#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wbl s THR 2 N 0.00 1.02 -0.03 -0.18 2.01 -1.26 -0.46 115.64 116.74 1wbl s THR 2 Ca 0.00 -0.44 0.04 0.00 0.31 0.00 0.00 61.69 61.60 1wbl s THR 2 Cb 0.00 -0.92 -0.01 0.00 0.01 0.00 0.00 72.50 71.58 1wbl s THR 2 CO 0.00 0.32 -0.16 -0.51 -0.69 0.00 0.00 174.62 173.58 1wbl s ILE 3 N 0.47 1.31 -0.02 1.82 2.07 -0.45 -4.99 121.20 121.40 1wbl s ILE 3 Ca -0.10 -0.67 -0.27 0.00 -1.41 0.00 0.00 60.65 58.20 1wbl s ILE 3 Cb -0.13 -1.11 0.06 0.00 0.13 0.00 0.00 42.46 41.41 1wbl s ILE 3 CO 0.02 0.38 0.61 -0.94 -1.91 0.00 0.00 174.94 173.10 1wbl s SER 4 N -0.11 -0.57 0.19 4.50 1.04 -1.26 -0.60 113.70 116.89 1wbl s SER 4 Ca 0.00 0.51 -0.14 0.00 0.48 0.00 0.00 55.95 56.81 1wbl s SER 4 Cb -0.09 0.51 0.01 0.00 0.10 0.00 0.00 66.02 66.55 1wbl s SER 4 CO 0.01 -0.63 0.43 0.72 0.98 0.00 0.00 173.24 174.74 1wbl s PHE 5 N -1.58 0.12 -0.13 5.02 -0.71 -0.25 -4.99 117.98 115.46 1wbl s PHE 5 Ca -0.10 -0.48 -0.08 0.00 -1.04 0.00 0.00 56.93 55.24 1wbl s PHE 5 Cb -0.01 0.20 0.05 0.00 -1.21 0.00 0.00 43.02 42.05 1wbl s PHE 5 CO 0.06 -0.85 0.32 1.21 -1.34 0.00 0.00 175.22 174.62 1wbl s ASN 6 N -2.92 -0.37 -0.30 1.98 2.47 -1.26 -1.17 114.94 113.38 1wbl s ASN 6 Ca 0.13 0.68 0.03 0.00 0.42 0.00 0.00 52.86 54.12 1wbl s ASN 6 Cb 0.01 0.59 0.08 0.00 -1.45 0.00 0.00 41.25 40.47 1wbl s ASN 6 CO -0.01 -0.16 -0.04 -0.36 -3.72 0.00 0.00 177.10 172.82 1wbl s PHE 7 N 1.04 3.46 -0.24 0.43 0.08 0.21 -4.94 117.98 118.03 1wbl s PHE 7 Ca -0.07 -2.56 0.26 0.00 0.12 0.00 0.00 56.93 54.68 1wbl s PHE 7 Cb -0.08 -2.35 0.66 0.00 -0.57 0.00 0.00 43.02 40.68 1wbl s PHE 7 CO -0.08 -0.90 1.72 -0.91 -0.10 0.00 0.00 175.22 174.95 1wbl h ASN 8 N 7.73 0.00 -3.37 1.36 -0.26 -1.90 -0.63 115.58 118.50 1wbl h ASN 8 Ca -0.13 0.00 0.27 0.00 -0.56 0.00 0.00 56.30 55.88 1wbl h ASN 8 Cb 1.03 0.00 -0.26 0.00 -1.06 0.00 0.00 38.32 38.04 1wbl h ASN 8 CO 0.49 0.04 0.97 0.00 -1.06 0.00 0.00 177.43 177.87 1wbl s GLN 9 N -3.35 0.05 0.05 0.81 0.00 -1.26 -4.75 119.66 111.21 1wbl s GLN 9 Ca 0.05 0.00 -0.10 0.00 -0.00 0.00 0.00 55.36 55.31 1wbl s GLN 9 Cb 0.07 0.02 -0.06 0.00 0.00 0.00 0.00 33.01 33.04 1wbl s GLN 9 CO 0.63 -0.02 0.38 -0.06 0.00 0.00 0.00 175.29 176.23 1wbl s PHE 10 N -1.33 3.61 0.19 9.60 0.08 -0.79 -5.05 117.98 124.29 1wbl s PHE 10 Ca 0.10 0.80 0.07 0.00 0.12 0.00 0.00 56.93 58.02 1wbl s PHE 10 Cb -0.01 -2.16 -0.04 0.00 -0.57 0.00 0.00 43.02 40.24 1wbl s PHE 10 CO -0.06 0.55 0.07 -1.01 -0.10 0.00 0.00 175.22 174.67 1wbl s HIS 11 N -1.33 2.98 0.34 0.36 3.76 -1.26 -4.07 115.29 116.07 1wbl s HIS 11 Ca 0.30 -0.10 -0.29 0.00 -0.15 0.00 0.00 55.06 54.83 1wbl s HIS 11 Cb -0.14 -1.41 -0.11 0.00 1.11 0.00 0.00 32.58 32.02 1wbl s HIS 11 CO 0.17 0.53 1.55 -1.14 -0.85 0.00 0.00 174.74 174.99 1wbl s GLN 12 N -3.19 4.10 -1.16 1.40 2.00 -1.26 -2.91 119.66 118.64 1wbl s GLN 12 Ca 0.30 2.60 -0.22 0.00 -2.00 