0.00 -0.57 0.00 0.00 43.02 41.37 3gvl s PHE 669 CO 0.02 0.36 -0.09 1.52 -0.10 0.00 0.00 175.22 176.93 3gvl s TYR 670 N -2.10 1.43 0.04 0.36 1.13 -0.53 -1.40 117.35 116.29 3gvl s TYR 670 Ca 0.17 -0.75 -0.11 0.00 -1.41 0.00 0.00 57.07 54.96 3gvl s TYR 670 Cb -0.05 -0.74 0.01 0.00 -1.10 0.00 0.00 41.96 40.07 3gvl s TYR 670 CO 0.07 0.12 0.24 0.00 -2.51 0.00 0.00 175.55 173.47 3gvl s ALA 671 N -3.27 -0.48 -0.07 9.51 0.00 -0.15 -0.52 121.76 126.78 3gvl s ALA 671 Ca 0.21 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 51.98 3gvl s ALA 671 Cb 0.03 0.31 -0.03 0.00 0.00 0.00 0.00 23.12 23.43 3gvl s ALA 671 CO 0.04 -0.39 -0.06 1.03 0.00 0.00 0.00 175.76 176.38 3gvl s ARG 672 N -2.65 2.78 -0.10 0.00 0.52 -1.26 -1.06 118.95 117.19 3gvl s ARG 672 Ca -0.04 -0.53 -0.01 0.00 -0.52 0.00 0.00 55.73 54.63 3gvl s ARG 672 Cb -0.01 -2.62 0.03 0.00 0.52 0.00 0.00 34.95 32.87 3gvl s ARG 672 CO -0.04 0.67 -0.05 -1.17 0.02 0.00 0.00 175.30 174.73 3gvl s LEU 673 N -0.84 0.98 -0.21 2.53 0.20 -0.15 -4.72 118.68 116.46 3gvl s LEU 673 Ca 0.13 -0.22 -0.29 0.00 0.69 0.00 0.00 54.13 54.44 3gvl s LEU 673 Cb -0.11 -0.69 -0.00 0.00 -0.43 0.00 0.00 46.19 44.96 3gvl s LEU 673 CO 0.02 -0.14 1.20 0.21 -0.29 0.00 0.00 176.35 177.35 3gvl s ASN 674 N 1.77 6.94 0.46 3.68 3.84 -1.26 -0.73 114.94 129.65 3gvl s ASN 674 Ca 0.04 1.51 0.25 0.00 0.21 0.00 0.00 52.86 54.87 3gvl s ASN 674 Cb -0.13 -2.54 1.09 0.00 -0.55 0.00 0.00 41.25 39.13 3gvl s ASN 674 CO -0.07 -0.79 1.91 -0.37 -2.79 0.00 0.00 177.10 174.98 3gvl h VAL 675 N 5.57 0.58 -0.27 -5.21 -1.51 -1.22 -2.38 116.25 111.80 3gvl h VAL 675 Ca -0.24 -0.95 -0.11 0.00 -1.23 0.00 0.00 66.70 64.17 3gvl h VAL 675 Cb 1.09 1.63 -0.00 0.00 -2.13 0.00 0.00 31.29 31.87 3gvl h VAL 675 CO 0.99 0.20 -0.27 0.78 -1.23 0.00 0.00 177.57 178.03 3gvl h ASN 676 N 0.00 0.70 0.74 4.19 -0.26 -1.92 -3.26 115.58 115.78 3gvl h ASN 676 Ca -0.00 -0.47 -0.14 0.00 -0.56 0.00 0.00 56.30 55.12 3gvl h ASN 676 Cb 0.61 -0.20 -0.02 0.00 -1.06 0.00 0.00 38.32 37.66 3gvl h ASN 676 CO 0.03 1.03 -0.66 0.78 -1.06 0.00 0.00 177.43 177.55 3gvl h ASN 677 N 0.38 0.00 -6.85 5.81 2.35 -1.90 -3.47 115.58 111.90 3gvl h ASN 677 Ca 0.04 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.22 3gvl h ASN 677 Cb 0.84 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 39.10 3gvl h ASN 677 CO 0.07 0.66 -0.96 1.87 -1.65 0.00 0.00 177.43 177.42 3gvl n TRP 678 N -3.67 -1.43 -3.67 1.19 -0.00 -0.92 -4.97 117.44 103.97 3gvl n TRP 678 Ca -0.01 0.50 -0.12 0.00 -0.00 0.00 0.00 57.50 57.87 3gvl n TRP 678 Cb 0.67 -3.06 -0.13 0.00 -0.00 0.00 0.00 31.31 28.79 3gvl n TRP 678 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 3gvl s ASN 679 N -4.12 0.13 0.00 5.87 4.22 -1.26 -5.02 114.94 114.75 3gvl s ASN 679 Ca 0.15 0.66 0.22 0.00 -2.14 0.00 0.00 52.86 51.75 3gvl s ASN 679 Cb -0.08 0.76 0.52 0.00 1.28 0.00 0.00 41.25 43.73 3gvl s ASN 679 CO 0.96 -0.23 1.45 0.00 -2.04 0.00 0.00 177.10 177.24 3gvl n ALA 680 N 5.14 2.42 -0.33 3.54 0.00 -1.26 -4.50 120.51 125.52 3gvl n ALA 680 Ca -0.10 -1.00 0.07 0.00 0.00 0.00 0.00 53.44 52.41 3gvl n ALA 680 Cb 0.50 -0.93 0.23 0.00 0.00 0.00 0.00 19.45 19.26 3gvl n ALA 680 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3gvl h ASP 681 N 4.00 0.74 -0.51 0.00 5.19 -1.96 -2.09 116.42 121.79 3gvl h ASP 681 Ca 0.00 0.07 -0.05 0.00 -0.62 0.00 0.00 57.03 56.43 3gvl h ASP 681 Cb 0.89 -0.07 -0.03 0.00 0.18 0.00 0.00 39.33 40.31 3gvl h ASP 681 CO 0.00 0.36 0.05 -0.90 -3.12 0.00 0.00 179.24 175.63 3gvl n ASP 682 N -4.74 4.93 -4.68 6.45 5.75 -1.26 -4.89 116.55 118.10 3gvl n ASP 682 Ca 0.18 -3.05 -0.41 0.00 -0.01 0.00 0.00 54.79 51.50 3gvl n ASP 682 Cb 0.40 -0.66 0.01 0.00 -1.03 0.00 0.00 41.12 39.84 3gvl n ASP 682 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3gvl n ILE 683 N 0.08 2.55 -3.99 2.12 3.06 -0.79 -4.97 119.36 117.42 3gvl n ILE 683 Ca 0.29 -0.50 -0.32 0.00 -2.50 0.00 0.00 62.75 59.72 3gvl n ILE 683 Cb 1.14 -1.45 -0.14 0.00 0.54 0.00 0.00 39.64 39.73 3gvl n ILE 683 CO 0.00 0.00 0.00 -1.61 -2.50 0.00 0.00 176.55 172.44 3gvl s GLU 684 N -2.16 1.74 -0.19 9.51 2.02 -1.26 -5.08 118.70 123.29 3gvl s GLU 684 Ca 0.62 -1.74 -0.27 0.00 0.02 0.00 0.00 54.97 53.59 3gvl s GLU 684 Cb -0.52 -3.21 -0.00 0.00 0.10 0.00 0.00 34.13 30.50 3gvl s GLU 684 CO 0.57 -0.88 0.94 -1.58 0.02 0.00 0.00 175.26 174.34 3gvl s TRP 685 N 0.99 3.39 -0.27 1.61 0.52 -1.26 -4.45 118.94 119.47 3gvl s TRP 685 Ca 0.06 1.38 -0.04 0.00 0.02 0.00 0.00 56.10 57.52 3gvl s TRP 685 Cb -0.20 -3.14 0.02 0.00 -1.15 0.00 0.00 33.47 29.00 3gvl s TRP 685 CO -0.07 -0.34 0.01 0.08 0.02 0.00 0.00 176.95 176.65 3gvl s VAL 686 N 2.59 3.46 -0.36 4.03 1.01 0.32 -1.31 120.40 130.14 3gvl s VAL 686 Ca 0.42 -0.84 -0.29 0.00 0.00 0.00 0.00 61.98 61.27 3gvl s VAL 686 Cb -0.16 -2.77 0.00 0.00 0.00 0.00 0.00 36.38 33.45 3gvl s VAL 686 CO 0.11 0.14 1.44 0.21 0.00 0.00 0.00 175.10 177.00 3gvl s ASN 687 N 1.42 6.39 -0.01 3.32 2.47 0.16 -1.45 114.94 127.23 3gvl s ASN 687 Ca 0.02 1.05 0.12 0.00 0.42 0.00 0.00 52.86 54.47 3gvl s ASN 687 Cb -0.17 -2.54 -0.18 0.00 -1.45 0.00 0.00 41.25 36.92 3gvl s ASN 687 CO -0.01 -1.35 0.28 2.30 -3.72 0.00 0.00 177.10 174.60 3gvl n ILE 688 N 6.81 0.00 -3.51 -5.21 -5.35 -0.74 -1.52 119.36 109.84 3gvl n ILE 688 Ca 0.17 -0.27 -0.17 0.00 -0.27 0.00 0.00 62.75 62.21 3gvl n ILE 688 Cb 0.47 0.30 -0.06 0.00 -1.74 0.00 0.00 39.64 38.62 3gvl n ILE 688 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 3gvl s THR 689 N -2.75 0.00 -0.02 7.28 -1.32 -1.24 -4.98 115.64 112.62 3gvl s THR 689 Ca -0.04 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.50 3gvl s THR 689 Cb 0.08 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 70.04 3gvl s THR 689 CO 0.49 0.00 -0.18 -1.81 -2.21 0.00 0.00 174.62 170.90 3gvl s ASP 690 N -1.30 3.71 0.49 8.08 1.01 -1.26 -1.02 116.67 126.39 3gvl s ASP 690 Ca -0.10 -0.32 0.05 0.00 0.71 0.00 0.00 52.55 52.89 3gvl s ASP 690 Cb -0.00 -0.65 0.05 0.00 1.01 0.00 0.00 42.92 43.33 3gvl s ASP 690 CO 0.08 0.32 0.43 0.00 0.21 0.00 0.00 175.17 176.21 3gvl n GLN 691 N 2.16 0.75 -4.92 8.23 3.00 -0.11 -4.97 117.38 121.52 3gvl n GLN 691 Ca -0.17 -3.01 -0.33 0.00 -0.01 0.00 0.00 57.00 53.49 3gvl n GLN 691 Cb 0.52 0.23 -0.15 0.00 0.00 0.00 0.00 30.24 30.85 3gvl n GLN 691 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 3gvl s ILE 692 N -2.39 2.83 -0.23 5.09 1.01 -1.26 -2.73 121.20 123.52 3gvl s ILE 692 Ca 0.32 -0.77 -0.07 0.00 0.00 0.00 0.00 60.65 60.14 3gvl s ILE 692 Cb -0.03 -2.14 -0.03 0.00 0.01 0.00 0.00 42.46 40.28 3gvl s ILE 692 CO 0.21 0.55 0.05 -0.47 0.00 0.00 0.00 174.94 175.27 3gvl s TYR 693 N -0.02 3.08 0.07 3.97 6.14 -0.37 -1.00 117.35 129.21 3gvl s TYR 693 Ca -0.04 -0.40 -0.18 0.00 0.64 0.00 0.00 57.07 57.09 3gvl s TYR 693 Cb -0.14 -2.18 -0.12 0.00 0.42 0.00 0.00 41.96 39.94 3gvl s TYR 693 CO 0.04 -0.29 1.37 0.37 0.64 0.00 0.00 175.55 177.68 3gvl h GLN 694 N 7.89 0.53 0.00 4.97 -0.00 -1.86 -1.96 115.11 124.68 3gvl h GLN 694 Ca -0.38 -0.29 0.00 0.00 -0.00 0.00 0.00 58.65 57.98 3gvl h GLN 694 Cb 1.17 0.02 0.00 0.00 0.00 0.00 0.00 27.48 28.67 3gvl h GLN 694 CO 0.60 0.88 0.00 0.41 0.00 0.00 0.00 178.83 180.72 3gvl n GLY 695 N 0.23 0.70 0.26 2.39 0.00 -1.26 -3.47 105.19 104.04 3gvl n GLY 695 Ca -0.05 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.12 3gvl n GLY 695 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3gvl h GLY 696 N 0.00 0.00 -2.79 -0.02 0.00 -1.91 -3.27 103.07 95.07 3gvl h GLY 696 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.10 3gvl h GLY 696 CO 0.00 0.00 -0.65 -0.26 0.00 0.00 0.00 176.54 175.63 3gvl s ILE 697 N -3.55 0.33 0.27 2.60 -4.36 -1.26 -4.66 121.20 110.57 3gvl s ILE 697 Ca 0.02 -1.94 0.02 0.00 -0.26 0.00 0.00 60.65 58.49 3gvl s ILE 697 Cb 0.08 -2.10 0.05 0.00 1.25 0.00 0.00 42.46 41.74 3gvl s ILE 697 CO 0.59 -0.44 1.69 1.62 0.24 0.00 0.00 174.94 178.63 3gvl h VAL 698 N 2.78 1.28 -4.14 8.37 3.04 -1.99 -3.40 116.25 122.19 3gvl h VAL 698 Ca -0.36 -1.37 -0.50 0.00 -1.01 0.00 0.00 66.70 63.46 3gvl h VAL 698 Cb 1.20 1.44 0.08 0.00 -2.01 0.00 0.00 31.29 32.00 3gvl h VAL 698 CO 0.60 0.43 0.40 0.20 -1.01 0.00 0.00 177.57 