#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bos s PRO 4502N 0.00 3.30 0.59 -2.82 0.04 -1.26 -4.75 135.00 130.10 1bos s PRO 4502Ca 0.00 1.84 -0.20 0.00 0.04 0.00 0.00 61.00 62.68 1bos s PRO 4502Cb 0.00 -2.14 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 1bos s PRO 4502CO 0.00 -0.95 1.33 -0.51 0.04 0.00 0.00 177.00 176.91 1bos s ASP 4503N -1.45 4.94 0.06 6.66 1.11 -1.26 -2.15 116.67 124.58 1bos s ASP 4503Ca 0.72 2.70 0.00 0.00 0.18 0.00 0.00 52.55 56.15 1bos s ASP 4503Cb -0.30 -2.63 0.00 0.00 1.07 0.00 0.00 42.92 41.06 1bos s ASP 4503CO 0.35 -1.78 0.00 0.00 1.18 0.00 0.00 175.17 174.91 1bos s VAL 4505N -2.00 0.12 -0.02 0.00 -7.23 -1.20 -5.01 120.40 105.06 1bos s VAL 4505Ca 0.00 -0.98 0.02 0.00 -1.81 0.00 0.00 61.98 59.21 1bos s VAL 4505Cb 0.00 -0.59 0.01 0.00 0.56 0.00 0.00 36.38 36.36 1bos s VAL 4505CO 0.00 -0.54 -0.06 -0.89 -0.31 0.00 0.00 175.10 173.30 1bos s THR 4506N -1.96 0.54 -3.06 5.32 2.01 -1.26 -1.51 115.64 115.72 1bos s THR 4506Ca -0.11 -0.22 0.00 0.00 0.31 0.00 0.00 61.69 61.68 1bos s THR 4506Cb -0.05 -0.50 0.00 0.00 0.01 0.00 0.00 72.50 71.95 1bos s THR 4506CO -0.02 0.19 0.00 0.61 -0.69 0.00 0.00 174.62 174.71 1bos n GLY 4507N 3.41 -1.81 3.87 4.40 0.00 -0.84 -4.61 105.19 109.62 1bos n GLY 4507Ca -0.19 -1.14 -0.31 0.00 0.00 0.00 0.00 46.02 44.39 1bos n GLY 4507CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bos s LYS 4508N -1.64 3.81 -0.06 1.61 1.02 -1.26 -1.20 119.74 122.03 1bos s LYS 4508Ca 0.00 0.44 -0.30 0.00 0.02 0.00 0.00 55.97 56.13 1bos s LYS 4508Cb 0.00 -2.45 -0.04 0.00 -0.52 0.00 0.00 37.83 34.81 1bos s LYS 4508CO 0.00 0.07 1.39 0.08 -0.92 0.00 0.00 175.35 175.97 1bos s VAL 4509N -2.20 3.90 -0.12 3.17 1.01 -1.26 -4.34 120.40 120.55 1bos s VAL 4509Ca 0.51 1.19 -0.25 0.00 0.00 0.00 0.00 61.98 63.43 1bos s VAL 4509Cb -0.10 -3.77 -0.27 0.00 0.00 0.00 0.00 36.38 32.24 1bos s VAL 4509CO 0.27 -0.05 0.71 -0.08 0.00 0.00 0.00 175.10 175.95 1bos h GLU 4510N 8.19 0.10 -3.27 2.72 4.81 -1.34 -3.47 114.58 122.32 1bos h GLU 4510Ca -0.35 -0.17 -0.03 0.00 -0.13 0.00 0.00 59.36 58.69 1bos h GLU 4510Cb 1.16 0.06 -0.11 0.00 0.63 0.00 0.00 28.75 30.49 1bos h GLU 4510CO 0.93 1.08 0.04 1.52 -0.73 0.00 0.00 179.01 181.85 1bos s TYR 4511N -2.31 -0.21 0.16 0.92 -0.85 -1.25 -5.02 117.35 108.79 1bos s TYR 4511Ca -0.19 -0.11 0.08 0.00 -0.52 0.00 0.00 57.07 56.34 1bos s TYR 4511Cb -0.00 0.40 -0.04 0.00 0.38 0.00 0.00 41.96 42.69 1bos s TYR 4511CO 0.72 -0.86 -0.18 0.95 -1.52 0.00 0.00 175.55 174.66 1bos s THR 4512N -3.84 1.80 -0.02 -3.49 -4.23 -1.26 -1.67 115.64 