0.00 0.00 55.36 56.04 1wbl s GLN 12 Cb -0.09 -2.98 -0.00 0.00 0.80 0.00 0.00 33.01 30.73 1wbl s GLN 12 CO 0.21 -0.60 0.77 0.27 -0.50 0.00 0.00 175.29 175.45 1wbl n ASN 13 N 1.19 -5.03 -4.65 6.67 0.23 -1.26 -4.89 115.26 107.51 1wbl n ASN 13 Ca 0.04 -1.05 -0.43 0.00 -0.53 0.00 0.00 54.58 52.62 1wbl n ASN 13 Cb 0.38 -3.19 -0.02 0.00 -2.08 0.00 0.00 39.78 34.87 1wbl n ASN 13 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 1wbl s GLU 14 N -6.15 4.07 0.54 -3.83 2.56 -1.14 -4.89 118.70 109.85 1wbl s GLU 14 Ca 0.46 1.80 0.29 0.00 0.00 0.00 0.00 54.97 57.52 1wbl s GLU 14 Cb -0.18 -3.92 1.53 0.00 2.00 0.00 0.00 34.13 33.57 1wbl s GLU 14 CO 0.87 -0.95 2.10 1.05 -0.56 0.00 0.00 175.26 177.78 1wbl h GLU 15 N 9.42 0.00 0.00 4.30 4.11 -1.92 -2.78 114.58 127.71 1wbl h GLU 15 Ca -0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.11 1wbl h GLU 15 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1wbl h GLU 15 CO 0.98 0.10 0.00 1.04 0.07 0.00 0.00 179.01 181.19 1wbl n GLN 16 N -3.60 0.01 -4.41 1.06 1.13 -1.26 -4.81 117.38 105.51 1wbl n GLN 16 Ca -0.02 0.04 -0.24 0.00 -1.94 0.00 0.00 57.00 54.83 1wbl n GLN 16 Cb 0.22 -1.52 -0.09 0.00 0.11 0.00 0.00 30.24 28.96 1wbl n GLN 16 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1wbl s LEU 17 N -3.08 2.75 -0.29 1.08 1.43 -1.05 0.28 118.68 119.81 1wbl s LEU 17 Ca 0.13 -0.88 0.01 0.00 -1.03 0.00 0.00 54.13 52.37 1wbl s LEU 17 Cb 0.18 -1.31 0.08 0.00 0.03 0.00 0.00 46.19 45.17 1wbl s LEU 17 CO 0.51 0.05 0.01 -0.54 0.23 0.00 0.00 176.35 176.61 1wbl s LYS 18 N -3.38 1.37 0.21 1.70 -0.14 0.13 -4.70 119.74 114.93 1wbl s LYS 18 Ca 0.29 -1.30 -0.18 0.00 -1.36 0.00 0.00 55.97 53.42 1wbl s LYS 18 Cb -0.06 -2.64 -0.08 0.00 -1.68 0.00 0.00 37.83 33.37 1wbl s LYS 18 CO 0.15 -0.80 0.68 -0.51 -0.76 0.00 0.00 175.35 174.12 1wbl s LEU 19 N 1.29 4.34 0.03 3.17 2.01 -1.26 -0.99 118.68 127.26 1wbl s LEU 19 Ca 0.03 1.34 0.02 0.00 0.01 0.00 0.00 54.13 55.53 1wbl s LEU 19 Cb -0.19 -3.52 -0.02 0.00 0.01 0.00 0.00 46.19 42.48 1wbl s LEU 19 CO -0.11 0.05 -0.07 -1.10 1.01 0.00 0.00 176.35 176.12 1wbl s GLN 20 N -1.98 0.50 6.46 1.70 -0.21 0.56 -4.98 119.66 121.71 1wbl s GLN 20 Ca 0.42 -0.60 0.00 0.00 0.02 0.00 0.00 55.36 55.20 1wbl s GLN 20 Cb -0.16 -0.32 0.00 0.00 1.00 0.00 0.00 33.01 33.53 1wbl s GLN 20 CO 0.20 0.07 0.00 0.54 -2.12 0.00 0.00 175.29 173.98 1wbl n ARG 21 N 1.88 0.00 0.17 2.91 5.12 -1.26 -1.98 116.66 123.50 1wbl n ARG 21 Ca -0.20 0.00 0.13 0.00 -1.93 0.00 0.00 57.85 55.85 1wbl n ARG 21 Cb 0.56 0.00 0.52 0.00 -1.16 0.00 0.00 32.46 32.38 1wbl n ARG 21 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 1wbl h ASP 22 N 2.43 0.00 -2.71 0.55 3.32 -1.20 -3.46 116.42 115.35 1wbl h ASP 22 Ca 0.00 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.46 1wbl h ASP 22 Cb 0.00 0.00 0.09 0.00 0.22 0.00 0.00 39.33 39.64 1wbl h ASP 22 CO 0.00 0.00 0.56 