178.20 3gvl s ASN 699 N -6.83 5.46 -0.05 3.17 -0.87 -1.26 -4.81 114.94 109.76 3gvl s ASN 699 Ca -0.07 2.08 0.02 0.00 -1.57 0.00 0.00 52.86 53.32 3gvl s ASN 699 Cb 0.13 -2.57 0.01 0.00 -0.02 0.00 0.00 41.25 38.81 3gvl s ASN 699 CO 0.80 -1.39 -0.09 -0.55 -2.57 0.00 0.00 177.10 173.29 3gvl s SER 700 N -2.18 1.42 0.00 -1.22 0.15 -1.26 -4.88 113.70 105.72 3gvl s SER 700 Ca 0.70 -0.23 0.29 0.00 0.70 0.00 0.00 55.95 57.41 3gvl s SER 700 Cb -0.22 -0.60 1.32 0.00 -1.71 0.00 0.00 66.02 64.82 3gvl s SER 700 CO 0.34 0.02 1.90 0.61 1.20 0.00 0.00 173.24 177.30 3gvl n GLY 701 N 3.73 -0.32 3.74 9.45 0.00 -1.26 -4.94 105.19 115.59 3gvl n GLY 701 Ca -0.23 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 3gvl n GLY 701 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gvl s VAL 702 N -2.00 2.68 0.00 1.61 1.01 -1.26 -3.90 120.40 118.54 3gvl s VAL 702 Ca 0.41 0.54 0.00 0.00 0.00 0.00 0.00 61.98 62.93 3gvl s VAL 702 Cb 0.21 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 33.25 3gvl s VAL 702 CO 0.35 0.07 0.00 0.61 0.00 0.00 0.00 175.10 176.13 3gvl n GLY 703 N 2.71 0.45 3.71 4.51 0.00 -0.19 -4.72 105.19 111.65 3gvl n GLY 703 Ca 0.09 -0.91 -0.25 0.00 0.00 0.00 0.00 46.02 44.95 3gvl n GLY 703 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3gvl n VAL 704 N 0.00 -1.98 -1.88 1.61 0.24 -1.26 -1.64 118.33 113.42 3gvl n VAL 704 Ca 0.00 -0.22 0.00 0.00 -2.04 0.00 0.00 64.34 62.08 3gvl n VAL 704 Cb 0.00 -1.73 0.00 0.00 -1.47 0.00 0.00 33.84 30.64 3gvl n VAL 704 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gvl n GLY 705 N -1.53 4.00 3.42 7.63 0.00 -1.26 -1.58 105.19 115.88 3gvl n GLY 705 Ca -0.15 -1.93 -0.16 0.00 0.00 0.00 0.00 46.02 43.79 3gvl n GLY 705 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gvl s SER 706 N -0.01 -0.50 -0.03 1.61 0.15 0.06 -3.13 113.70 111.86 3gvl s SER 706 Ca 0.00 0.42 0.03 0.00 0.70 0.00 0.00 55.95 57.10 3gvl s SER 706 Cb 0.00 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.79 3gvl s SER 706 CO 0.00 -0.62 -0.11 -0.69 1.20 0.00 0.00 173.24 173.02 3gvl s VAL 707 N -1.65 0.96 0.08 4.45 1.01 -1.26 -0.52 120.40 123.47 3gvl s VAL 707 Ca -0.10 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.43 3gvl s VAL 707 Cb -0.01 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 3gvl s VAL 707 CO 0.05 0.29 -0.06 0.68 0.00 0.00 0.00 175.10 176.06 3gvl s VAL 708 N 0.10 0.55 -0.10 2.92 -7.23 -0.57 -4.80 120.40 111.27 3gvl s VAL 708 Ca -0.02 -1.82 0.00 0.00 -1.81 0.00 0.00 61.98 58.33 3gvl s VAL 708 Cb -0.09 -1.53 -0.02 0.00 0.56 0.00 0.00 36.38 35.29 3gvl s VAL 708 CO 0.01 -0.86 -0.11 -0.69 -0.31 0.00 0.00 175.10 173.14 3gvl s VAL 709 N -3.49 3.33 -0.08 1.32 1.01 -1.26 -0.48 120.40 120.75 3gvl s VAL 709 Ca 0.08 -0.59 -0.00 0.00 0.00 0.00 0.00 61.98 61.47 3gvl s VAL 709 Cb 0.05 -2.38 0.02 0.00 0.00 0.00 0.00 36.38 34.07 3gvl s VAL 709 CO -0.06 0.55 -0.05 -0.75 0.00 0.00 0.00 175.10 174.80 3gvl s LYS 710 N -0.17 1.05 5.20 2.72 2.20 -0.34 -4.90 119.74 125.51 3gvl s LYS 710 Ca 0.01 -0.11 0.00 0.00 -0.36 0.00 0.00 55.97 55.51 3gvl s LYS 710 Cb -0.13 -1.18 0.00 0.00 -1.51 0.00 0.00 37.83 35.01 3gvl s LYS 710 CO 0.03 -0.21 0.00 -0.25 -0.36 0.00 0.00 175.35 174.56 3gvl n ASP 711 N 4.70 0.00 -2.23 1.43 8.00 -1.26 -1.94 116.55 125.25 3gvl n ASP 711 Ca -0.14 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.04 3gvl n ASP 711 Cb 0.50 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.69 3gvl n ASP 711 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3gvl n ASN 712 N 3.14 6.74 -4.17 -2.24 3.02 -1.26 -4.90 115.26 115.58 3gvl n ASN 712 Ca 0.00 -3.77 -0.24 0.00 -0.03 0.00 0.00 54.58 50.54 3gvl n ASN 712 Cb 0.00 -0.86 -0.15 0.00 -0.61 0.00 0.00 39.78 38.17 3gvl n ASN 712 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3gvl s TYR 713 N -3.73 1.51 0.01 3.10 2.02 -0.82 -0.74 117.35 118.70 3gvl s TYR 713 Ca 0.61 -0.31 0.02 0.00 -0.37 0.00 0.00 57.07 57.03 3gvl s TYR 713 Cb 0.49 -0.94 -0.04 0.00 -0.40 0.00 0.00 41.96 41.07 3gvl s TYR 713 CO 0.01 0.01 -0.02 -1.50 -1.57 0.00 0.00 175.55 172.48 3gvl s ILE 714 N -0.53 4.00 -0.10 2.71 2.07 0.30 -1.20 121.20 128.44 3gvl s ILE 714 Ca 0.06 -0.68 0.01 0.00 -1.41 0.00 0.00 60.65 58.63 3gvl s ILE 714 Cb -0.07 -2.78 0.02 0.00 0.13 0.00 0.00 42.46 39.75 3gvl s ILE 714 CO 0.00 0.36 -0.12 -0.31 -1.91 0.00 0.00 174.94 172.96 3gvl s TYR 715 N -1.08 1.63 -0.33 3.50 2.02 0.37 -0.62 117.35 122.84 3gvl s TYR 715 Ca 0.19 -0.73 -0.06 0.00 -0.37 0.00 0.00 57.07 56.10 3gvl s TYR 715 Cb -0.11 -1.24 0.04 0.00 -0.40 0.00 0.00 41.96 40.25 3gvl s TYR 715 CO 0.10 -0.42 0.09 -0.47 -1.57 0.00 0.00 175.55 173.28 3gvl s TYR 716 N 1.12 3.25 -0.22 2.71 5.04 -0.29 -1.52 117.35 127.45 3gvl s TYR 716 Ca -0.05 -1.45 -0.12 0.00 -2.44 0.00 0.00 57.07 53.01 3gvl s TYR 716 Cb -0.14 -2.25 -0.05 0.00 0.35 0.00 0.00 41.96 39.87 3gvl s TYR 716 CO -0.02 -0.73 0.20 -1.64 -1.34 0.00 0.00 175.55 172.02 3gvl s MET 717 N 1.39 4.13 0.24 4.97 -1.94 0.32 -0.58 119.30 127.83 3gvl s MET 717 Ca -0.02 -0.15 -0.22 0.00 -1.71 0.00 0.00 55.69 53.59 3gvl s MET 717 Cb -0.19 -3.50 0.03 0.00 2.01 0.00 0.00 34.83 33.18 3gvl s MET 717 CO 0.02 0.12 0.72 -0.59 -0.01 0.00 0.00 175.02 175.28 3gvl s PHE 718 N 0.88 -0.25 0.42 -0.03 -0.12 -0.21 -0.76 117.98 117.91 3gvl s PHE 718 Ca 0.10 -0.15 -0.08 0.00 -0.05 0.00 0.00 56.93 56.76 3gvl s PHE 718 Cb -0.13 0.67 -0.05 0.00 -0.63 0.00 0.00 43.02 42.88 3gvl s PHE 718 CO 0.03 -1.12 0.75 0.20 -0.05 0.00 0.00 175.22 175.04 3gvl s GLY 719 N -2.88 1.79 -0.01 1.99 0.00 -0.65 -0.11 107.32 107.44 3gvl s GLY 719 Ca 0.09 -0.34 -0.24 0.00 0.00 0.00 0.00 44.72 44.23 3gvl s GLY 719 CO 0.03 -0.17 0.53 -0.32 0.00 0.00 0.00 173.10 173.17 3gvl s GLY 720 N -3.47 -0.42 0.21 0.20 0.00 -0.10 -1.02 107.32 102.72 3gvl s GLY 720 Ca 0.49 0.83 0.02 0.00 0.00 0.00 0.00 44.72 46.07 3gvl s GLY 720 CO 0.36 0.53 0.20 1.18 0.00 0.00 0.00 173.10 175.37 3gvl n GLU 721 N 0.86 1.07 -4.04 2.90 1.02 -0.17 -1.24 120.64 121.04 3gvl n GLU 721 Ca -0.19 -1.25 -0.19 0.00 -0.02 0.00 0.00 57.16 55.50 3gvl n GLU 721 Cb 0.58 0.06 -0.07 0.00 -0.02 0.00 0.00 31.44 31.99 3gvl n GLU 721 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3gvl n ASP 722 N -2.21 -0.19 -0.09 1.62 5.68 -1.24 -4.12 116.55 116.00 3gvl n ASP 722 Ca 0.02 -2.96 0.11 0.00 -0.50 0.00 0.00 54.79 51.45 3gvl n ASP 722 Cb 0.23 1.36 0.61 0.00 -1.14 0.00 0.00 41.12 42.18 3gvl n ASP 722 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 3gvl n HIS 723 N -0.63 0.03 -2.66 2.11 8.25 -1.26 -4.13 115.22 116.92 3gvl n HIS 723 Ca 0.04 -0.01 -0.43 0.00 -0.26 0.00 0.00 57.72 57.06 3gvl n HIS 723 Cb 0.54 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.63 3gvl n HIS 723 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3gvl s PHE 724 N -1.97 3.08 0.24 4.41 0.08 -1.26 -5.01 117.98 117.55 3gvl s PHE 724 Ca 0.33 1.05 -0.30 0.00 0.12 0.00 0.00 56.93 58.13 3gvl s PHE 724 Cb 0.16 -3.80 -0.10 0.00 -0.57 0.00 0.00 43.02 38.70 3gvl s PHE 724 CO 0.26 -0.86 1.40 1.21 -0.10 0.00 0.00 175.22 177.13 3gvl s ASN 725 N 1.82 6.72 0.00 1.36 3.84 -1.26 -4.35 114.94 123.07 3gvl s ASN 725 Ca 0.45 2.61 0.19 0.00 0.21 0.00 0.00 52.86 56.32 3gvl s ASN 725 Cb -0.11 -2.62 0.85 0.00 -0.55 0.00 0.00 41.25 38.82 3gvl s ASN 725 CO 0.19 -0.65 1.62 -0.81 -2.79 0.00 0.00 177.10 174.66 3gvl n PRO 726 N 2.26 0.04 -3.05 0.43 -0.04 -1.26 -4.78 135.00 128.60 3gvl n PRO 726 Ca 0.06 0.16 -0.22 0.00 -0.04 0.00 0.00 63.50 63.45 3gvl n PRO 726 Cb 0.41 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.41 3gvl n PRO 726 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3gvl n TRP 727 N -1.47 -2.01 -0.26 0.54 5.03 -1.26 -4.67 117.44 113.35 3gvl n TRP 727 Ca 0.05 0.55 -0.05 0.00 3.03 0.00 0.00 57.50 61.08 3gvl n TRP 727 Cb 0.22 -4.51 0.06 0.00 -1.03 0.00 0.00 31.31 26.04 3gvl n TRP 727 CO 0.00 0.00 0.00 1.15 -0.03 0.00 0.00 177.69 178.81 3gvl h THR 728 N -1.47 1.19 -3.11 -0.99 2.02 -1.89 0.10 112.91 108.76 3gvl h THR 728 Ca -0.53 -0.37 -0.76 0.00 0.77 0.00 0.00 66.41 65.53 3gvl h THR 728 Cb 1.36 0.16 -0.24 0.00 -1.74 0.00 0.00 68.15 67.70 3gvl h THR 728 CO 0.56 0.19 -0.23 -0.31 0.37 0.00 0.00 175.52 