102.94 1bos s THR 4512Ca 0.06 -1.91 -0.00 0.00 -1.18 0.00 0.00 61.69 58.66 1bos s THR 4512Cb -0.00 -1.83 0.02 0.00 1.34 0.00 0.00 72.50 72.02 1bos s THR 4512CO -0.06 -0.32 0.03 -0.75 -0.54 0.00 0.00 174.62 172.97 1bos s LYS 4513N -2.80 -0.01 -0.13 3.99 2.20 0.08 -4.98 119.74 118.08 1bos s LYS 4513Ca 0.16 0.13 -0.20 0.00 -0.36 0.00 0.00 55.97 55.70 1bos s LYS 4513Cb -0.06 -0.15 -0.04 0.00 -1.51 0.00 0.00 37.83 36.08 1bos s LYS 4513CO 0.06 -0.11 0.56 -0.47 -0.36 0.00 0.00 175.35 175.04 1bos s TYR 4514N 0.67 3.48 0.20 4.03 5.04 -1.26 -0.53 117.35 128.99 1bos s TYR 4514Ca -0.06 0.96 0.04 0.00 -2.44 0.00 0.00 57.07 55.58 1bos s TYR 4514Cb -0.08 -2.67 -0.03 0.00 0.35 0.00 0.00 41.96 39.53 1bos s TYR 4514CO -0.02 0.05 0.31 -0.80 -1.34 0.00 0.00 175.55 173.75 1bos s ASN 4515N 0.83 6.24 0.65 4.32 0.01 -0.70 -4.98 114.94 121.31 1bos s ASN 4515Ca 0.29 0.08 0.43 0.00 -0.71 0.00 0.00 52.86 52.95 1bos s ASN 4515Cb -0.16 -1.83 2.32 0.00 0.41 0.00 0.00 41.25 41.98 1bos s ASN 4515CO 0.12 -0.01 2.34 -0.78 -1.51 0.00 0.00 177.10 177.26 1bos h ASP 4516N 1.68 0.00 -0.67 -1.22 3.58 -1.98 -1.32 116.42 116.49 1bos h ASP 4516Ca -0.50 0.00 -0.19 0.00 0.42 0.00 0.00 57.03 56.76 1bos h ASP 4516Cb 1.21 0.00 -0.12 0.00 1.72 0.00 0.00 39.33 42.15 1bos h ASP 4516CO 0.64 0.00 0.22 -0.90 -2.88 0.00 0.00 179.24 176.33 1bos n ASP 4517N -3.16 4.60 -1.11 2.28 5.75 -1.26 -4.94 116.55 118.71 1bos n ASP 4517Ca -0.03 -3.25 -0.14 0.00 -0.01 0.00 0.00 54.79 51.36 1bos n ASP 4517Cb 0.09 -0.72 -0.06 0.00 -1.03 0.00 0.00 41.12 39.39 1bos n ASP 4517CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1bos n ASP 4518N -0.26 -5.59 -4.75 -1.12 8.00 -0.50 -5.02 116.55 107.31 1bos n ASP 4518Ca 0.39 0.36 -0.26 0.00 0.71 0.00 0.00 54.79 55.99 1bos n ASP 4518Cb 1.32 -4.40 0.09 0.00 -0.02 0.00 0.00 41.12 38.11 1bos n ASP 4518CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1bos s THR 4519N -2.21 2.23 -0.06 -3.53 -4.23 -1.26 -4.90 115.64 101.68 1bos s THR 4519Ca 0.00 -0.32 0.02 0.00 -1.18 0.00 0.00 61.69 60.21 1bos s THR 4519Cb 0.00 -2.91 0.02 0.00 1.34 0.00 0.00 72.50 70.95 1bos s THR 4519CO 0.00 0.00 -0.09 0.12 -0.54 0.00 0.00 174.62 174.11 1bos s PHE 4520N -3.29 1.20 0.00 3.99 5.36 -0.61 -1.72 117.98 122.91 1bos s PHE 4520Ca 0.63 -0.42 -0.01 0.00 -0.96 0.00 0.00 56.93 56.17 1bos s PHE 4520Cb -0.09 -0.93 -0.04 0.00 -0.34 0.00 0.00 43.02 41.63 1bos s PHE 4520CO 0.45 -0.25 0.15 0.99 -1.46 0.00 0.00 175.22 175.11 1bos s THR 4521N 0.77 5.19 0.03 0.12 2.01 0.31 -0.90 115.64 123.17 1bos s THR 4521Ca -0.13 -0.29 0.02 0.00 0.31 0.00 0.00 