0.00 -1.72 0.00 0.00 179.24 178.08 1wbl n ALA 23 N -1.87 0.96 -3.09 3.45 0.00 -0.64 -4.46 120.51 114.87 1wbl n ALA 23 Ca 0.02 0.41 -0.09 0.00 0.00 0.00 0.00 53.44 53.78 1wbl n ALA 23 Cb 0.28 -2.24 -0.05 0.00 0.00 0.00 0.00 19.45 17.43 1wbl n ALA 23 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1wbl s ARG 24 N -0.67 1.42 -0.23 0.00 1.70 0.30 -4.63 118.95 116.84 1wbl s ARG 24 Ca 0.66 -1.16 0.01 0.00 -0.47 0.00 0.00 55.73 54.78 1wbl s ARG 24 Cb -0.65 0.46 0.04 0.00 -0.57 0.00 0.00 34.95 34.23 1wbl s ARG 24 CO 0.52 -0.58 -0.13 0.42 -1.08 0.00 0.00 175.30 174.45 1wbl s ILE 25 N -3.98 2.29 0.93 4.99 1.01 -1.26 -0.41 121.20 124.76 1wbl s ILE 25 Ca 0.19 -1.28 -0.12 0.00 0.00 0.00 0.00 60.65 59.43 1wbl s ILE 25 Cb 0.00 -2.18 0.15 0.00 0.01 0.00 0.00 42.46 40.44 1wbl s ILE 25 CO 0.05 0.20 1.09 -0.94 0.00 0.00 0.00 174.94 175.34 1wbl s SER 26 N 1.21 3.23 0.52 3.58 1.04 -0.26 -4.70 113.70 118.31 1wbl s SER 26 Ca -0.02 1.37 0.24 0.00 0.48 0.00 0.00 55.95 58.01 1wbl s SER 26 Cb -0.17 -2.04 1.40 0.00 0.10 0.00 0.00 66.02 65.31 1wbl s SER 26 CO -0.07 -2.78 2.10 0.77 0.98 0.00 0.00 173.24 174.23 1wbl h SER 27 N -1.65 0.00 0.00 7.02 4.64 -1.96 -1.88 113.55 119.72 1wbl h SER 27 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 1wbl h SER 27 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1wbl h SER 27 CO 0.56 0.10 0.00 0.59 -0.87 0.00 0.00 176.83 177.21 1wbl n ASN 28 N -3.93 0.36 -0.91 4.97 4.13 -1.26 -4.85 115.26 113.77 1wbl n ASN 28 Ca -0.02 -1.80 -0.10 0.00 1.68 0.00 0.00 54.58 54.33 1wbl n ASN 28 Cb 0.20 -0.18 -0.03 0.00 -1.54 0.00 0.00 39.78 38.23 1wbl n ASN 28 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1wbl n SER 29 N -0.28 -3.91 -4.59 6.41 3.41 -0.71 -4.98 113.62 108.96 1wbl n SER 29 Ca 0.00 0.16 -0.30 0.00 -0.26 0.00 0.00 58.87 58.46 1wbl n SER 29 Cb 0.09 -2.61 -0.10 0.00 -0.26 0.00 0.00 64.21 61.33 1wbl n SER 29 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1wbl s VAL 30 N -2.42 3.51 -0.42 -3.33 0.11 -1.25 -1.88 120.40 114.72 1wbl s VAL 30 Ca 0.00 -1.09 -0.16 0.00 -2.93 0.00 0.00 61.98 57.80 1wbl s VAL 30 Cb 0.00 -2.60 0.02 0.00 -1.53 0.00 0.00 36.38 32.27 1wbl s VAL 30 CO 0.00 0.20 0.37 -0.22 -3.33 0.00 0.00 175.10 172.12 1wbl s LEU 31 N -1.97 5.00 -0.48 2.54 2.96 -0.84 -1.10 118.68 124.78 1wbl s LEU 31 Ca 0.20 -0.80 -0.15 0.00 -0.22 0.00 0.00 54.13 53.17 1wbl s LEU 31 Cb -0.11 -2.27 0.09 0.00 0.50 0.00 0.00 46.19 44.40 1wbl s LEU 31 CO 0.12 -0.51 0.40 -1.61 -1.32 0.00 0.00 176.35 173.43 1wbl s GLU 32 N 1.90 2.91 0.13 1.98 2.02 0.45 -0.68 118.70 127.40 1wbl s GLU 32 Ca 0.08 -1.48 -0.14 0.00 0.02 0.00 0.00 54.97 53.46 1wbl s GLU 32 Cb -0.18 -4.12 -0.02 0.00 0.10 0.00 0.00 34.13 29.90 1wbl s GLU 32 CO 0.12 -1.11 1.55 -0.07 0.02 0.00 0.00 175.26 175.77 1wbl h LEU 33 N 8.73 0.75 -9.29 1.80 3.38 -1.75 0.86 115.31 119.80 1wbl h LEU 33 Ca -0.28 -0.34 -0.67 