176.10 3gvl s TYR 729 N -6.09 3.25 -5.00 3.16 1.51 -1.26 -3.58 117.35 109.34 3gvl s TYR 729 Ca -0.13 -1.26 0.00 0.00 -1.01 0.00 0.00 57.07 54.67 3gvl s TYR 729 Cb 0.14 -3.75 0.00 0.00 -0.11 0.00 0.00 41.96 38.25 3gvl s TYR 729 CO 0.78 -1.00 0.00 0.41 -1.11 0.00 0.00 175.55 174.62 3gvl n GLY 730 N 5.24 0.56 0.31 0.71 0.00 -1.23 -4.95 105.19 105.84 3gvl n GLY 730 Ca -0.14 -1.51 0.10 0.00 0.00 0.00 0.00 46.02 44.47 3gvl n GLY 730 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gvl n ASP 731 N 0.00 0.92 -2.65 1.61 5.68 -1.22 -4.06 116.55 116.83 3gvl n ASP 731 Ca 0.00 -1.58 -0.17 0.00 -0.50 0.00 0.00 54.79 52.54 3gvl n ASP 731 Cb 0.00 -0.06 0.01 0.00 -1.14 0.00 0.00 41.12 39.93 3gvl n ASP 731 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3gvl n ASN 732 N -0.17 2.70 0.29 -1.12 5.15 0.35 -4.85 115.26 117.61 3gvl n ASN 732 Ca 0.15 -3.14 0.16 0.00 -0.60 0.00 0.00 54.58 51.15 3gvl n ASN 732 Cb 0.21 -0.51 0.91 0.00 -0.53 0.00 0.00 39.78 39.86 3gvl n ASN 732 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 3gvl h SER 733 N 2.85 0.00 0.91 1.20 4.64 -1.61 -0.58 113.55 120.96 3gvl h SER 733 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3gvl h SER 733 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 3gvl h SER 733 CO 0.64 0.03 0.00 0.00 -0.87 0.00 0.00 176.83 176.63 3gvl n ALA 734 N -2.26 1.90 -2.22 5.18 0.00 -1.26 -4.91 120.51 116.93 3gvl n ALA 734 Ca -0.03 0.01 -0.14 0.00 0.00 0.00 0.00 53.44 53.28 3gvl n ALA 734 Cb 0.13 -1.39 -0.01 0.00 0.00 0.00 0.00 19.45 18.18 3gvl n ALA 734 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3gvl n LYS 735 N -2.02 -1.12 -1.69 0.00 5.02 -0.23 -4.94 118.16 113.19 3gvl n LYS 735 Ca 0.04 0.70 -0.42 0.00 -2.02 0.00 0.00 58.31 56.60 3gvl n LYS 735 Cb 0.28 -4.97 -0.03 0.00 -0.02 0.00 0.00 35.03 30.29 3gvl n LYS 735 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3gvl s ASP 736 N -2.39 6.11 0.59 4.39 -1.08 -1.26 -4.82 116.67 118.21 3gvl s ASP 736 Ca 0.00 2.33 0.35 0.00 -0.52 0.00 0.00 52.55 54.71 3gvl s ASP 736 Cb 0.00 -2.52 1.83 0.00 -1.46 0.00 0.00 42.92 40.77 3gvl s ASP 736 CO 0.00 -1.37 2.19 -0.65 0.52 0.00 0.00 175.17 175.86 3gvl h PRO 737 N 12.10 0.00 -0.31 4.34 0.11 -1.92 -3.05 132.00 143.26 3gvl h PRO 737 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3gvl h PRO 737 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3gvl h PRO 737 CO 0.95 0.04 0.00 1.19 -0.21 0.00 0.00 178.00 179.97 3gvl n PHE 738 N -3.39 0.40 -3.53 0.65 3.72 -1.26 -3.34 117.46 110.71 3gvl n PHE 738 Ca -0.02 -0.20 -0.38 0.00 -0.05 0.00 0.00 57.45 56.80 3gvl n PHE 738 Cb 0.17 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.65 3gvl n PHE 738 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3gvl s LYS 739 N -1.60 3.88 3.32 -1.08 1.02 -1.16 -4.93 119.74 119.19 3gvl s LYS 739 Ca 0.35 0.36 0.00 0.00 0.02 0.00 0.00 55.97 56.70 3gvl s LYS 739 Cb 0.20 -3.19 0.00 0.00 -0.52 0.00 0.00 37.83 34.32 3gvl s LYS 739 CO 0.28 0.68 0.00 0.43 -0.92 0.00 0.00 175.35 175.82 3gvl n SER 740 N 1.70 0.00 -1.19 2.83 7.64 -1.26 -1.29 113.62 122.05 3gvl n SER 740 Ca -0.13 0.00 0.08 0.00 1.01 0.00 0.00 58.87 59.82 3gvl n SER 740 Cb 0.52 0.00 0.26 0.00 -1.01 0.00 0.00 64.21 63.99 3gvl n SER 740 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3gvl n ASP 741 N 2.76 3.48 0.00 6.43 8.00 -1.26 -5.03 116.55 130.92 3gvl n ASP 741 Ca 0.00 -2.23 0.00 0.00 0.71 0.00 0.00 54.79 53.27 3gvl n ASP 741 Cb 0.00 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.64 3gvl n ASP 741 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gvl n GLY 742 N 1.07 2.43 3.69 0.44 0.00 -0.41 -4.62 105.19 107.79 3gvl n GLY 742 Ca 0.19 -0.31 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 3gvl n GLY 742 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gvl s HIS 743 N 0.00 3.30 -0.34 1.61 3.76 0.02 -4.18 115.29 119.47 3gvl s HIS 743 Ca 0.00 0.18 0.27 0.00 -0.15 0.00 0.00 55.06 55.36 3gvl s HIS 743 Cb 0.00 -2.02 0.94 0.00 1.11 0.00 0.00 32.58 32.61 3gvl s HIS 743 CO 0.00 0.30 1.79 -1.00 -0.85 0.00 0.00 174.74 174.99 3gvl h PRO 744 N 6.18 0.00 -6.53 8.40 0.13 -1.82 -3.43 132.00 134.94 3gvl h PRO 744 Ca -0.42 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.18 3gvl h PRO 744 Cb 1.18 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.33 3gvl h PRO 744 CO 0.67 0.00 0.73 0.45 -0.23 0.00 0.00 178.00 179.62 3gvl s SER 745 N -5.17 6.83 0.19 1.44 0.15 -1.26 -3.62 113.70 112.27 3gvl s SER 745 Ca 0.05 2.30 -0.06 0.00 0.70 0.00 0.00 55.95 58.94 3gvl s SER 745 Cb 0.09 -2.58 -0.02 0.00 -1.71 0.00 0.00 66.02 61.79 3gvl s SER 745 CO 0.54 -0.65 0.25 -1.81 1.20 0.00 0.00 173.24 172.76 3gvl s ASP 746 N 1.19 0.08 0.11 5.45 1.01 -0.38 -2.09 116.67 122.05 3gvl s ASP 746 Ca 0.64 -1.11 -0.09 0.00 0.71 0.00 0.00 52.55 52.71 3gvl s ASP 746 Cb -0.36 0.44 -0.06 0.00 1.01 0.00 0.00 42.92 43.95 3gvl s ASP 746 CO 0.30 -0.91 0.42 -0.76 0.21 0.00 0.00 175.17 174.42 3gvl s LEU 747 N -3.06 4.31 0.21 1.23 1.43 -1.26 -0.93 118.68 120.62 3gvl s LEU 747 Ca 0.27 0.78 0.06 0.00 -1.03 0.00 0.00 54.13 54.21 3gvl s LEU 747 Cb 0.04 -3.13 -0.05 0.00 0.03 0.00 0.00 46.19 43.08 3gvl s LEU 747 CO 0.07 0.12 -0.10 -0.31 0.23 0.00 0.00 176.35 176.36 3gvl s TYR 748 N -1.49 1.62 -0.07 0.29 1.51 0.84 -0.41 117.35 119.64 3gvl s TYR 748 Ca 0.36 -0.70 -0.02 0.00 -1.01 0.00 0.00 57.07 55.71 3gvl s TYR 748 Cb -0.13 -0.83 0.03 0.00 -0.11 0.00 0.00 41.96 40.91 3gvl s TYR 748 CO 0.20 0.21 0.02 0.00 -1.11 0.00 0.00 175.55 174.87 3gvl s TYR 750 N 2.02 3.23 -0.33 0.00 5.04 0.25 -0.61 117.35 126.96 3gvl s TYR 750 Ca 0.05 0.53 -0.11 0.00 -2.44 0.00 0.00 57.07 55.09 3gvl s TYR 750 Cb -0.12 -2.84 -0.01 0.00 0.35 0.00 0.00 41.96 39.34 3gvl s TYR 750 CO -0.05 -0.39 0.20 0.21 -1.34 0.00 0.00 175.55 174.18 3gvl s LYS 751 N 2.41 3.36 -0.08 4.97 2.20 0.07 -1.13 119.74 131.54 3gvl s LYS 751 Ca 0.22 -0.72 0.05 0.00 -0.36 0.00 0.00 55.97 55.16 3gvl s LYS 751 Cb -0.15 -3.70 -0.00 0.00 -1.51 0.00 0.00 37.83 32.47 3gvl s LYS 751 CO 0.11 -0.46 -0.24 1.41 -0.36 0.00 0.00 175.35 175.81 3gvl s MET 752 N 1.66 2.84 0.07 4.03 1.75 0.21 -1.34 119.30 128.52 3gvl s MET 752 Ca 0.05 -0.88 -0.30 0.00 -1.25 0.00 0.00 55.69 53.31 3gvl s MET 752 Cb -0.17 -2.23 -0.06 0.00 2.84 0.00 0.00 34.83 35.21 3gvl s MET 752 CO 0.08 0.24 1.18 0.21 -0.65 0.00 0.00 175.02 176.08 3gvl s LYS 753 N 0.18 4.45 0.00 4.11 2.20 0.30 -0.54 119.74 130.44 3gvl s LYS 753 Ca -0.14 1.75 0.00 0.00 -0.36 0.00 0.00 55.97 57.22 3gvl s LYS 753 Cb -0.16 -3.34 0.00 0.00 -1.51 0.00 0.00 37.83 32.81 3gvl s LYS 753 CO 0.07 -0.21 0.44 0.44 -0.36 0.00 0.00 175.35 175.73 3gvl n ILE 754 N 3.75 0.11 -3.82 5.43 -6.64 0.08 -4.79 119.36 113.48 3gvl n ILE 754 Ca 0.08 -0.42 -0.06 0.00 -1.77 0.00 0.00 62.75 60.59 3gvl n ILE 754 Cb 0.47 1.18 0.00 0.00 -1.44 0.00 0.00 39.64 39.85 3gvl n ILE 754 CO 0.00 0.00 0.00 -0.83 -1.77 0.00 0.00 176.55 173.95 3gvl s GLY 755 N -0.11 0.03 0.50 3.28 0.00 -1.13 -4.98 107.32 104.90 3gvl s GLY 755 Ca 0.00 -0.30 -0.24 0.00 0.00 0.00 0.00 44.72 44.18 3gvl s GLY 755 CO 0.00 0.40 1.39 2.56 0.00 0.00 0.00 173.10 177.44 3gvl s PRO 756 N -2.96 3.43 -0.37 2.90 0.04 -1.26 -4.86 135.00 131.92 3gvl s PRO 756 Ca 0.15 2.31 -0.04 0.00 0.04 0.00 0.00 61.00 63.46 3gvl s PRO 756 Cb -0.04 -2.46 0.08 0.00 0.04 0.00 0.00 34.50 32.12 3gvl s PRO 756 CO 0.06 -0.98 0.14 0.34 0.04 0.00 0.00 177.00 176.59 3gvl s ASP 757 N -0.74 5.22 -0.20 6.66 -1.08 -1.26 -4.80 116.67 120.46 3gvl s ASP 757 Ca 0.66 -1.57 0.10 0.00 -0.52 0.00 0.00 52.55 51.22 3gvl s ASP 757 Cb -0.42 -1.83 0.63 0.00 -1.46 0.00 0.00 42.92 39.85 3gvl s ASP 757 CO 0.52 -0.42 1.50 0.59 0.52 0.00 0.00 175.17 177.87 3gvl n ASN 758 N 4.69 4.61 -4.38 -0.34 4.13 -1.26 -4.88 115.26 117.82 3gvl n ASN 758 Ca -0.08 -2.78 -0.22 0.00 1.68 0.00 0.00 54.58 53.18 3gvl n ASN 758 Cb 0.43 -0.66 -0.11 0.00 -1.54 0.00 0.00 39.78 37.90 3gvl n ASN 758 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 3gvl s ARG 759 N -2.40 1.42 0.74 3.52 0.52 -1.26 -5.13 118.95 116.36 3gvl s ARG 759 Ca 0.43 -1.58 -0.13 0.00 -0.52 0.00 0.00 55.73 53.93 3gvl s ARG 759 Cb 0.33 -1.42 0.04 0.00 0.52 0.00 0.00 34.95 34.42 3gvl s