61.69 61.60 1bos s THR 4521Cb -0.15 -3.43 -0.02 0.00 0.01 0.00 0.00 72.50 68.91 1bos s THR 4521CO 0.02 0.30 -0.07 0.54 -0.69 0.00 0.00 174.62 174.72 1bos s VAL 4522N -1.31 0.48 -0.17 3.82 0.11 -0.12 -0.74 120.40 122.47 1bos s VAL 4522Ca 0.27 -0.81 0.01 0.00 -2.93 0.00 0.00 61.98 58.52 1bos s VAL 4522Cb -0.12 -0.51 0.02 0.00 -1.53 0.00 0.00 36.38 34.24 1bos s VAL 4522CO 0.19 -0.24 -0.16 -0.75 -3.33 0.00 0.00 175.10 170.81 1bos s LYS 4523N -1.13 2.60 -0.04 1.54 2.47 -0.67 -1.39 119.74 123.13 1bos s LYS 4523Ca -0.07 -0.74 0.01 0.00 -1.56 0.00 0.00 55.97 53.61 1bos s LYS 4523Cb -0.08 -2.39 0.02 0.00 -1.46 0.00 0.00 37.83 33.93 1bos s LYS 4523CO 0.00 -0.25 -0.05 0.08 0.16 0.00 0.00 175.35 175.29 1bos s VAL 4524N 1.37 0.54 0.00 4.02 1.01 -0.98 -0.74 120.40 125.61 1bos s VAL 4524Ca 0.04 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.86 1bos s VAL 4524Cb -0.13 -0.54 0.00 0.00 0.00 0.00 0.00 36.38 35.71 1bos s VAL 4524CO -0.11 0.21 0.00 0.61 0.00 0.00 0.00 175.10 175.81 1bos n GLY 4525N 3.80 3.52 0.35 4.51 0.00 -1.26 -2.46 105.19 113.65 1bos n GLY 4525Ca -0.23 -0.08 0.03 0.00 0.00 0.00 0.00 46.02 45.74 1bos n GLY 4525CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1bos n ASP 4526N 7.51 2.38 -4.52 1.61 5.75 -1.26 -5.00 116.55 123.02 1bos n ASP 4526Ca 0.00 -1.88 -0.31 0.00 -0.01 0.00 0.00 54.79 52.58 1bos n ASP 4526Cb 0.00 -0.11 -0.12 0.00 -1.03 0.00 0.00 41.12 39.86 1bos n ASP 4526CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1bos s LYS 4527N -0.93 2.29 -0.24 0.11 -0.14 -1.03 -4.95 119.74 114.86 1bos s LYS 4527Ca 0.13 -0.86 -0.04 0.00 -1.36 0.00 0.00 55.97 53.83 1bos s LYS 4527Cb 0.07 -2.33 0.00 0.00 -1.68 0.00 0.00 37.83 33.89 1bos s LYS 4527CO 0.09 0.57 -0.02 -2.00 -0.76 0.00 0.00 175.35 173.23 1bos s GLU 4528N -1.43 3.21 0.26 1.68 2.12 -1.26 -2.33 118.70 120.95 1bos s GLU 4528Ca 0.16 -0.74 0.06 0.00 0.36 0.00 0.00 54.97 54.80 1bos s GLU 4528Cb -0.11 -3.08 -0.05 0.00 0.26 0.00 0.00 34.13 31.15 1bos s GLU 4528CO 0.06 -0.29 -0.05 -0.51 -0.54 0.00 0.00 175.26 173.94 1bos s LEU 4529N 1.45 2.40 0.15 2.70 1.43 -0.49 -0.46 118.68 125.86 1bos s LEU 4529Ca 0.04 -1.18 0.04 0.00 -1.03 0.00 0.00 54.13 52.00 1bos s LEU 4529Cb -0.15 -0.51 -0.04 0.00 0.03 0.00 0.00 46.19 45.51 1bos s LEU 4529CO -0.02 -0.39 -0.09 0.72 0.23 0.00 0.00 176.35 176.80 1bos s PHE 4530N -3.15 1.25 0.04 0.29 -0.71 -0.53 -0.94 117.98 114.23 1bos s PHE 4530Ca 0.28 -0.78 0.03 0.00 -1.04 0.00 0.00 56.93 55.41 1bos s PHE 4530Cb 0.04 -0.65 -0.02 0.00 -1.21 0.00 0.00 43.02 41.18 1bos s PHE 4530CO 0.10 0.05 -0.08 -0.08 -1.34 0.00 0.00 175.22 173.87 1bos s THR 4531N -3.36 0.61 -2.18 -4.49 -1.32 -0.07 -1.52 115.64 103.30 1bos s THR 4531Ca 0.17 -1.00 0.21 0.00 -1.21 0.00 0.00 61.69 59.86 1bos s THR 4531Cb 0.03 -0.64 0.42 0.00 -1.51 0.00 0.00 72.50 70.80 1bos s THR 4531CO 0.01 -0.29 1.37 -0.46 -2.21 0.00 0.00 174.62 173.03 1bos n ASN 4532N 1.63 3.39 -4.59 8.08 6.94 -1.26 -1.57 115.26 127.87 1bos n ASN 4532Ca -0.21 -1.96 -0.43 0.00 -0.02 0.00 0.00 54.58 51.96 1bos n ASN 4532Cb 0.55 -0.26 -0.04 0.00 -2.36 0.00 0.00 39.78 37.66 1bos n ASN 4532CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1bos s ARG 4533N -1.33 3.73 0.46 -3.83 1.81 -1.26 -4.93 118.95 113.60 1bos s ARG 4533Ca 0.37 0.39 0.16 0.00 -1.72 0.00 0.00 55.73 54.92 1bos s ARG 4533Cb 0.21 -3.84 1.07 0.00 -0.45 0.00 0.00 34.95 31.94 1bos s ARG 4533CO 0.29 -1.00 2.01 -1.49 -0.68 0.00 0.00 175.30 174.43 1bos h TRP 4534N 8.65 0.00 -0.03 -0.53 4.06 -1.91 -2.33 115.95 123.86 1bos h TRP 4534Ca -0.24 0.00 0.01 0.00 2.06 0.00 0.00 58.89 60.72 1bos h TRP 4534Cb 1.08 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.24 1bos h TRP 4534CO 0.83 0.16 0.02 -0.91 -3.56 0.00 0.00 178.44 174.99 1bos h ASN 4535N 0.00 0.00 1.31 -3.49 2.35 -2.01 -1.90 115.58 111.84 1bos h ASN 4535Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1bos h ASN 4535Cb 0.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.66 1bos h ASN 4535CO 0.02 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 175.98 1bos n LEU 4536N -4.28 0.74 0.28 1.61 4.77 -0.88 -4.15 117.00 115.09 1bos n LEU 4536Ca -0.02 0.59 -0.16 0.00 -0.03 0.00 0.00 56.01 56.38 1bos n LEU 4536Cb 0.12 -0.38 -0.08 0.00 -2.33 0.00 0.00 43.42 40.75 1bos n LEU 4536CO 0.32 -0.24 0.69 1.56 -1.33 0.00 0.00 177.39 178.39 1bos h GLN 4537N 0.00 -0.63 0.00 3.23 4.20 -1.49 -0.53 115.11 119.89 1bos h GLN 4537Ca 0.00 0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.67 1bos h GLN 4537Cb 0.66 0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.57 1bos h GLN 4537CO 0.00 -0.41 -0.39 0.66 -0.67 0.00 0.00 178.83 178.02 1bos h SER 4538N -0.68 0.00 -0.24 1.46 4.64 -1.79 -2.24 113.55 114.69 1bos h SER 4538Ca -0.07 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.20 1bos h SER 4538Cb 0.52 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.60 1bos h SER 4538CO 0.11 0.39 -0.06 -0.07 -0.87 0.00 0.00 176.83 176.33 1bos h LEU 4539N 0.00 0.46 -0.66 5.97 3.38 -1.66 -1.24 115.31 121.56 1bos h LEU 4539Ca -0.00 -0.37 -0.13 0.00 0.09 0.00 0.00 57.88 57.46 1bos h LEU 4539Cb 0.91 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1bos