0.00 0.09 0.00 0.00 57.88 56.69 1wbl h LEU 33 Cb 1.10 -0.20 -0.15 0.00 0.09 0.00 0.00 40.66 41.50 1wbl h LEU 33 CO 0.91 0.91 -0.68 0.42 0.09 0.00 0.00 178.44 180.08 1wbl s THR 34 N -4.89 3.85 0.33 0.22 -4.23 -1.26 -1.62 115.64 108.05 1wbl s THR 34 Ca -0.13 -0.75 -0.27 0.00 -1.18 0.00 0.00 61.69 59.36 1wbl s THR 34 Cb 0.10 -2.71 -0.13 0.00 1.34 0.00 0.00 72.50 71.10 1wbl s THR 34 CO 0.81 0.35 1.10 1.17 -0.54 0.00 0.00 174.62 177.51 1wbl n LYS 35 N 1.38 1.61 -3.43 3.99 4.81 -1.26 -4.71 118.16 120.55 1wbl n LYS 35 Ca -0.15 0.57 -0.13 0.00 -0.87 0.00 0.00 58.31 57.74 1wbl n LYS 35 Cb 0.53 -2.04 -0.10 0.00 0.02 0.00 0.00 35.03 33.44 1wbl n LYS 35 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1wbl s VAL 36 N -1.11 -0.50 -0.32 3.15 0.11 -1.26 -2.38 120.40 118.10 1wbl s VAL 36 Ca 0.58 -0.05 -0.10 0.00 -2.93 0.00 0.00 61.98 59.48 1wbl s VAL 36 Cb -0.63 -0.74 -0.01 0.00 -1.53 0.00 0.00 36.38 33.48 1wbl s VAL 36 CO 0.60 -0.13 0.17 0.68 -3.33 0.00 0.00 175.10 173.10 1wbl s VAL 37 N 2.46 4.73 -1.19 2.04 -7.23 0.07 -4.59 120.40 116.68 1wbl s VAL 37 Ca 0.09 -0.41 -0.02 0.00 -1.81 0.00 0.00 61.98 59.82 1wbl s VAL 37 Cb -0.15 -3.43 -0.01 0.00 0.56 0.00 0.00 36.38 33.34 1wbl s VAL 37 CO -0.14 0.03 0.89 0.59 -0.31 0.00 0.00 175.10 176.16 1wbl n ASN 38 N 5.01 -2.94 0.00 4.85 5.03 -1.26 -2.14 115.26 123.80 1wbl n ASN 38 Ca -0.13 -0.71 0.00 0.00 0.87 0.00 0.00 54.58 54.60 1wbl n ASN 38 Cb 0.49 -4.77 0.00 0.00 -1.02 0.00 0.00 39.78 34.48 1wbl n ASN 38 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1wbl n GLY 39 N -1.30 0.32 3.04 7.41 0.00 -1.26 -4.99 105.19 108.41 1wbl n GLY 39 Ca -0.24 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 1wbl n GLY 39 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wbl s VAL 40 N -1.74 1.60 0.34 1.61 1.01 -0.91 -5.11 120.40 117.20 1wbl s VAL 40 Ca 0.00 -0.66 -0.29 0.00 0.00 0.00 0.00 61.98 61.03 1wbl s VAL 40 Cb 0.00 -1.48 -0.10 0.00 0.00 0.00 0.00 36.38 34.79 1wbl s VAL 40 CO 0.00 0.46 1.36 -2.16 0.00 0.00 0.00 175.10 174.77 1wbl s PRO 41 N 1.32 4.28 0.20 2.72 0.04 -1.26 -0.75 135.00 141.55 1wbl s PRO 41 Ca 0.01 2.32 0.05 0.00 0.04 0.00 0.00 61.00 63.43 1wbl s PRO 41 Cb -0.13 -3.05 -0.04 0.00 0.04 0.00 0.00 34.50 31.32 1wbl s PRO 41 CO -0.08 -0.29 0.21 0.99 0.04 0.00 0.00 177.00 177.86 1wbl s THR 42 N -1.06 4.69 0.53 1.26 2.01 -1.00 -4.79 115.64 117.28 1wbl s THR 42 Ca 0.51 -1.13 -0.04 0.00 0.31 0.00 0.00 61.69 61.34 1wbl s THR 42 Cb -0.42 -3.47 0.11 0.00 0.01 0.00 0.00 72.50 68.74 1wbl s THR 42 CO 0.55 -0.22 0.72 -2.67 -0.69 0.00 0.00 174.62 172.31 1wbl n TRP 43 N -0.80 -3.47 -3.81 4.92 4.27 -1.26 -4.50 117.44 112.79 1wbl n TRP 43 Ca -0.08 -0.96 -0.24 0.00 -3.89 0.00 0.00 57.50 52.33 1wbl n TRP 43 Cb 0.56 -0.54 0.01 0.00 -1.36 0.00 0.00 31.31 29.98 1wbl n TRP 43 CO 0.00 0.00 0.00 -1.71 -2.29 0.00 0.00 177.69 173.69 1wbl n ASN 44 N -3.19 -1.18 -4.11 -0.67 5.15 0.22 -4.88 115.26 106.59 1wbl n ASN 44 Ca 0.10 -0.88 -0.19 0.00 -0.60 0.00 0.00 54.58 53.01 1wbl n ASN 44 Cb 0.37 -3.68 -0.13 0.00 -0.53 0.00 0.00 39.78 35.81 1wbl n ASN 44 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1wbl s SER 45 N -4.27 1.45 -0.14 1.20 0.15 -1.26 -4.98 113.70 105.85 1wbl s SER 45 Ca 0.07 -0.43 -0.12 0.00 0.70 0.00 0.00 55.95 56.17 1wbl s SER 45 Cb -0.03 -0.08 0.04 0.00 -1.71 0.00 0.00 66.02 64.23 1wbl s SER 45 CO 0.84 0.00 0.37 -0.89 1.20 0.00 0.00 173.24 174.76 1wbl s THR 46 N -0.85 -0.01 0.00 6.45 2.01 -1.26 -0.78 115.64 121.21 1wbl s THR 46 Ca 0.00 0.02 -0.18 0.00 0.31 0.00 0.00 61.69 61.85 1wbl s THR 46 Cb -0.08 -0.52 0.03 0.00 0.01 0.00 0.00 72.50 71.95 1wbl s THR 46 CO 0.01 0.01 0.38 -0.83 -0.69 0.00 0.00 174.62 173.50 1wbl s GLY 47 N 0.45 -0.23 0.05 4.40 0.00 -0.77 -0.80 107.32 110.41 1wbl s GLY 47 Ca -0.02 0.40 0.01 0.00 0.00 0.00 0.00 44.72 45.11 1wbl s GLY 47 CO -0.02 0.16 -0.05 0.50 0.00 0.00 0.00 173.10 173.69 1wbl s ARG 48 N -1.78 0.55 -0.08 2.90 0.52 -0.84 -1.44 118.95 118.79 1wbl s ARG 48 Ca -0.10 -0.93 -0.03 0.00 -0.52 0.00 0.00 55.73 54.15 1wbl s ARG 48 Cb -0.03 -0.08 0.05 0.00 0.52 0.00 0.00 34.95 35.41 1wbl s ARG 48 CO 0.02 -0.02 0.17 0.00 0.02 0.00 0.00 175.30 175.49 1wbl s ALA 49 N -2.36 -0.23 0.15 2.13 0.00 -0.93 -0.32 121.76 120.20 1wbl s ALA 49 Ca -0.04 0.63 0.10 0.00 0.00 0.00 0.00 51.96 52.65 1wbl s ALA 49 Cb -0.03 -0.75 -0.04 0.00 0.00 0.00 0.00 23.12 22.30 1wbl s ALA 49 CO -0.03 -0.47 -0.23 -0.51 0.00 0.00 0.00 175.76 174.52 1wbl s LEU 50 N 2.03 2.37 0.07 0.00 2.01 -0.17 -1.27 118.68 123.73 1wbl s LEU 50 Ca -0.00 -0.79 -0.31 0.00 0.01 0.00 0.00 54.13 53.04 1wbl s LEU 50 Cb -0.12 -1.05 -0.06 0.00 0.01 0.00 0.00 46.19 44.98 1wbl s LEU 50 CO -0.06 0.09 1.20 -0.47 1.01 0.00 0.00 176.35 178.12 1wbl s TYR 51 N -1.46 3.44 0.40 0.29 5.04 -0.42 0.22 117.35 124.85 1wbl s TYR 51 Ca 0.15 1.30 0.23 0.00 -2.44 0.00 0.00 57.07 56.31 1wbl s TYR 51 Cb -0.09 -3.43 1.27 0.00 0.35 0.00 0.00 41.96 40.06 1wbl s TYR 51 CO 0.07 -1.29 1.67 0.00 -1.34 0.00 0.00 175.55 174.65 1wbl h ALA 52 N 6.66 2.41 -3.23 3.97 0.00 -0.45 -3.42 119.26 125.19 1wbl h ALA 52 Ca -0.42 0.13 -0.65 0.00 0.00 0.00 0.00 54.91 53.97 1wbl h ALA 52 Cb 1.21 0.16 -0.11 0.00 0.00 0.00 0.00 17.79 19.05 1wbl h ALA 52 CO 0.81 -0.99 -0.61 0.15 0.00 0.00 0.00 179.25 178.61 1wbl s LYS 53 N -5.44 2.84 0.40 0.00 1.02 -1.26 -5.02 119.74 112.28 1wbl s LYS 53 Ca -0.08 -0.66 -0.23 0.00 0.02 0.00 0.00 55.97 55.02 1wbl s LYS 53 Cb 0.29 -2.71 -0.10 0.00 -0.52 0.00 0.00 37.83 34.78 1wbl s LYS 53 CO 0.81 0.59 0.96 -1.25 -0.92 0.00 0.00 175.35 175.53 1wbl s PRO 54 N -2.09 4.31 0.14 -1.68 0.04 -1.26 -4.82 135.00 129.64 1wbl s PRO 54 Ca 0.26 1.21 0.08 0.00 0.04 0.00 0.00 61.00 62.58 1wbl s PRO 54 Cb -0.12 -2.37 -0.04 0.00 0.04 0.00 0.00 34.50 32.01 1wbl s PRO 54 CO 0.17 0.04 -0.08 0.14 0.04 0.00 0.00 177.00 177.31 1wbl s VAL 55 N -1.98 3.37 -0.37 -0.36 -7.23 -0.25 -4.89 120.40 108.69 1wbl s VAL 55 Ca 0.59 -1.41 -0.16 0.00 -1.81 0.00 0.00 61.98 59.18 1wbl s VAL 55 Cb -0.13 -2.62 -0.00 0.00 0.56 0.00 0.00 36.38 34.19 1wbl s VAL 55 CO 0.17 0.01 0.39 -1.58 -0.31 0.00 0.00 175.10 173.78 1wbl s GLN 56 N -2.51 3.42 0.05 4.82 0.74 -1.26 -0.55 119.66 124.37 1wbl s GLN 56 Ca 0.23 -0.51 0.24 0.00 0.05 0.00 0.00 55.36 55.38 1wbl s GLN 56 Cb -0.10 -3.86 0.40 0.00 1.10 0.00 0.00 33.01 30.56 1wbl s GLN 56 CO 0.15 -0.64 1.34 1.33 -0.55 0.00 0.00 175.29 176.93 1wbl n VAL 57 N 5.31 0.16 -3.60 1.34 0.24 0.05 -4.71 118.33 117.12 1wbl n VAL 57 Ca -0.08 -0.14 -0.06 0.00 -2.04 0.00 0.00 64.34 62.02 1wbl n VAL 57 Cb 0.49 0.07 -0.02 0.00 -1.47 0.00 0.00 33.84 32.91 1wbl n VAL 57 CO 0.00 0.00 0.00 -1.66 -2.14 0.00 0.00 176.83 173.03 1wbl s TRP 58 N -3.09 -0.25 -0.09 6.34 1.48 -1.23 0.66 118.94 122.76 1wbl s TRP 58 Ca 0.08 0.05 0.00 0.00 -1.06 0.00 0.00 56.10 55.18 1wbl s TRP 58 Cb 0.15 0.58 0.02 0.00 -1.16 0.00 0.00 33.47 33.06 1wbl s TRP 58 CO 0.72 -0.63 -0.08 0.34 -4.06 0.00 0.00 176.95 173.23 1wbl s ASP 59 N -2.66 1.91 0.28 -2.66 2.15 -0.28 -4.64 116.67 110.77 1wbl s ASP 59 Ca 0.08 -0.27 0.03 0.00 0.43 0.00 0.00 52.55 52.82 1wbl s ASP 59 Cb -0.01 -0.78 0.42 0.00 -0.30 0.00 0.00 42.92 42.25 1wbl s ASP 59 CO -0.05 -0.07 1.71 -1.28 -0.17 0.00 0.00 175.17 175.31 1wbl h SER 60 N 7.74 0.43 -0.19 -0.34 0.87 -1.94 0.80 113.55 120.92 1wbl h SER 60 Ca -0.30 -0.16 0.03 0.00 -1.23 0.00 0.00 61.79 60.13 1wbl h SER 60 Cb 1.15 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.96 1wbl h SER 60 CO 0.42 0.72 0.01 0.74 -0.53 0.00 0.00 176.83 178.20 1wbl h THR 61 N 0.37 0.89 0.00 2.23 2.02 -1.97 -3.17 112.91 113.27 1wbl h THR 61 Ca 0.05 -0.03 -0.14 0.00 0.77 0.00 0.00 66.41 67.06 1wbl h THR 61 Cb 0.71 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.90 1wbl h THR 61 CO 0.05 0.01 -1.84 0.35 0.37 0.00 0.00 175.52 174.47 1wbl n THR 62 N -5.11 0.74 -1.10 3.16 -2.24 -1.22 -4.99 114.28 103.52 1wbl n THR 62 Ca -0.03 -0.65 -0.01 0.00 -2.27 0.00 0.00 64.05 61.09 1wbl n THR 62 Cb 0.10 -0.35 -0.00 0.00 -2.10 0.00 0.00 70.33 67.97 1wbl n THR 62 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wbl n GLY 63 N 1.41 0.46 3.71 3.38 0.00 0.28 -5.02 105.19 109.40 1wbl n GLY 63 Ca -0.13 -1.02 -0.39 0.00 0.00 0.00 0.00 46.02 44.48 1wbl n GLY 63 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wbl s ASN 64 N -2.98 6.77 -0.03 1.61 0.02 -1.06 -4.85 114.94 114.42 1wbl s ASN 64 Ca 0.00 0.92 -0.03 0.00 -1.02 0.00 0.00 52.86 52.74 1wbl s ASN 64 Cb 0.00 -2.34 -0.04 0.00 0.02 0.00 0.00 41.25 38.90 1wbl s ASN 64 CO 0.00 -0.09 0.13 0.54 0.02 0.00 0.00 177.10 177.69 1wbl s VAL 65 N 0.96 5.12 0.42 1.60 0.11 -1.26 -1.13 120.40 126.23 1wbl s VAL 65 Ca 0.30 -0.20 -0.22 0.00 -2.93 0.00 0.00 61.98 58.93 