ARG 759 CO 0.12 0.27 1.12 0.14 0.02 0.00 0.00 175.30 176.96 3gvl s VAL 760 N -2.46 3.07 0.36 3.52 -7.23 -1.26 -4.91 120.40 111.49 3gvl s VAL 760 Ca 0.22 0.42 -0.28 0.00 -1.81 0.00 0.00 61.98 60.54 3gvl s VAL 760 Cb -0.04 -2.89 -0.12 0.00 0.56 0.00 0.00 36.38 33.90 3gvl s VAL 760 CO 0.09 -0.38 1.35 -0.24 -0.31 0.00 0.00 175.10 175.62 3gvl n SER 761 N -3.06 3.10 -0.81 4.85 2.88 -1.26 -4.91 113.62 114.40 3gvl n SER 761 Ca 0.10 1.21 0.13 0.00 -1.33 0.00 0.00 58.87 58.98 3gvl n SER 761 Cb 0.52 -1.53 0.24 0.00 -0.75 0.00 0.00 64.21 62.69 3gvl n SER 761 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3gvl n ARG 762 N 0.49 2.12 -2.10 -1.46 3.00 -1.26 -5.02 116.66 112.43 3gvl n ARG 762 Ca 0.04 -1.63 -0.39 0.00 -0.01 0.00 0.00 57.85 55.85 3gvl n ARG 762 Cb 0.37 -1.47 -0.01 0.00 0.00 0.00 0.00 32.46 31.35 3gvl n ARG 762 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3gvl s ASP 763 N -1.99 6.43 0.08 0.55 1.11 -1.26 -5.03 116.67 116.56 3gvl s ASP 763 Ca 0.31 2.61 0.02 0.00 0.18 0.00 0.00 52.55 55.67 3gvl s ASP 763 Cb 0.20 -2.64 -0.04 0.00 1.07 0.00 0.00 42.92 41.52 3gvl s ASP 763 CO 0.31 -0.76 -0.07 0.72 1.18 0.00 0.00 175.17 176.55 3gvl s PHE 764 N -1.26 0.80 -0.02 4.23 -0.71 -1.26 -5.13 117.98 114.62 3gvl s PHE 764 Ca 0.55 -0.78 -0.22 0.00 -1.04 0.00 0.00 56.93 55.45 3gvl s PHE 764 Cb -0.37 -0.47 -0.05 0.00 -1.21 0.00 0.00 43.02 40.92 3gvl s PHE 764 CO 0.48 -0.14 0.65 0.50 -1.34 0.00 0.00 175.22 175.37 3gvl s ARG 765 N -3.04 4.39 -0.34 1.99 3.52 -1.26 -5.05 118.95 119.16 3gvl s ARG 765 Ca 0.04 0.82 -0.26 0.00 -0.13 0.00 0.00 55.73 56.20 3gvl s ARG 765 Cb 0.00 -3.38 0.01 0.00 -1.56 0.00 0.00 34.95 30.02 3gvl s ARG 765 CO -0.03 0.25 0.95 -0.47 -0.81 0.00 0.00 175.30 175.19 3gvl s TYR 766 N 0.18 3.13 0.00 5.12 6.14 -1.26 -4.86 117.35 125.79 3gvl s TYR 766 Ca 0.34 0.92 0.00 0.00 0.64 0.00 0.00 57.07 58.97 3gvl s TYR 766 Cb -0.18 -3.58 0.00 0.00 0.42 0.00 0.00 41.96 38.61 3gvl s TYR 766 CO 0.18 -0.76 0.87 0.41 0.64 0.00 0.00 175.55 176.90 3gvl n GLY 767 N 4.17 1.72 3.88 8.97 0.00 -1.26 -5.07 105.19 117.60 3gvl n GLY 767 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 3gvl n GLY 767 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gvl s ALA 768 N -0.76 3.35 -0.13 4.61 0.00 -1.26 -5.04 121.76 122.53 3gvl s ALA 768 Ca 0.00 -0.28 -0.29 0.00 0.00 0.00 0.00 51.96 51.39 3gvl s ALA 768 Cb 0.00 -2.69 -0.04 0.00 0.00 0.00 0.00 23.12 20.39 3gvl s ALA 768 CO 0.00 -0.14 1.52 0.08 0.00 0.00 0.00 175.76 177.22 3gvl s VAL 769 N -2.52 3.83 -0.01 0.00 1.01 -1.26 -4.96 120.40 116.49 3gvl s VAL 769 Ca 0.50 0.99 -0.30 0.00 0.00 0.00 0.00 61.98 63.17 3gvl s VAL 769 Cb -0.10 -3.69 -0.09 0.00 0.00 0.00 0.00 36.38 32.50 3gvl s VAL 769 CO 0.36 -0.14 2.01 -2.65 0.00 0.00 0.00 175.10 174.68 3gvl n PRO 770 N 7.08 2.70 -1.23 2.72 -0.02 -1.26 -4.83 135.00 140.17 3gvl n PRO 770 Ca 0.16 0.96 0.04 0.00 -2.02 0.00 0.00 63.50 62.65 3gvl n PRO 770 Cb 0.44 -3.02 0.07 0.00 -0.02 0.00 0.00 33.50 30.97 3gvl n PRO 770 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3gvl n ASN 771 N 8.09 1.17 -0.11 2.55 5.15 -1.26 -4.77 115.26 126.09 3gvl n ASN 771 Ca 0.22 -2.50 -0.23 0.00 -0.60 0.00 0.00 54.58 51.47 3gvl n ASN 771 Cb 0.41 -0.36 -0.12 0.00 -0.53 0.00 0.00 39.78 39.18 3gvl n ASN 771 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3gvl n ARG 772 N 0.05 0.64 0.05 1.20 5.12 -1.26 -3.91 116.66 118.55 3gvl n ARG 772 Ca 0.09 0.26 -0.13 0.00 -1.93 0.00 0.00 57.85 56.14 3gvl n ARG 772 Cb 1.01 -1.58 -0.09 0.00 -1.16 0.00 0.00 32.46 30.65 3gvl n ARG 772 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3gvl h ALA 773 N -0.36 -0.13 -2.95 7.54 0.00 -2.01 -3.36 119.26 118.00 3gvl h ALA 773 Ca -0.56 -0.17 -0.61 0.00 0.00 0.00 0.00 54.91 53.57 3gvl h ALA 773 Cb 1.76 0.05 -0.40 0.00 0.00 0.00 0.00 17.79 19.20 3gvl h ALA 773 CO -0.18 -0.41 -0.73 0.08 0.00 0.00 0.00 179.25 178.02 3gvl s VAL 774 N -4.86 1.70 -0.19 0.00 1.01 -1.26 -5.09 120.40 111.71 3gvl s VAL 774 Ca -0.15 -3.07 -0.29 0.00 0.00 0.00 0.00 61.98 58.47 3gvl s VAL 774 Cb 0.03 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 3gvl s VAL 774 CO 0.63 -0.97 1.71 -2.84 0.00 0.00 0.00 175.10 173.63 3gvl s PRO 775 N -0.20 3.79 -0.07 2.72 0.02 -1.25 -4.86 135.00 135.15 3gvl s PRO 775 Ca 0.22 1.82 0.04 0.00 0.02 0.00 0.00 61.00 63.09 3gvl s PRO 775 Cb -0.15 -4.08 -0.02 0.00 0.02 0.00 0.00 34.50 30.28 3gvl s PRO 775 CO -0.07 -1.31 -0.17 0.08 -0.33 0.00 0.00 177.00 175.20 3gvl s VAL 776 N 5.35 2.80 -0.05 3.83 1.01 -1.26 -3.94 120.40 128.14 3gvl s VAL 776 Ca 0.76 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.95 3gvl s VAL 776 Cb -0.28 -2.09 0.02 0.00 0.00 0.00 0.00 36.38 34.03 3gvl s VAL 776 CO 0.31 0.57 -0.06 -0.36 0.00 0.00 0.00 175.10 175.56 3gvl s PHE 777 N -0.38 0.84 -0.24 5.22 0.08 -0.01 -4.91 117.98 118.57 3gvl s PHE 777 Ca 0.04 -0.25 -0.29 0.00 0.12 0.00 0.00 56.93 56.55 3gvl s PHE 777 Cb -0.12 -0.71 -0.02 0.00 -0.57 0.00 0.00 43.02 41.59 3gvl s PHE 777 CO 0.02 -0.20 1.61 -0.06 -0.10 0.00 0.00 175.22 176.49 3gvl s PHE 778 N 0.85 2.12 1.12 0.36 0.40 -1.26 -0.06 117.98 121.50 3gvl s PHE 778 Ca -0.12 0.57 -0.18 0.00 -0.60 0.00 0.00 56.93 56.60 3gvl s PHE 778 Cb -0.15 -4.00 0.25 0.00 0.51 0.00 0.00 43.02 39.63 3gvl s PHE 778 CO 0.01 -2.85 1.15 0.34 0.70 0.00 0.00 175.22 174.57 3gvl s ASP 779 N 4.31 1.65 0.20 1.36 -1.08 -0.42 -4.83 116.67 117.86 3gvl s ASP 779 Ca 0.71 0.61 0.19 0.00 -0.52 0.00 0.00 52.55 53.55 3gvl s ASP 779 Cb -0.24 -0.87 0.87 0.00 -1.46 0.00 0.00 42.92 41.22 3gvl s ASP 779 CO 0.29 -3.67 1.58 0.35 0.52 0.00 0.00 175.17 174.24 3gvl n THR 780 N -4.46 1.03 1.38 1.71 -2.24 -1.26 -0.89 114.28 109.56 3gvl n THR 780 Ca 0.13 0.39 0.13 0.00 -2.27 0.00 0.00 64.05 62.43 3gvl n THR 780 Cb 0.59 -1.31 0.43 0.00 -2.10 0.00 0.00 70.33 67.94 3gvl n THR 780 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3gvl n ASN 781 N -2.04 1.65 0.00 3.42 6.94 -1.26 -4.96 115.26 119.01 3gvl n ASN 781 Ca 0.01 -1.48 0.00 0.00 -0.02 0.00 0.00 54.58 53.09 3gvl n ASN 781 Cb 0.15 0.03 0.00 0.00 -2.36 0.00 0.00 39.78 37.60 3gvl n ASN 781 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3gvl n GLY 782 N 1.23 0.49 3.45 4.83 0.00 -0.07 -5.05 105.19 110.07 3gvl n GLY 782 Ca 0.17 -0.69 -0.33 0.00 0.00 0.00 0.00 46.02 45.17 3gvl n GLY 782 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gvl s VAL 783 N -2.00 3.40 0.02 1.61 1.01 -1.26 -4.82 120.40 118.37 3gvl s VAL 783 Ca 0.00 -0.55 -0.34 0.00 0.00 0.00 0.00 61.98 61.09 3gvl s VAL 783 Cb 0.00 -2.44 -0.13 0.00 0.00 0.00 0.00 36.38 33.82 3gvl s VAL 783 CO 0.00 0.53 1.75 0.54 0.00 0.00 0.00 175.10 177.92 3gvl n ARG 784 N 3.23 2.15 -4.79 2.72 1.74 -1.26 -1.30 116.66 119.15 3gvl n ARG 784 Ca -0.18 0.78 -0.27 0.00 -0.77 0.00 0.00 57.85 57.42 3gvl n ARG 784 Cb 0.53 -2.60 -0.17 0.00 -1.02 0.00 0.00 32.46 29.20 3gvl n ARG 784 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3gvl s THR 785 N 2.68 1.43 -0.33 0.55 2.01 0.91 -4.92 115.64 117.98 3gvl s THR 785 Ca 0.87 -0.66 -0.03 0.00 0.31 0.00 0.00 61.69 62.18 3gvl s THR 785 Cb -0.69 -1.27 0.06 0.00 0.01 0.00 0.00 72.50 70.61 3gvl s THR 785 CO 0.46 0.42 0.06 -0.69 -0.69 0.00 0.00 174.62 174.18 3gvl s VAL 786 N 0.52 3.21 -0.99 3.82 1.01 -1.26 -0.83 120.40 125.88 3gvl s VAL 786 Ca -0.15 -1.48 0.26 0.00 0.00 0.00 0.00 61.98 60.61 3gvl s VAL 786 Cb -0.16 -2.92 0.08 0.00 0.00 0.00 0.00 36.38 33.38 3gvl s VAL 786 CO 0.05 -0.24 1.56 -2.65 0.00 0.00 0.00 175.10 173.82 3gvl n PRO 787 N 4.65 0.01 -2.58 2.72 -0.02 -1.25 -4.92 135.00 133.61 3gvl n PRO 787 Ca -0.11 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.01 3gvl n PRO 787 Cb 0.43 -1.51 -0.04 0.00 -0.02 0.00 0.00 33.50 32.36 3gvl n PRO 787 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gvl s ALA 788 N -3.01 3.14 0.41 3.55 0.00 -1.26 -5.02 121.76 119.57 3gvl s ALA 788 Ca 0.12 0.69 -0.25 0.00 0.00 0.00 0.00 51.96 52.51 3gvl s ALA 788 Cb 0.18 -3.26 -0.08 0.00 0.00 0.00 0.00 23.12 19.95 3gvl s ALA 788 CO 0.65 -0.14 1.25 -1.25 0.00 0.00 0.00 175.76 176.27 3gvl s PRO 789 N -2.33 3.94 0.02 0.00 0.04 -1.26 -5.03 135.00 130.38 3gvl s PRO 789 Ca 0.55 2.02 -0.00 0.00 