h LEU 4539CO 0.05 0.72 -0.41 -0.07 0.09 0.00 0.00 178.44 178.82 1bos h LEU 4540N 0.20 0.60 -1.00 1.67 3.38 -1.03 -1.68 115.31 117.45 1bos h LEU 4540Ca 0.06 -0.27 -0.08 0.00 0.09 0.00 0.00 57.88 57.67 1bos h LEU 4540Cb 0.52 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1bos h LEU 4540CO 0.02 0.94 -0.19 0.25 0.09 0.00 0.00 178.44 179.56 1bos h LEU 4541N 0.47 0.50 -0.65 1.67 5.85 -1.29 -1.19 115.31 120.66 1bos h LEU 4541Ca 0.04 -0.15 -0.12 0.00 0.84 0.00 0.00 57.88 58.49 1bos h LEU 4541Cb 0.92 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 1bos h LEU 4541CO 0.08 0.70 -0.23 0.28 -0.34 0.00 0.00 178.44 178.93 1bos h SER 4542N 0.45 0.83 -0.82 1.25 0.02 -0.96 -0.41 113.55 113.92 1bos h SER 4542Ca 0.08 -0.31 -0.04 0.00 -0.84 0.00 0.00 61.79 60.68 1bos h SER 4542Cb 0.59 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.86 1bos h SER 4542CO 0.04 1.03 0.37 0.00 -1.14 0.00 0.00 176.83 177.13 1bos h ALA 4543N 1.03 1.10 0.37 3.77 0.00 -0.97 -1.29 119.26 123.27 1bos h ALA 4543Ca 0.10 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1bos h ALA 4543Cb 0.75 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1bos h ALA 4543CO 0.06 0.66 -0.18 0.37 0.00 0.00 0.00 179.25 180.16 1bos h GLN 4544N 1.18 -0.48 -0.70 0.00 4.15 -0.71 -1.67 115.11 116.87 1bos h GLN 4544Ca 0.28 0.03 0.11 0.00 0.77 0.00 0.00 58.65 59.84 1bos h GLN 4544Cb 0.15 0.11 -0.08 0.00 0.21 0.00 0.00 27.48 27.87 1bos h GLN 4544CO -0.03 -0.17 0.32 0.82 -1.93 0.00 0.00 178.83 177.83 1bos h ILE 4545N -0.82 0.78 -0.26 2.39 2.04 -1.04 -2.40 117.51 118.20 1bos h ILE 4545Ca -0.05 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.63 1bos h ILE 4545Cb 0.53 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 1bos h ILE 4545CO 0.08 0.10 0.00 0.35 0.00 0.00 0.00 178.15 178.68 1bos n THR 4546N -4.93 0.34 -2.12 -0.27 -2.24 -0.49 -4.95 114.28 99.62 1bos n THR 4546Ca 0.12 -0.47 -0.09 0.00 -2.27 0.00 0.00 64.05 61.34 1bos n THR 4546Cb 0.31 0.47 -0.01 0.00 -2.10 0.00 0.00 70.33 69.01 1bos n THR 4546CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bos n GLY 4547N 1.21 0.06 3.77 3.38 0.00 -0.71 -5.02 105.19 107.88 1bos n GLY 4547Ca 0.16 -0.51 -0.31 0.00 0.00 0.00 0.00 46.02 45.36 1bos n GLY 4547CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1bos s MET 4548N -4.36 2.20 -0.16 1.61 -1.94 -0.72 -5.00 119.30 110.92 1bos s MET 4548Ca 0.00 1.15 -0.12 0.00 -1.71 0.00 0.00 55.69 55.01 1bos s MET 4548Cb 0.00 -1.89 -0.05 0.00 2.01 0.00 0.00 34.83 34.90 1bos s MET 4548CO 0.00 -1.67 0.22 0.99 -0.01 0.00 0.00 175.02 