0.04 0.00 0.00 61.00 63.61 3gvl s PRO 789 Cb -0.22 -2.68 -0.02 0.00 0.04 0.00 0.00 34.50 31.62 3gvl s PRO 789 CO 0.28 -0.47 -0.02 -1.64 0.04 0.00 0.00 177.00 175.19 3gvl s MET 790 N -2.32 0.31 -0.17 4.56 -1.94 -1.26 -5.14 119.30 113.34 3gvl s MET 790 Ca 0.58 -0.60 0.01 0.00 -1.71 0.00 0.00 55.69 53.97 3gvl s MET 790 Cb -0.35 0.11 0.01 0.00 2.01 0.00 0.00 34.83 36.62 3gvl s MET 790 CO 0.44 -0.05 -0.18 -1.21 -0.01 0.00 0.00 175.02 174.01 3gvl s GLU 791 N -1.45 3.06 -0.34 2.03 0.41 -1.26 -5.09 118.70 116.07 3gvl s GLU 791 Ca -0.16 -0.81 -0.08 0.00 -0.41 0.00 0.00 54.97 53.51 3gvl s GLU 791 Cb -0.10 -2.58 0.02 0.00 -1.78 0.00 0.00 34.13 29.69 3gvl s GLU 791 CO -0.01 -0.13 0.13 -0.06 -0.49 0.00 0.00 175.26 174.70 3gvl s PHE 792 N 1.13 3.22 -0.21 1.61 0.08 -1.26 -4.95 117.98 117.60 3gvl s PHE 792 Ca 0.01 -1.10 0.21 0.00 0.12 0.00 0.00 56.93 56.17 3gvl s PHE 792 Cb -0.14 -2.33 -0.31 0.00 -0.57 0.00 0.00 43.02 39.67 3gvl s PHE 792 CO -0.08 -0.64 0.54 0.25 -0.10 0.00 0.00 175.22 175.19 3gvl n THR 793 N 4.90 0.00 -1.95 0.64 -2.24 -1.26 -4.96 114.28 109.41 3gvl n THR 793 Ca -0.13 -0.39 -0.31 0.00 -2.27 0.00 0.00 64.05 60.95 3gvl n THR 793 Cb 0.46 0.20 0.01 0.00 -2.10 0.00 0.00 70.33 68.90 3gvl n THR 793 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3gvl s GLY 794 N -4.14 1.66 0.20 3.38 0.00 -1.26 -4.98 107.32 102.18 3gvl s GLY 794 Ca -0.05 -0.12 -0.32 0.00 0.00 0.00 0.00 44.72 44.23 3gvl s GLY 794 CO 0.87 0.14 1.64 1.22 0.00 0.00 0.00 173.10 176.97 3gvl n ASP 795 N -2.67 3.61 -4.44 1.64 8.00 -1.26 -4.98 116.55 116.44 3gvl n ASP 795 Ca 0.06 1.08 -0.33 0.00 0.71 0.00 0.00 54.79 56.31 3gvl n ASP 795 Cb 0.54 -1.52 -0.13 0.00 -0.02 0.00 0.00 41.12 39.99 3gvl n ASP 795 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3gvl s LEU 796 N 0.84 2.79 -0.17 0.64 1.43 -1.26 -5.11 118.68 117.84 3gvl s LEU 796 Ca 0.75 -0.23 -0.03 0.00 -1.03 0.00 0.00 54.13 53.59 3gvl s LEU 796 Cb -0.57 -1.60 -0.02 0.00 0.03 0.00 0.00 46.19 44.03 3gvl s LEU 796 CO 0.37 0.26 -0.06 -0.83 0.23 0.00 0.00 176.35 176.32 3gvl s GLY 797 N -0.24 1.64 0.10 -3.19 0.00 -1.26 -5.12 107.32 99.24 3gvl s GLY 797 Ca 0.01 -0.95 0.10 0.00 0.00 0.00 0.00 44.72 43.88 3gvl s GLY 797 CO 0.03 0.06 -0.24 1.08 0.00 0.00 0.00 173.10 174.03 3gvl s LEU 798 N 0.71 2.41 0.00 0.66 1.43 -1.26 -5.14 118.68 117.49 3gvl s LEU 798 Ca -0.03 -0.64 0.00 0.00 -1.03 0.00 0.00 54.13 52.43 3gvl s LEU 798 Cb -0.15 -1.34 0.00 0.00 0.03 0.00 0.00 46.19 44.73 3gvl s LEU 798 CO 0.02 0.20 0.00 0.61 0.23 0.00 0.00 176.35 177.41 3gvl n GLY 799 N 1.13 0.85 3.70 -3.19 0.00 -1.26 -4.97 105.19 101.45 3gvl n GLY 799 Ca -0.17 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 3gvl n GLY 799 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3gvl s HIS 800 N 1.80 2.90 -0.09 1.61 5.65 -1.26 -5.00 115.29 120.91 3gvl s HIS 800 Ca 0.00 0.66 0.04 0.00 0.25 0.00 0.00 55.06 56.01 3gvl s HIS 800 Cb 0.00 -3.83 -0.01 0.00 -1.18 0.00 0.00 32.58 27.56 3gvl s HIS 800 CO 0.00 -3.11 -0.22 0.08 -0.65 0.00 0.00 174.74 170.85 3gvl s VAL 801 N 1.74 2.32 -0.14 0.89 1.01 -1.26 -5.11 120.40 119.86 3gvl s VAL 801 Ca 0.69 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.74 3gvl s VAL 801 Cb -0.39 -1.89 0.00 0.00 0.00 0.00 0.00 36.38 34.10 3gvl s VAL 801 CO 0.30 0.56 -0.19 -0.89 0.00 0.00 0.00 175.10 174.89 3gvl s THR 802 N 0.08 2.41 -0.39 3.92 2.01 -1.26 -5.10 115.64 117.32 3gvl s THR 802 Ca -0.10 -0.87 -0.17 0.00 0.31 0.00 0.00 61.69 60.87 3gvl s THR 802 Cb -0.16 -1.99 0.01 0.00 0.01 0.00 0.00 72.50 70.38 3gvl s THR 802 CO 0.06 0.53 0.43 -0.63 -0.69 0.00 0.00 174.62 174.32 3gvl s ILE 803 N 0.68 5.09 0.62 1.82 -1.09 -1.26 -5.06 121.20 122.00 3gvl s ILE 803 Ca -0.09 -0.13 -0.11 0.00 -2.23 0.00 0.00 60.65 58.09 3gvl s ILE 803 Cb -0.16 -3.97 -0.04 0.00 -1.58 0.00 0.00 42.46 36.71 3gvl s ILE 803 CO 0.02 -0.30 1.03 -0.13 -1.23 0.00 0.00 174.94 174.32 3gvl s ARG 804 N 2.15 3.56 0.23 2.79 1.81 -1.26 -4.80 118.95 123.44 3gvl s ARG 804 Ca 0.13 0.79 -0.32 0.00 -1.72 0.00 0.00 55.73 54.61 3gvl s ARG 804 Cb -0.17 -2.08 -0.12 0.00 -0.45 0.00 0.00 34.95 32.14 3gvl s ARG 804 CO 0.13 -0.60 1.70 0.00 -0.68 0.00 0.00 175.30 175.85 3gvl s ALA 805 N -3.13 3.90 0.00 2.13 0.00 -1.26 -4.29 121.76 119.11 3gvl s ALA 805 Ca 0.56 1.59 0.00 0.00 0.00 0.00 0.00 51.96 54.11 3gvl s ALA 805 Cb -0.11 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.32 3gvl s ALA 805 CO 0.52 -0.94 0.00 -1.13 0.00 0.00 0.00 175.76 174.21 3gvl n SER 806 N 3.60 0.00 -4.10 0.00 3.41 -0.13 -4.91 113.62 111.49 3gvl n SER 806 Ca 0.14 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.55 3gvl n SER 806 Cb 0.36 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.16 3gvl n SER 806 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3gvl s THR 807 N 0.00 0.97 -0.72 6.66 2.01 -0.78 -4.54 115.64 119.24 3gvl s THR 807 Ca 0.00 -0.71 -0.02 0.00 0.31 0.00 0.00 61.69 61.27 3gvl s THR 807 Cb 0.00 -0.85 0.00 0.00 0.01 0.00 0.00 72.50 71.66 3gvl s THR 807 CO 0.00 0.14 0.68 -1.20 -0.69 0.00 0.00 174.62 173.55 3gvl n SER 808 N 2.40 -7.50 -3.32 3.53 7.64 -1.26 -1.86 113.62 113.24 3gvl n SER 808 Ca -0.16 -0.11 -0.24 0.00 1.01 0.00 0.00 58.87 59.37 3gvl n SER 808 Cb 0.55 -4.93 0.02 0.00 -1.01 0.00 0.00 64.21 58.85 3gvl n SER 808 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3gvl n SER 809 N -1.72 -5.13 -2.12 6.43 7.64 -1.26 -2.00 113.62 115.45 3gvl n SER 809 Ca -0.02 -0.42 -0.17 0.00 1.01 0.00 0.00 58.87 59.27 3gvl n SER 809 Cb 0.52 -4.15 -0.03 0.00 -1.01 0.00 0.00 64.21 59.54 3gvl n SER 809 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3gvl n ASN 810 N -2.53 -4.88 0.15 6.43 3.02 -1.14 -4.87 115.26 111.44 3gvl n ASN 810 Ca -0.05 0.19 0.01 0.00 -0.03 0.00 0.00 54.58 54.70 3gvl n ASN 810 Cb 0.57 -4.19 0.24 0.00 -0.61 0.00 0.00 39.78 35.79 3gvl n ASN 810 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3gvl h ILE 811 N 0.00 1.31 -3.88 2.41 2.10 -0.74 -3.41 117.51 115.30 3gvl h ILE 811 Ca -0.39 -1.86 -0.27 0.00 1.08 0.00 0.00 64.86 63.42 3gvl h ILE 811 Cb 1.24 2.03 -0.18 0.00 -1.09 0.00 0.00 36.82 38.81 3gvl h ILE 811 CO 0.49 0.52 -0.72 0.00 -1.08 0.00 0.00 178.15 177.36 3gvl s ARG 812 N -3.71 0.70 0.30 2.19 1.70 -0.94 -4.99 118.95 114.19 3gvl s ARG 812 Ca -0.01 -1.03 -0.12 0.00 -0.47 0.00 0.00 55.73 54.10 3gvl s ARG 812 Cb 0.13 -0.32 -0.08 0.00 -0.57 0.00 0.00 34.95 34.11 3gvl s ARG 812 CO 0.74 0.04 0.66 -1.54 -1.08 0.00 0.00 175.30 174.12 3gvl s SER 813 N -2.23 6.66 -0.12 -2.89 1.04 -1.26 -0.96 113.70 113.94 3gvl s SER 813 Ca 0.00 1.08 -0.06 0.00 0.48 0.00 0.00 55.95 57.46 3gvl s SER 813 Cb -0.04 -2.29 0.05 0.00 0.10 0.00 0.00 66.02 63.84 3gvl s SER 813 CO -0.01 -0.19 0.28 -0.70 0.98 0.00 0.00 173.24 173.60 3gvl s GLU 814 N -3.09 0.25 -0.13 4.02 2.12 -1.26 -4.96 118.70 115.65 3gvl s GLU 814 Ca 0.50 0.57 0.02 0.00 0.36 0.00 0.00 54.97 56.43 3gvl s GLU 814 Cb -0.11 -0.09 0.01 0.00 0.26 0.00 0.00 34.13 34.21 3gvl s GLU 814 CO 0.22 -0.16 -0.20 0.08 -0.54 0.00 0.00 175.26 174.66 3gvl s VAL 815 N 1.22 1.87 -0.08 3.70 1.01 -1.26 -5.05 120.40 121.80 3gvl s VAL 815 Ca -0.09 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.03 3gvl s VAL 815 Cb -0.10 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 3gvl s VAL 815 CO -0.09 0.51 -0.10 -0.76 0.00 0.00 0.00 175.10 174.66 3gvl s LEU 816 N 0.84 2.95 -0.15 3.92 1.43 -1.26 -5.12 118.68 121.29 3gvl s LEU 816 Ca -0.08 -0.15 -0.03 0.00 -1.03 0.00 0.00 54.13 52.84 3gvl s LEU 816 Cb -0.15 -1.64 -0.03 0.00 0.03 0.00 0.00 46.19 44.40 3gvl s LEU 816 CO -0.01 0.30 -0.05 -0.04 0.23 0.00 0.00 176.35 176.78 3gvl s MET 817 N -0.42 3.61 0.00 1.70 -1.94 -1.26 -5.12 119.30 115.87 3gvl s MET 817 Ca 0.06 -0.54 0.00 0.00 -1.71 0.00 0.00 55.69 53.50 3gvl s MET 817 Cb -0.12 -2.87 0.00 0.00 2.01 0.00 0.00 34.83 33.85 3gvl s MET 817 CO 0.02 0.26 0.00 0.39 -0.01 0.00 0.00 175.02 175.68 3gvl n GLU 818 N 3.48 1.55 0.00 2.03 1.02 -1.26 -4.82 120.64 122.64 3gvl n GLU 818 Ca -0.17 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.97 3gvl n GLU 818 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.95 3gvl n GLU 818 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gvl