174.54 1bos s THR 4549N -2.91 5.36 0.16 2.05 2.01 -1.07 -4.36 115.64 116.89 1bos s THR 4549Ca 0.61 0.39 0.11 0.00 0.31 0.00 0.00 61.69 63.11 1bos s THR 4549Cb -0.17 -3.55 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 1bos s THR 4549CO 0.56 0.44 -0.24 0.68 -0.69 0.00 0.00 174.62 175.37 1bos s VAL 4550N 0.20 2.40 -0.14 3.82 -7.23 -0.34 -1.63 120.40 117.48 1bos s VAL 4550Ca 0.13 -1.86 0.03 0.00 -1.81 0.00 0.00 61.98 58.47 1bos s VAL 4550Cb -0.12 -2.11 0.01 0.00 0.56 0.00 0.00 36.38 34.71 1bos s VAL 4550CO 0.02 -0.02 -0.22 -0.89 -0.31 0.00 0.00 175.10 173.68 1bos s THR 4551N -1.39 2.07 -0.20 5.32 2.01 -0.81 -1.98 115.64 120.67 1bos s THR 4551Ca 0.18 -0.98 -0.08 0.00 0.31 0.00 0.00 61.69 61.12 1bos s THR 4551Cb -0.09 -1.82 -0.04 0.00 0.01 0.00 0.00 72.50 70.56 1bos s THR 4551CO 0.09 0.55 0.08 -0.63 -0.69 0.00 0.00 174.62 174.02 1bos s ILE 4552N 0.75 4.85 -0.18 1.82 1.01 -0.57 -0.90 121.20 127.98 1bos s ILE 4552Ca -0.09 -0.01 -0.05 0.00 0.00 0.00 0.00 60.65 60.50 1bos s ILE 4552Cb -0.16 -3.21 -0.03 0.00 0.01 0.00 0.00 42.46 39.08 1bos s ILE 4552CO -0.01 0.43 0.01 -0.54 0.00 0.00 0.00 174.94 174.83 1bos s LYS 4553N 0.58 3.74 -0.14 2.79 1.02 -0.93 -0.82 119.74 125.98 1bos s LYS 4553Ca 0.04 -0.47 -0.30 0.00 0.02 0.00 0.00 55.97 55.26 1bos s LYS 4553Cb -0.13 -3.07 0.12 0.00 -0.52 0.00 0.00 37.83 34.23 1bos s LYS 4553CO 0.01 0.16 0.96 -0.08 -0.92 0.00 0.00 175.35 175.48 1bos s THR 4554N 0.62 0.00 -0.32 2.17 -1.32 -0.91 -3.99 115.64 111.88 1bos s THR 4554Ca -0.00 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 60.70 1bos s THR 4554Cb -0.14 -1.00 0.15 0.00 -1.51 0.00 0.00 72.50 70.01 1bos s THR 4554CO 0.02 0.00 1.31 0.78 -2.21 0.00 0.00 174.62 174.52 1bos h ASN 4555N 2.54 0.00 -1.43 8.08 -0.26 -1.87 -3.36 115.58 119.28 1bos h ASN 4555Ca -0.19 0.00 -0.76 0.00 -0.56 0.00 0.00 56.30 54.79 1bos h ASN 4555Cb 1.17 0.00 -0.16 0.00 -1.06 0.00 0.00 38.32 38.27 1bos h ASN 4555CO 0.32 0.04 2.08 0.00 -1.06 0.00 0.00 177.43 178.81 1bos n ALA 4556N -2.15 6.54 -2.23 -0.83 0.00 -1.26 -4.89 120.51 115.69 1bos n ALA 4556Ca 0.02 -4.22 -0.43 0.00 0.00 0.00 0.00 53.44 48.81 1bos n ALA 4556Cb 0.56 -2.66 0.00 0.00 0.00 0.00 0.00 19.45 17.35 1bos n ALA 4556CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bos s HIS 4558N 2.52 -0.23 0.25 0.00 -3.43 -1.26 -5.06 115.29 108.07 1bos s HIS 4558Ca 0.46 -0.08 -0.31 0.00 -0.80 0.00 0.00 55.06 54.33 1bos s HIS 4558Cb 0.09 0.37 -0.12 0.00 -1.43 0.00 0.00 32.58 31.48 1bos s HIS 4558CO -0.02 -0.82 1.57 0.09 -2.00 0.00 0.00 174.74 173.56 1bos n ASN 4559N -0.30 