n GLY 819 N 5.00 -2.43 0.28 0.62 0.00 -1.26 -4.28 105.19 103.12 3gvl n GLY 819 Ca 0.00 -1.59 -0.06 0.00 0.00 0.00 0.00 46.02 44.37 3gvl n GLY 819 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3gvl h GLU 820 N 0.00 0.94 -3.89 1.61 4.81 -2.09 -3.45 114.58 112.51 3gvl h GLU 820 Ca 0.00 -0.13 -0.09 0.00 -0.13 0.00 0.00 59.36 59.01 3gvl h GLU 820 Cb 0.00 -0.17 -0.14 0.00 0.63 0.00 0.00 28.75 29.06 3gvl h GLU 820 CO 0.00 0.73 -0.44 1.52 -0.73 0.00 0.00 179.01 180.09 3gvl s TYR 821 N -5.76 0.23 0.13 0.92 1.13 -1.26 -5.16 117.35 107.57 3gvl s TYR 821 Ca -0.13 -0.68 0.03 0.00 -1.41 0.00 0.00 57.07 54.89 3gvl s TYR 821 Cb 0.14 -0.13 -0.04 0.00 -1.10 0.00 0.00 41.96 40.83 3gvl s TYR 821 CO 0.79 -0.50 0.18 0.20 -2.51 0.00 0.00 175.55 173.71 3gvl s GLY 822 N -2.84 1.82 -0.06 5.49 0.00 -1.26 -4.86 107.32 105.60 3gvl s GLY 822 Ca 0.05 -1.08 -0.01 0.00 0.00 0.00 0.00 44.72 43.68 3gvl s GLY 822 CO -0.10 -1.08 -0.01 -0.12 0.00 0.00 0.00 173.10 171.78 3gvl s PHE 823 N -1.66 0.68 -0.22 1.90 2.19 -1.26 -5.11 117.98 114.49 3gvl s PHE 823 Ca 0.32 -0.18 -0.01 0.00 0.33 0.00 0.00 56.93 57.40 3gvl s PHE 823 Cb -0.11 -0.75 0.02 0.00 -1.31 0.00 0.00 43.02 40.87 3gvl s PHE 823 CO 0.25 -0.29 -0.11 0.42 1.83 0.00 0.00 175.22 177.33 3gvl s ILE 824 N 1.64 2.63 0.32 3.12 1.01 -1.26 -5.11 121.20 123.56 3gvl s ILE 824 Ca 0.00 -0.97 0.06 0.00 0.00 0.00 0.00 60.65 59.74 3gvl s ILE 824 Cb -0.13 -2.27 -0.02 0.00 0.01 0.00 0.00 42.46 40.05 3gvl s ILE 824 CO -0.04 0.32 0.23 0.61 0.00 0.00 0.00 174.94 176.06 3gvl n GLY 825 N 4.65 3.08 2.91 6.18 0.00 -1.26 -5.16 105.19 115.59 3gvl n GLY 825 Ca -0.18 -1.93 -0.27 0.00 0.00 0.00 0.00 46.02 43.64 3gvl n GLY 825 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gvl s LYS 826 N -3.30 1.53 0.79 1.61 2.47 -1.26 -5.08 119.74 116.50 3gvl s LYS 826 Ca 0.32 -0.26 -0.13 0.00 -1.56 0.00 0.00 55.97 54.34 3gvl s LYS 826 Cb 0.02 -1.59 0.07 0.00 -1.46 0.00 0.00 37.83 34.87 3gvl s LYS 826 CO 0.23 -0.27 1.19 -1.54 0.16 0.00 0.00 175.35 175.12 3gvl s SER 827 N 1.70 3.81 -0.16 1.43 1.04 -1.26 -4.93 113.70 115.34 3gvl s SER 827 Ca 0.05 2.30 -0.29 0.00 0.48 0.00 0.00 55.95 58.48 3gvl s SER 827 Cb -0.13 -2.58 -0.03 0.00 0.10 0.00 0.00 66.02 63.38 3gvl s SER 827 CO -0.08 -2.52 1.58 -0.63 0.98 0.00 0.00 173.24 172.57 3gvl s ILE 828 N -2.21 3.74 0.41 -1.02 1.01 -1.26 -4.92 121.20 116.94 3gvl s ILE 828 Ca 0.72 0.86 -0.26 0.00 0.00 0.00 0.00 60.65 61.97 3gvl s ILE 828 Cb -0.27 -3.66 -0.10 0.00 0.01 0.00 0.00 42.46 38.44 3gvl s ILE 828 CO 0.50 -0.19 1.40 -2.65 0.00 0.00 0.00 174.94 173.99 3gvl n PRO 829 N 7.33 2.29 0.08 2.79 -0.02 -1.26 -4.93 135.00 141.28 3gvl n PRO 829 Ca 0.18 0.81 -0.22 0.00 -2.02 0.00 0.00 63.50 62.25 3gvl n PRO 829 Cb 0.44 -2.55 -0.12 0.00 -0.02 0.00 0.00 33.50 31.25 3gvl n PRO 829 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3gvl h THR 830 N 2.47 1.29 0.02 3.45 1.35 -1.99 -3.33 112.91 116.17 3gvl h THR 830 Ca -0.50 -2.42 -0.39 0.00 -0.55 0.00 0.00 66.41 62.56 3gvl h THR 830 Cb 1.27 2.61 -0.06 0.00 -1.73 0.00 0.00 68.15 70.24 3gvl h THR 830 CO 0.62 0.74 -2.40 0.47 -0.25 0.00 0.00 175.52 174.70 3gvl n ASP 831 N -3.80 2.00 -3.37 5.36 8.00 -1.26 -4.74 116.55 118.73 3gvl n ASP 831 Ca -0.13 -0.06 -0.26 0.00 0.71 0.00 0.00 54.79 55.05 3gvl n ASP 831 Cb 0.96 -0.50 -0.08 0.00 -0.02 0.00 0.00 41.12 41.48 3gvl n ASP 831 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3gvl n ASN 832 N -3.34 2.25 0.20 -2.24 4.05 -1.26 -4.93 115.26 109.98 3gvl n ASN 832 Ca -0.44 -3.11 0.14 0.00 0.45 0.00 0.00 54.58 51.62 3gvl n ASN 832 Cb 0.99 -0.66 0.76 0.00 1.23 0.00 0.00 39.78 42.10 3gvl n ASN 832 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 3gvl h PRO 833 N 4.27 0.00 0.00 1.20 0.13 -1.86 -1.58 132.00 134.16 3gvl h PRO 833 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3gvl h PRO 833 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 3gvl h PRO 833 CO 0.67 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.44 3gvl h ALA 834 N 1.88 1.00 -0.02 -0.56 0.00 -1.92 -1.82 119.26 117.81 3gvl h ALA 834 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3gvl h ALA 834 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3gvl h ALA 834 CO -0.00 0.00 -0.13 0.41 0.00 0.00 0.00 179.25 179.53 3gvl n GLY 835 N -1.10 0.35 3.67 0.00 0.00 -0.59 -2.06 105.19 105.45 3gvl n GLY 835 Ca -0.01 -0.58 -0.54 0.00 0.00 0.00 0.00 46.02 44.88 3gvl n GLY 835 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3gvl n GLN 836 N 0.52 1.46 -3.60 1.61 7.27 -0.69 -4.91 117.38 119.04 3gvl n GLN 836 Ca 0.14 0.52 -0.04 0.00 0.07 0.00 0.00 57.00 57.70 3gvl n GLN 836 Cb 0.48 -2.32 -0.02 0.00 2.41 0.00 0.00 30.24 30.80 3gvl n GLN 836 CO 0.00 0.00 0.00 -0.98 0.07 0.00 0.00 177.06 176.15 3gvl s ARG 837 N 4.09 0.55 -0.07 3.69 1.70 -1.26 -0.47 118.95 127.18 3gvl s ARG 837 Ca 0.98 -0.25 0.05 0.00 -0.47 0.00 0.00 55.73 56.05 3gvl s ARG 837 Cb -0.93 0.22 -0.01 0.00 -0.57 0.00 0.00 34.95 33.67 3gvl s ARG 837 CO 0.59 -0.24 -0.23 0.42 -1.08 0.00 0.00 175.30 174.76 3gvl s ILE 838 N -2.68 1.94 -0.32 4.99 1.01 -0.41 -4.95 121.20 120.79 3gvl s ILE 838 Ca 0.10 -0.98 -0.13 0.00 0.00 0.00 0.00 60.65 59.64 3gvl s ILE 838 Cb 0.00 -1.66 -0.03 0.00 0.01 0.00 0.00 42.46 40.79 3gvl s ILE 838 CO -0.05 0.54 0.24 -0.63 0.00 0.00 0.00 174.94 175.05 3gvl s ILE 839 N 0.05 5.28 -0.17 2.92 1.01 -1.26 -1.42 121.20 127.61 3gvl s ILE 839 Ca -0.09 -0.03 -0.10 0.00 0.00 0.00 0.00 60.65 60.43 3gvl s ILE 839 Cb -0.15 -3.67 -0.05 0.00 0.01 0.00 0.00 42.46 38.61 3gvl s ILE 839 CO 0.05 0.07 0.18 -0.36 0.00 0.00 0.00 174.94 174.88 3gvl s PHE 840 N 1.78 3.48 -0.01 3.97 0.08 -0.03 -5.01 117.98 122.25 3gvl s PHE 840 Ca 0.07 0.46 0.00 0.00 0.12 0.00 0.00 56.93 57.59 3gvl s PHE 840 Cb -0.17 -2.16 0.01 0.00 -0.57 0.00 0.00 43.02 40.13 3gvl s PHE 840 CO 0.11 0.39 0.01 0.00 -0.10 0.00 0.00 175.22 175.63 3gvl n GLY 842 N 3.48 -1.01 1.62 0.00 0.00 0.09 -4.88 105.19 104.49 3gvl n GLY 842 Ca -0.18 -0.17 -0.13 0.00 0.00 0.00 0.00 46.02 45.54 3gvl n GLY 842 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gvl n GLY 843 N 0.93 3.80 0.07 -0.02 0.00 -1.25 -4.83 105.19 103.88 3gvl n GLY 843 Ca 0.20 -2.14 0.13 0.00 0.00 0.00 0.00 46.02 44.21 3gvl n GLY 843 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3gvl n GLU 844 N -0.50 0.24 -4.28 1.61 0.00 -1.26 -4.87 120.64 111.58 3gvl n GLU 844 Ca -0.06 0.13 -0.15 0.00 0.00 0.00 0.00 57.16 57.08 3gvl n GLU 844 Cb 0.29 -1.71 -0.10 0.00 0.00 0.00 0.00 31.44 29.92 3gvl n GLU 844 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 3gvl s GLY 845 N -3.54 1.60 0.48 -1.84 0.00 -1.26 -5.04 107.32 97.71 3gvl s GLY 845 Ca 0.09 -1.79 0.24 0.00 0.00 0.00 0.00 44.72 43.26 3gvl s GLY 845 CO 0.66 -1.53 1.96 -0.91 0.00 0.00 0.00 173.10 173.28 3gvl h THR 846 N 2.48 0.66 -3.08 0.90 1.35 -2.00 -3.43 112.91 109.80 3gvl h THR 846 Ca -0.37 -0.82 -0.53 0.00 -0.55 0.00 0.00 66.41 64.14 3gvl h THR 846 Cb 1.24 1.52 0.03 0.00 -1.73 0.00 0.00 68.15 69.22 3gvl h THR 846 CO 0.59 0.19 0.75 -0.55 -0.25 0.00 0.00 175.52 176.24 3gvl s SER 847 N -6.28 6.77 0.11 5.36 0.15 -1.26 -4.89 113.70 113.66 3gvl s SER 847 Ca -0.02 2.44 0.13 0.00 0.70 0.00 0.00 55.95 59.20 3gvl s SER 847 Cb 0.12 -2.60 0.59 0.00 -1.71 0.00 0.00 66.02 62.43 3gvl s SER 847 CO 0.62 -0.67 1.40 -1.54 1.20 0.00 0.00 173.24 174.25 3gvl n SER 848 N 3.51 0.23 0.29 5.45 3.41 -1.26 -1.52 113.62 123.73 3gvl n SER 848 Ca 0.10 0.58 0.16 0.00 -0.26 0.00 0.00 58.87 59.45 3gvl n SER 848 Cb 0.41 -0.62 0.86 0.00 -0.26 0.00 0.00 64.21 64.61 3gvl n SER 848 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 3gvl h THR 849 N 0.00 0.36 0.00 6.66 1.35 -1.93 -2.85 112.91 116.50 3gvl h THR 849 Ca 0.00 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 3gvl h THR 849 Cb 0.14 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 67.80 3gvl h THR 849 CO 0.00 0.06 -0.34 0.71 -0.25 0.00 0.00 175.52 175.70 3gvl h THR 850 N 0.00 0.00 0.00 6.82 1.35 -1.58 -3.49 112.91 116.01 3gvl h THR 850 Ca -0.00 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 3gvl h THR 850 Cb 0.23 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 68.08 3gvl h THR 850 CO 0.01 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 3gvl n GLY 851 N 1.26 1.34 3.76 5.82 0.00 -1.08 -3.94 105.19 112.36 3gvl n GLY 851 Ca 0.04 -0.84 -0.39 0.00 0.00 0.00 0.00 46.02 44.82 3gvl n GLY 851 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gvl s ALA 852 N -2.00 3.13 0.03 4.61 0.00 -1.26 -4.64 121.76 121.62 3gvl s ALA 852 Ca 0.00 1.44 0.03 0.00 0.00 0.00 0.00 51.96 53.43 3gvl s ALA 852 Cb 0.00 -3.59 -0.02 0.00 0.00 0.00 0.00 23.12 19.51 3gvl s ALA 852 CO 0.00 -1.26 -0.10 -0.65 0.00 0.00 0.00 175.76 173.75 3gvl s GLN 853 N -2.58 0.71 -0.08 0.00 -0.21 0.01 -0.73 119.66 116.78 3gvl s GLN 853 Ca 0.64 -0.62 0.03 0.00 0.02 0.00 0.00 55.36 55.44 3gvl s GLN 853 Cb -0.43 -0.64 0.00 0.00 1.00 0.00 0.00 33.01 32.94 3gvl s GLN 853 CO 0.54 0.16 -0.19 0.42 -2.12 0.00 0.00 175.29 174.10 3gvl s ILE 854 N -0.81 1.63 -0.18 1.08 1.01 -0.59 -0.22 121.20 123.12 3gvl s ILE 854 Ca -0.01 -0.78 0.01 0.00 0.00 0.00 0.00 60.65 59.86 3gvl s ILE 854 Cb -0.07 -1.43 0.01 0.00 0.01 0.00 0.00 42.46 40.98 3gvl s ILE 854 CO 0.01 0.47 -0.18 -0.89 0.00 0.00 0.00 174.94 174.34 3gvl s THR 855 N 0.42 2.24 -0.29 2.92 2.01 -0.40 -0.85 115.64 121.69 3gvl s THR 855 Ca -0.15 -0.88 -0.13 0.00 0.31 0.00 0.00 61.69 60.84 3gvl s THR 855 Cb -0.16 -1.95 -0.04 0.00 0.01 0.00 0.00 72.50 70.36 3gvl s THR 855 CO 0.06 0.53 0.27 -0.76 -0.69 0.00 0.00 174.62 174.02 3gvl s LEU 856 N 1.25 4.15 -0.05 4.42 1.43 -0.51 -2.14 118.68 127.24 3gvl s LEU 856 Ca 0.04 -0.02 -0.16 0.00 -1.03 0.00 0.00 54.13 52.96 3gvl s LEU 856 Cb -0.13 -2.23 -0.05 0.00 0.03 0.00 0.00 46.19 43.81 3gvl s LEU 856 CO -0.10 -0.15 0.43 -0.31 0.23 0.00 0.00 176.35 176.45 3gvl s TYR 857 N 1.87 3.64 0.87 0.29 2.02 -0.15 -1.28 117.35 124.61 3gvl s TYR 857 Ca 0.09 0.94 -0.12 0.00 -0.37 0.00 0.00 57.07 57.62 3gvl s TYR 857 Cb -0.16 -2.38 0.11 0.00 -0.40 0.00 0.00 41.96 39.13 3gvl s TYR 857 CO 0.11 0.46 1.10 0.20 -1.57 0.00 0.00 175.55 175.85 3gvl s GLY 858 N -0.43 1.61 0.46 0.71 0.00 0.38 -3.30 107.32 106.75 3gvl s GLY 858 Ca 0.24 -0.15 0.17 0.00 0.00 0.00 0.00 44.72 44.97 3gvl s GLY 858 CO 0.12 0.33 1.99 0.00 0.00 0.00 0.00 173.10 175.54 3gvl h ALA 859 N -1.42 1.60 0.00 3.20 0.00 -1.92 -2.21 119.26 118.51 3gvl h ALA 859 Ca -0.49 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.25 3gvl h ALA 859 Cb 1.28 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3gvl h ALA 859 CO 0.57 0.23 0.00 -0.91 0.00 0.00 0.00 179.25 179.14 3gvl h ASN 860 N 0.00 0.00 -4.03 0.00 2.35 -1.90 -3.43 115.58 108.58 3gvl h ASN 860 Ca -0.00 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 55.20 3gvl h ASN 860 Cb 0.35 0.00 0.13 0.00 0.05 0.00 0.00 38.32 38.85 3gvl h ASN 860 CO 0.02 0.00 0.63 0.21 -1.65 0.00 0.00 177.43 176.64 3gvl s ASN 861 N -4.57 5.46 0.31 5.81 3.84 -0.94 -3.83 114.94 121.03 3gvl s ASN 861 Ca 0.09 2.78 0.07 0.00 0.21 0.00 0.00 52.86 56.02 3gvl s ASN 861 Cb 0.12 -2.64 0.80 0.00 -0.55 0.00 0.00 41.25 38.98 3gvl s ASN 861 CO 0.57 -1.44 1.76 0.74 -2.79 0.00 0.00 177.10 175.94 3gvl h THR 862 N 1.68 0.65 -3.24 -5.21 2.02 -1.71 -2.47 112.91 104.63 3gvl h THR 862 Ca -0.51 -0.24 -0.79 0.00 0.77 0.00 0.00 66.41 65.65 3gvl h THR 862 Cb 1.29 -0.11 -0.26 0.00 -1.74 0.00 0.00 68.15 67.33 3gvl h THR 862 CO 0.58 0.13 0.67 -1.81 0.37 0.00 0.00 175.52 175.46 3gvl s ASP 863 N -5.35 7.27 0.03 4.18 1.01 -1.26 -5.02 116.67 117.53 3gvl s ASP 863 Ca -0.11 -3.47 -0.30 0.00 0.71 0.00 0.00 52.55 49.38 3gvl s ASP 863 Cb 0.26 -2.25 -0.08 0.00 1.01 0.00 0.00 42.92 41.85 3gvl s ASP 863 CO 0.80 -0.39 1.82 -0.94 0.21 0.00 0.00 175.17 176.67 3gvl s SER 864 N 1.67 6.53 -1.98 0.27 1.04 -0.93 -2.42 113.70 117.87 3gvl s SER 864 Ca 0.34 2.54 0.00 0.00 0.48 0.00 0.00 55.95 59.30 3gvl s SER 864 Cb -0.08 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.50 3gvl s SER 864 CO -0.06 -0.99 0.00 0.54 0.98 0.00 0.00 173.24 173.71 3gvl n ARG 865 N 6.90 -1.51 -2.09 4.02 1.74 -0.88 -4.94 116.66 119.90 3gvl n ARG 865 Ca 0.18 1.12 -0.37 0.00 -0.77 0.00 0.00 57.85 58.01 3gvl n ARG 865 Cb 0.41 -5.60 0.01 0.00 -1.02 0.00 0.00 32.46 26.26 3gvl n ARG 865 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3gvl s ARG 866 N -4.30 3.41 -0.09 5.56 3.52 -1.02 -4.79 118.95 121.24 3gvl s ARG 866 Ca 0.00 1.89 0.03 0.00 -0.13 0.00 0.00 55.73 57.52 3gvl s ARG 866 Cb 0.00 -2.24 0.01 0.00 -1.56 0.00 0.00 34.95 31.16 3gvl s ARG 866 CO 0.00 -0.87 -0.20 0.42 -0.81 0.00 0.00 175.30 173.84 3gvl s ILE 867 N -1.51 1.75 -0.19 4.11 1.01 -1.26 -0.97 121.20 124.13 3gvl s ILE 867 Ca 0.69 -0.83 -0.03 0.00 0.00 0.00 0.00 60.65 60.49 3gvl s ILE 867 Cb -0.31 -1.53 -0.01 0.00 0.01 0.00 0.00 42.46 40.61 3gvl s ILE 867 CO 0.37 0.49 -0.08 -0.69 0.00 0.00 0.00 174.94 175.03 3gvl s VAL 868 N 0.53 3.21 -0.28 2.92 1.01 -0.91 -5.00 120.40 121.89 3gvl s VAL 868 Ca -0.16 -0.56 -0.09 0.00 0.00 0.00 0.00 61.98 61.18 3gvl s VAL 868 Cb -0.17 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.77 3gvl s VAL 868 CO 0.06 0.46 0.11 -0.31 0.00 0.00 0.00 175.10 175.42 3gvl s TYR 869 N 1.13 3.14 -0.32 5.22 2.02 -1.26 -1.27 117.35 126.01 3gvl s TYR 869 Ca 0.01 -0.47 0.00 0.00 -0.37 0.00 0.00 57.07 56.25 3gvl s TYR 869 Cb -0.14 -2.30 0.10 0.00 -0.40 0.00 0.00 41.96 39.22 3gvl s TYR 869 CO -0.02 -0.39 0.08 1.21 -1.57 0.00 0.00 175.55 174.86 3gvl s ASN 870 N 1.62 4.22 0.19 2.29 2.47 0.69 -5.02 114.94 121.41 3gvl s ASN 870 Ca 0.05 -1.77 -0.04 0.00 0.42 0.00 0.00 52.86 51.52 3gvl s ASN 870 Cb -0.16 -1.07 -0.03 0.00 -1.45 0.00 0.00 41.25 38.54 3gvl s ASN 870 CO 0.05 -0.40 0.21 -0.83 -3.72 0.00 0.00 177.10 172.41 3gvl s GLY 871 N 1.43 1.06 0.00 1.21 0.00 -1.26 -0.81 107.32 108.95 3gvl s GLY 871 Ca 0.10 -1.40 0.27 0.00 0.00 0.00 0.00 44.72 43.69 3gvl s GLY 871 CO -0.20 -1.17 1.66 1.22 0.00 0.00 0.00 173.10 174.61 3gvl n ASP 872 N -0.26 0.33 -3.81 1.64 8.00 -1.26 -4.75 116.55 116.45 3gvl n ASP 872 Ca -0.01 -0.04 -0.12 0.00 0.71 0.00 0.00 54.79 55.32 3gvl n ASP 872 Cb 0.64 -0.06 -0.12 0.00 -0.02 0.00 0.00 41.12 41.56 3gvl n ASP 872 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3gvl s GLU 873 N -2.92 0.25 -0.30 -1.24 2.02 -1.26 -5.13 118.70 110.12 3gvl s GLU 873 Ca 0.15 0.22 0.03 0.00 0.02 0.00 0.00 54.97 55.39 3gvl s GLU 873 Cb 0.18 0.12 0.08 0.00 0.10 0.00 0.00 34.13 34.61 3gvl s GLU 873 CO 0.61 -0.03 -0.03 -1.01 0.02 0.00 0.00 175.26 174.81 3gvl s HIS 874 N -0.01 3.50 -0.26 1.61 3.76 -1.26 -5.07 115.29 117.55 3gvl s HIS 874 Ca -0.01 -2.66 -0.01 0.00 -0.15 0.00 0.00 55.06 52.23 3gvl s HIS 874 Cb -0.02 -2.42 0.04 0.00 1.11 0.00 0.00 32.58 31.29 3gvl s HIS 874 CO 0.00 -0.91 -0.06 -0.51 -0.85 0.00 0.00 174.74 172.41 3gvl s LEU 875 N 1.01 3.40 -0.44 0.89 1.43 -1.26 -5.07 118.68 118.63 3gvl s LEU 875 Ca 0.01 -1.08 -0.18 0.00 -1.03 0.00 0.00 54.13 51.85 3gvl s LEU 875 Cb -0.19 -1.65 0.03 0.00 0.03 0.00 0.00 46.19 44.41 3gvl s LEU 875 CO -0.07 -0.17 0.49 -0.36 0.23 0.00 0.00 176.35 176.47 3gvl s PHE 876 N 1.26 3.14 0.02 0.29 0.40 -1.26 -5.05 117.98 116.79 3gvl s PHE 876 Ca -0.03 -0.43 0.00 0.00 -0.60 0.00 0.00 56.93 55.87 3gvl s PHE 876 Cb -0.18 -3.08 -0.04 0.00 0.51 0.00 0.00 43.02 40.23 3gvl s PHE 876 CO -0.04 -0.79 0.09 -1.14 0.70 0.00 0.00 175.22 174.04 3gvl s GLN 877 N 2.24 3.06 0.00 0.44 0.74 -1.26 -4.67 119.66 120.21 3gvl s GLN 877 Ca 0.13 -0.52 0.00 0.00 0.05 0.00 0.00 55.36 55.01 3gvl s GLN 877 Cb -0.18 -2.85 0.00 0.00 1.10 0.00 0.00 33.01 31.08 3gvl s GLN 877 CO 0.13 0.63 0.00 0.43 -0.55 0.00 0.00 175.29 175.93 3gvl n SER 878 N 0.95 0.00 -3.48 6.67 7.64 -1.26 -4.93 113.62 119.21 3gvl n SER 878 Ca -0.11 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.63 3gvl n SER 878 Cb 0.52 -0.26 -0.04 0.00 -1.01 0.00 0.00 64.21 63.43 3gvl n SER 878 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gvl s ALA 879 N -2.78 -1.56 0.68 -0.43 0.00 -1.26 -5.16 121.76 111.25 3gvl s ALA 879 Ca 0.00 0.70 -0.17 0.00 0.00 0.00 0.00 51.96 52.49 3gvl s ALA 879 Cb 0.00 0.56 -0.00 0.00 0.00 0.00 0.00 23.12 23.67 3gvl s ALA 879 CO 0.00 -0.61 1.13 -0.25 0.00 0.00 0.00 175.76 176.03 3gvl n ASP 880 N 0.11 1.28 -4.50 0.00 8.00 -1.26 -4.98 116.55 115.20 3gvl n ASP 880 Ca -0.18 0.75 -0.43 0.00 0.71 0.00 0.00 54.79 55.64 3gvl n ASP 880 Cb 0.62 -1.48 -0.06 0.00 -0.02 0.00 0.00 41.12 40.18 3gvl n ASP 880 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3gvl s VAL 881 N -1.61 4.75 0.14 2.53 1.01 -1.26 -5.05 120.40 120.90 3gvl s VAL 881 Ca 0.78 0.01 0.10 0.00 0.00 0.00 0.00 61.98 62.86 3gvl s VAL 881 Cb -0.37 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 31.67 3gvl s VAL 881 CO 0.45 -0.75 -0.23 -0.54 0.00 0.00 0.00 175.10 174.03 3gvl s LYS 882 N 3.01 1.30 0.53 2.72 1.02 -1.26 -5.13 119.74 121.93 3gvl s LYS 882 Ca 0.23 -1.33 -0.17 0.00 0.02 0.00 0.00 55.97 54.72 3gvl s LYS 882 Cb -0.15 -1.61 -0.07 0.00 -0.52 0.00 0.00 37.83 35.48 3gvl s LYS 882 CO 0.17 0.37 1.01 -1.25 -0.92 0.00 0.00 175.35 174.73 3gvl s PRO 883 N -2.25 3.76 0.15 -1.68 0.04 -1.26 -4.97 135.00 128.79 3gvl s PRO 883 Ca 0.13 1.09 -0.12 0.00 0.04 0.00 0.00 61.00 62.14 3gvl s PRO 883 Cb -0.09 -2.10 0.01 0.00 0.04 0.00 0.00 34.50 32.36 3gvl s PRO 883 CO 0.06 -0.43 1.57 -0.92 0.04 0.00 0.00 177.00 177.32 3gvl h TYR 884 N 0.92 0.99 -1.86 0.56 3.20 -2.00 -3.45 116.97 115.34 3gvl h TYR 884 Ca -0.47 -0.20 -0.49 0.00 3.14 0.00 0.00 58.73 60.71 3gvl h TYR 884 Cb 1.20 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 39.19 3gvl h TYR 884 CO 0.61 0.96 -0.44 -0.80 -1.64 0.00 0.00 178.16 176.85 3gvl s ASN 885 N -6.47 5.40 -0.24 -2.11 -0.87 -1.26 -5.10 114.94 104.29 3gvl s ASN 885 Ca -0.12 -0.44 -0.17 0.00 -1.57 0.00 0.00 52.86 50.57 3gvl s ASN 885 Cb 0.12 -1.04 -0.03 0.00 -0.02 0.00 0.00 41.25 40.27 3gvl s ASN 885 CO 0.83 -0.35 0.45 -0.62 -2.57 0.00 0.00 177.10 174.84 3gvl s ASP 886 N -4.01 6.39 -1.36 -1.22 2.15 -1.26 -4.42 116.67 112.94 3gvl s ASP 886 Ca 0.41 0.47 -0.07 0.00 0.43 0.00 0.00 52.55 53.78 3gvl s ASP 886 Cb -0.06 -2.25 0.02 0.00 -0.30 0.00 0.00 42.92 40.33 3gvl s ASP 886 CO 0.27 -0.20 1.08 -3.20 -0.17 0.00 0.00 175.17 172.95 3gvl n ASN 887 N 5.15 -4.83 0.00 -0.34 5.15 -1.26 -4.89 115.26 114.24 3gvl n ASN 887 Ca -0.06 -0.62 0.00 0.00 -0.60 0.00 0.00 54.58 53.29 3gvl n ASN 887 Cb 0.50 -4.77 0.00 0.00 -0.53 0.00 0.00 39.78 34.98 3gvl n ASN 887 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 3gvl n VAL 888 N -4.72 0.00 -4.38 3.44 0.31 -1.26 -5.08 118.33 106.63 3gvl n VAL 888 Ca -0.07 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.01 3gvl n VAL 888 Cb 0.58 -0.48 -0.10 0.00 -0.91 0.00 0.00 33.84 32.94 3gvl n VAL 888 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3gvl s THR 889 N -1.92 2.83 0.35 2.52 -4.23 -1.26 -5.15 115.64 108.79 3gvl s THR 889 Ca 0.00 -2.05 0.08 0.00 -1.18 0.00 0.00 61.69 58.54 3gvl s THR 889 Cb 0.00 -2.45 -0.04 0.00 1.34 0.00 0.00 72.50 71.35 3gvl s THR 889 CO 0.00 -0.27 0.21 0.00 -0.54 0.00 0.00 174.62 174.02 3gvl s ALA 890 N -2.10 3.65 -0.26 3.99 0.00 -1.26 -5.01 121.76 120.76 3gvl s ALA 890 Ca 0.27 -1.82 -0.20 0.00 0.00 0.00 0.00 51.96 50.22 3gvl s ALA 890 Cb -0.07 -0.83 -0.02 0.00 0.00 0.00 0.00 23.12 22.20 3gvl s ALA 890 CO 0.15 -0.02 0.60 -0.51 0.00 0.00 0.00 175.76 175.98 3gvl s LEU 891 N -3.92 4.07 0.00 0.00 1.43 -1.26 -4.98 118.68 114.02 3gvl s LEU 891 Ca 0.40 0.62 0.00 0.00 -1.03 0.00 0.00 54.13 54.12 3gvl s LEU 891 Cb -0.03 -2.80 0.00 0.00 0.03 0.00 0.00 46.19 43.40 3gvl s LEU 891 CO 0.24 -0.36 0.00 0.61 0.23 0.00 0.00 176.35 177.07 3gvl n GLY 892 N 4.26 -1.80 3.81 -3.19 0.00 -1.26 -4.93 105.19 102.07 3gvl n GLY 892 Ca -0.02 -1.31 -0.08 0.00 0.00 0.00 0.00 46.02 44.61 3gvl n GLY 892 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gvl s GLY 893 N -2.89 0.20 0.49 -0.02 0.00 -0.31 -4.96 107.32 99.83 3gvl s GLY 893 Ca 0.00 -0.58 0.16 0.00 0.00 0.00 0.00 44.72 44.31 3gvl s GLY 893 CO 0.00 -0.25 2.07 -2.55 0.00 0.00 0.00 173.10 172.37 3gvl h PRO 894 N 2.02 0.15 -0.32 2.90 0.11 -2.01 -1.14 132.00 133.70 3gvl h PRO 894 Ca -0.26 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3gvl h PRO 894 Cb 1.25 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3gvl h PRO 894 CO 0.32 0.10 0.00 0.43 -0.21 0.00 0.00 178.00 178.64 3gvl n SER 895 N -4.48 2.94 -3.16 -2.05 7.64 -1.26 -4.62 113.62 108.63 3gvl n SER 895 Ca 0.03 -1.88 -0.21 0.00 1.01 0.00 0.00 58.87 57.82 3gvl n SER 895 Cb 0.26 -0.21 -0.05 0.00 -1.01 0.00 0.00 64.21 63.20 3gvl n SER 895 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3gvl n ASN 896 N 0.89 0.14 -4.78 6.43 4.13 -0.45 -5.12 115.26 116.50 3gvl n ASN 896 Ca 0.14 -2.84 -0.39 0.00 1.68 0.00 0.00 54.58 53.17 3gvl n ASN 896 Cb 0.46 -0.45 -0.06 0.00 -1.54 0.00 0.00 39.78 38.19 3gvl n ASN 896 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 3gvl s ARG 897 N -1.41 4.44 0.36 3.52 0.52 -1.09 -1.17 118.95 124.12 3gvl s ARG 897 Ca 0.36 1.00 -0.26 0.00 -0.52 0.00 0.00 55.73 56.30 3gvl s ARG 897 Cb 0.23 -3.28 -0.09 0.00 0.52 0.00 0.00 34.95 32.33 3gvl s ARG 897 CO -0.11 0.53 1.08 -0.06 0.02 0.00 0.00 175.30 176.76 3gvl s PHE 898 N -0.89 3.36 0.22 -0.53 0.40 -1.26 -4.96 117.98 114.31 3gvl s PHE 898 Ca 0.34 1.66 -0.08 0.00 -0.60 0.00 0.00 56.93 58.24 3gvl s PHE 898 Cb -0.21 -3.21 0.26 0.00 0.51 0.00 0.00 43.02 40.37 3gvl s PHE 898 CO 0.23 -0.67 1.83 1.79 0.70 0.00 0.00 175.22 179.10 3gvl h THR 899 N 2.53 1.02 -2.57 0.64 1.35 -2.04 -3.46 112.91 110.38 3gvl h THR 899 Ca -0.48 -0.28 0.11 0.00 -0.55 0.00 0.00 66.41 65.22 3gvl h THR 899 Cb 1.22 0.13 -0.02 0.00 -1.73 0.00 0.00 68.15 67.75 3gvl h THR 899 CO 0.64 0.15 0.49 1.07 -0.25 0.00 0.00 175.52 177.61 3gvl n THR 900 N -4.71 0.00 -4.50 6.82 5.66 -1.26 -5.16 114.28 111.13 3gvl n THR 900 Ca 0.09 -0.60 -0.27 0.00 -3.05 0.00 0.00 64.05 60.23 3gvl n THR 900 Cb 0.16 0.75 -0.17 0.00 -1.55 0.00 0.00 70.33 69.52 3gvl n THR 900 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3gvl s ALA 901 N -1.96 1.50 -0.39 1.79 0.00 -1.26 -5.11 121.76 116.33 3gvl s ALA 901 Ca 0.20 -0.59 -0.21 0.00 0.00 0.00 0.00 51.96 51.36 3gvl s ALA 901 Cb -0.03 -0.72 0.01 0.00 0.00 0.00 0.00 23.12 22.38 3gvl s ALA 901 CO 0.06 -0.01 0.66 0.71 0.00 0.00 0.00 175.76 177.19 3gvl s TYR 902 N 0.88 3.11 0.13 0.00 1.51 -1.26 -5.04 117.35 116.68 3gvl s TYR 902 Ca -0.10 0.25 0.07 0.00 -1.01 0.00 0.00 57.07 56.28 3gvl s TYR 902 Cb -0.15 -3.26 -0.04 0.00 -0.11 0.00 0.00 41.96 38.40 3gvl s TYR 902 CO 0.01 -0.73 -0.16 -0.51 -1.11 0.00 0.00 175.55 173.05 3gvl s LEU 903 N 2.82 2.40 0.00 -1.29 1.43 -1.26 -5.03 118.68 117.75 3gvl s LEU 903 Ca 0.25 -0.81 0.26 0.00 -1.03 0.00 0.00 54.13 52.80 3gvl s LEU 903 Cb -0.14 -0.67 0.72 0.00 0.03 0.00 0.00 46.19 46.14 3gvl s LEU 903 CO 0.17 -0.09 1.55 0.61 0.23 0.00 0.00 176.35 178.81 3gvl n GLY 904 N 0.51 -0.57 3.54 -3.19 0.00 -1.26 -4.94 105.19 99.29 3gvl n GLY 904 Ca -0.15 -0.42 -0.09 0.00 0.00 0.00 0.00 46.02 45.36 3gvl n GLY 904 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gvl s SER 905 N -2.50 -0.42 0.65 1.61 1.04 -1.26 -5.16 113.70 107.66 3gvl s SER 905 Ca 0.24 -0.13 -0.18 0.00 0.48 0.00 0.00 55.95 56.36 3gvl s SER 905 Cb 0.19 0.54 -0.01 0.00 0.10 0.00 0.00 66.02 66.84 3gvl s SER 905 CO 0.52 -0.91 1.27 0.59 0.98 0.00 0.00 173.24 175.68 3gvl n ASN 906 N -0.36 1.96 -4.69 7.02 3.02 -1.26 -4.93 115.26 116.02 3gvl n ASN 906 Ca -0.11 0.82 -0.43 0.00 -0.03 0.00 0.00 54.58 54.83 3gvl n ASN 906 Cb 0.63 -1.54 -0.01 0.00 -0.61 0.00 0.00 39.78 38.25 3gvl n ASN 906 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 3gvl n PRO 907 N -1.86 2.09 -3.01 3.52 -0.02 -1.26 -4.94 135.00 129.53 3gvl n PRO 907 Ca 0.16 0.73 -0.43 0.00 -2.02 0.00 0.00 63.50 61.94 3gvl n PRO 907 Cb 0.48 -2.31 -0.05 0.00 -0.02 0.00 0.00 33.50 31.60 3gvl n PRO 907 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3gvl s ILE 908 N -1.10 4.64 -0.21 4.25 1.01 -1.26 -5.04 121.20 123.50 3gvl s ILE 908 Ca 0.56 -0.13 -0.06 0.00 0.00 0.00 0.00 60.65 61.02 3gvl s ILE 908 Cb -0.57 -4.41 -0.03 0.00 0.01 0.00 0.00 42.46 37.46 3gvl s ILE 908 CO 0.62 -0.95 0.03 -0.69 0.00 0.00 0.00 174.94 173.95 3gvl s VAL 909 N 3.26 4.21 0.00 2.92 1.01 -1.26 -5.29 120.40 125.25 3gvl s VAL 909 Ca 0.22 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.98 3gvl s VAL 909 Cb -0.16 -2.92 0.00 0.00 0.00 0.00 0.00 36.38 33.30 3gvl s VAL 909 CO 0.15 0.41 0.00 1.07 0.00 0.00 0.00 175.10 176.74