3.51 0.00 7.38 3.02 -1.26 -1.40 115.26 126.20 1bos n ASN 4559Ca -0.14 1.12 0.00 0.00 -0.03 0.00 0.00 54.58 55.54 1bos n ASN 4559Cb 0.63 -1.53 0.00 0.00 -0.61 0.00 0.00 39.78 38.28 1bos n ASN 4559CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bos n GLY 4560N 2.62 1.01 3.78 7.41 0.00 0.40 -4.98 105.19 115.42 1bos n GLY 4560Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 1bos n GLY 4560CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bos s GLY 4561N -1.68 2.33 0.36 -0.02 0.00 -0.49 -4.74 107.32 103.08 1bos s GLY 4561Ca 0.00 0.61 0.01 0.00 0.00 0.00 0.00 44.72 45.34 1bos s GLY 4561CO 0.00 0.96 0.55 -0.32 0.00 0.00 0.00 173.10 174.29 1bos s GLY 4562N -2.31 1.37 0.18 0.20 0.00 -1.26 -1.45 107.32 104.05 1bos s GLY 4562Ca 0.68 -0.97 -0.12 0.00 0.00 0.00 0.00 44.72 44.32 1bos s GLY 4562CO 0.34 -0.89 0.36 -0.11 0.00 0.00 0.00 173.10 172.80 1bos s PHE 4563N -2.33 0.25 0.00 1.90 -0.71 -0.58 -4.56 117.98 111.95 1bos s PHE 4563Ca 0.41 -0.61 0.00 0.00 -1.04 0.00 0.00 56.93 55.69 1bos s PHE 4563Cb -0.10 0.09 0.00 0.00 -1.21 0.00 0.00 43.02 41.80 1bos s PHE 4563CO 0.36 -0.79 0.00 -1.13 -1.34 0.00 0.00 175.22 172.31 1bos n SER 4564N -0.26 0.00 -4.70 1.98 3.41 -1.26 -4.44 113.62 108.34 1bos n SER 4564Ca -0.08 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.17 1bos n SER 4564Cb 0.63 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.50 1bos n SER 4564CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1bos s GLU 4565N 0.00 4.17 -0.01 4.33 2.02 -1.26 -5.06 118.70 122.90 1bos s GLU 4565Ca 0.00 -0.14 0.01 0.00 0.02 0.00 0.00 54.97 54.86 1bos s GLU 4565Cb 0.00 -3.47 0.00 0.00 0.10 0.00 0.00 34.13 30.76 1bos s GLU 4565CO 0.00 0.19 -0.04 0.08 0.02 0.00 0.00 175.26 175.50 1bos s VAL 4566N 0.68 0.35 -0.11 2.63 1.01 -1.26 -2.20 120.40 121.49 1bos s VAL 4566Ca 0.10 -0.17 -0.03 0.00 0.00 0.00 0.00 61.98 61.89 1bos s VAL 4566Cb -0.12 -0.31 -0.03 0.00 0.00 0.00 0.00 36.38 35.91 1bos s VAL 4566CO 0.02 0.11 -0.00 -0.63 0.00 0.00 0.00 175.10 174.60 1bos s ILE 4567N 0.04 4.28 -0.42 2.22 1.01 -0.08 -4.96 121.20 123.29 1bos s ILE 4567Ca 0.00 -0.25 -0.04 0.00 0.00 0.00 0.00 60.65 60.37 1bos s ILE 4567Cb -0.03 -2.83 0.11 0.00 0.01 0.00 0.00 42.46 39.72 1bos s ILE 4567CO -0.00 0.56 0.22 -0.36 0.00 0.00 0.00 174.94 175.36 1bos s PHE 4568N -0.44 3.56 -2.80 3.97 0.08 -1.26 -1.93 117.98 119.15 1bos s PHE 4568Ca 0.08 -2.31 0.26 0.00 0.12 0.00 0.00 56.93 55.07 1bos s PHE 4568Cb -0.12 -3.24 0.53 0.00 -0.57 0.00 0.00 43.02 39.61 1bos s PHE 4568CO 0.02 -0.97 1.45 0.54 -0.10 0.00 0.00 175.22 176.16