1wbl s VAL 65 Cb -0.16 -3.34 -0.10 0.00 -1.53 0.00 0.00 36.38 31.25 1wbl s VAL 65 CO 0.13 0.40 0.97 0.00 -3.33 0.00 0.00 175.10 173.27 1wbl s ALA 66 N -1.20 3.04 0.02 1.54 0.00 0.21 -4.78 121.76 120.59 1wbl s ALA 66 Ca 0.23 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.67 1wbl s ALA 66 Cb -0.12 -3.18 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 1wbl s ALA 66 CO 0.14 0.03 0.10 -1.12 0.00 0.00 0.00 175.76 174.90 1wbl s SER 67 N -2.01 5.74 0.11 0.00 0.01 -0.79 -4.50 113.70 112.26 1wbl s SER 67 Ca 0.61 0.13 -0.11 0.00 1.31 0.00 0.00 55.95 57.88 1wbl s SER 67 Cb -0.13 -1.64 0.01 0.00 0.21 0.00 0.00 66.02 64.47 1wbl s SER 67 CO 0.17 0.24 0.27 0.72 0.41 0.00 0.00 173.24 175.05 1wbl s PHE 68 N -1.28 0.04 -0.05 2.43 -0.12 -0.91 -0.52 117.98 117.57 1wbl s PHE 68 Ca 0.26 -0.43 -0.02 0.00 -0.05 0.00 0.00 56.93 56.69 1wbl s PHE 68 Cb -0.12 0.06 0.04 0.00 -0.63 0.00 0.00 43.02 42.36 1wbl s PHE 68 CO 0.18 -0.62 0.11 -2.00 -0.05 0.00 0.00 175.22 172.84 1wbl s GLU 69 N -3.85 0.05 -0.00 1.99 2.12 0.16 -1.27 118.70 117.90 1wbl s GLU 69 Ca 0.05 0.33 0.02 0.00 0.36 0.00 0.00 54.97 55.73 1wbl s GLU 69 Cb 0.04 -0.21 -0.00 0.00 0.26 0.00 0.00 34.13 34.21 1wbl s GLU 69 CO -0.10 -0.18 -0.05 -0.08 -0.54 0.00 0.00 175.26 174.31 1wbl s THR 70 N 1.22 0.40 -0.03 -1.70 -1.32 -0.22 -1.52 115.64 112.48 1wbl s THR 70 Ca -0.08 -0.24 0.02 0.00 -1.21 0.00 0.00 61.69 60.18 1wbl s THR 70 Cb -0.12 -0.34 0.01 0.00 -1.51 0.00 0.00 72.50 70.53 1wbl s THR 70 CO -0.05 0.10 -0.08 -0.13 -2.21 0.00 0.00 174.62 172.25 1wbl s ARG 71 N -0.16 0.88 0.09 7.08 0.52 -0.54 -0.52 118.95 126.30 1wbl s ARG 71 Ca 0.02 -0.25 -0.15 0.00 -0.52 0.00 0.00 55.73 54.83 1wbl s ARG 71 Cb -0.02 -0.83 0.03 0.00 0.52 0.00 0.00 34.95 34.64 1wbl s ARG 71 CO -0.00 0.07 0.35 -0.59 0.02 0.00 0.00 175.30 175.15 1wbl s PHE 72 N 0.32 -0.14 -0.08 -0.53 -0.71 -1.02 -0.86 117.98 114.96 1wbl s PHE 72 Ca -0.05 -0.10 0.04 0.00 -1.04 0.00 0.00 56.93 55.79 1wbl s PHE 72 Cb -0.09 0.17 -0.01 0.00 -1.21 0.00 0.00 43.02 41.88 1wbl s PHE 72 CO 0.00 -0.61 -0.22 -1.12 -1.34 0.00 0.00 175.22 171.94 1wbl s SER 73 N -2.51 3.35 0.37 1.98 0.01 -1.03 -1.13 113.70 114.74 1wbl s SER 73 Ca 0.00 -0.45 0.04 0.00 1.31 0.00 0.00 55.95 56.85 1wbl s SER 73 Cb 0.01 -1.09 -0.06 0.00 0.21 0.00 0.00 66.02 65.10 1wbl s SER 73 CO -0.08 0.23 0.06 0.72 0.41 0.00 0.00 173.24 174.57 1wbl s PHE 74 N -0.04 2.04 -0.13 2.43 -0.12 -0.70 -0.38 117.98 121.08 1wbl s PHE 74 Ca -0.06 -0.95 -0.06 0.00 -0.05 0.00 0.00 56.93 55.81 1wbl s PHE 74 Cb -0.15 -1.39 0.06 0.00 -0.63 0.00 0.00 43.02 40.92 1wbl s PHE 74 CO 0.05 0.06 0.29 0.45 -0.05 0.00 0.00 175.22 176.02 1wbl s SER 75 N -3.58 0.04 -0.27 1.98 0.15 0.03 -1.05 113.70 111.01 1wbl s SER 75 Ca 0.32 0.65 0.01 0.00 0.70 0.00 0.00 55.95 57.63 1wbl s SER 75 Cb 0.08 0.70 0.05 0.00 -1.71 0.00 0.00 66.02 65.14 1wbl s SER 75 CO 0.15 -0.22 -0.07 -0.63 1.20 0.00 0.00 173.24 173.67 1wbl s ILE 76 N 2.05 2.50 -0.31 6.45 1.01 -1.26 -0.80 121.20 130.84 1wbl s ILE 76 Ca -0.03 -1.45 -0.10 0.00 0.00 0.00 0.00 60.65 59.07 1wbl s ILE 76 Cb -0.11 -2.42 -0.01 0.00 0.01 0.00 0.00 42.46 39.93 1wbl s ILE 76 CO -0.09 0.00 0.16 -0.60 0.00 0.00 0.00 174.94 174.41 1wbl s ARG 77 N 1.18 3.36 -0.84 2.79 3.52 -1.26 -0.61 118.95 127.10 1wbl s ARG 77 Ca -0.06 -0.71 -0.11 0.00 -0.13 0.00 0.00 55.73 54.72 1wbl s ARG 77 Cb -0.19 -3.58 0.22 0.00 -1.56 0.00 0.00 34.95 29.84 1wbl s ARG 77 CO -0.04 -0.41 0.77 -0.65 -0.81 0.00 0.00 175.30 174.16 1wbl s GLN 78 N 1.62 3.53 0.14 5.12 -0.21 -1.26 -1.80 119.66 126.80 1wbl s GLN 78 Ca 0.05 -2.62 -0.14 0.00 0.02 0.00 0.00 55.36 52.67 1wbl s GLN 78 Cb -0.17 -4.33 0.02 0.00 1.00 0.00 0.00 33.01 29.53 1wbl s GLN 78 CO 0.07 -1.27 1.67 -1.35 -2.12 0.00 0.00 175.29 172.29 1wbl h PRO 79 N 7.43 0.72 -4.30 2.91 0.11 -1.97 -3.39 132.00 133.52 1wbl h PRO 79 Ca 0.10 -0.16 -0.72 0.00 0.11 0.00 0.00 66.00 65.34 1wbl h PRO 79 Cb 0.99 -0.10 -0.31 0.00 0.11 0.00 0.00 31.00 31.69 1wbl h PRO 79 CO 0.78 0.69 -0.43 -0.06 -0.21 0.00 0.00 178.00 178.78 1wbl s PHE 80 N -5.40 3.48 0.10 0.65 0.08 -1.26 -4.92 117.98 110.71 1wbl s PHE 80 Ca -0.13 -2.09 0.07 0.00 0.12 0.00 0.00 56.93 54.90 1wbl s PHE 80 Cb 0.11 -3.41 -0.22 0.00 -0.57 0.00 0.00 43.02 38.93 1wbl s PHE 80 CO 0.78 -0.98 1.20 -1.00 -0.10 0.00 0.00 175.22 175.12 1wbl h PRO 81 N 8.24 0.02 -0.16 0.24 0.13 -1.91 -3.41 132.00 135.14 1wbl h PRO 81 Ca -0.17 -0.03 0.02 0.00 -0.87 0.00 0.00 66.00 64.94 1wbl h PRO 81 Cb 1.06 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 1wbl h PRO 81 CO 0.80 0.96 -0.12 0.00 -0.23 0.00 0.00 178.00 179.42 1wbl h ARG 82 N 0.01 -0.03 0.00 0.86 2.47 -1.95 -3.34 114.38 112.40 1wbl h ARG 82 Ca -0.05 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 1wbl h ARG 82 Cb 1.81 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 30.14 1wbl h ARG 82 CO 0.13 -0.02 0.00 -2.30 0.56 0.00 0.00 179.97 178.34 1wbl n PRO 83 N -3.38 0.00 -3.15 0.04 -0.02 -1.26 -4.99 135.00 122.23 1wbl n PRO 83 Ca 0.00 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.53 1wbl n PRO 83 Cb 0.06 -0.74 -0.03 0.00 -0.02 0.00 0.00 33.50 32.77 1wbl n PRO 83 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1wbl s HIS 84 N -0.55 -0.02 0.67 6.00 -3.43 -1.25 -5.10 115.29 111.60 1wbl s HIS 84 Ca 0.00 0.03 -0.17 0.00 -0.80 0.00 0.00 55.06 54.12 1wbl s HIS 84 Cb 0.00 0.01 0.00 0.00 -1.43 0.00 0.00 32.58 31.16 1wbl s HIS 84 CO 0.00 -0.01 1.27 -2.14 -2.00 0.00 0.00 174.74 171.86 1wbl s PRO 85 N 2.53 2.43 -0.04 -0.38 0.02 -1.26 -4.12 135.00 134.18 1wbl s PRO 85 Ca -0.06 1.99 -0.30 0.00 0.02 0.00 0.00 61.00 62.65 1wbl s PRO 85 Cb -0.04 -1.84 0.07 0.00 0.02 0.00 0.00 34.50 32.71 1wbl s PRO 85 CO -0.11 -1.67 0.69 0.00 -0.33 0.00 0.00 177.00 175.58 1wbl s ALA 86 N -1.54 -1.76 0.00 -1.55 0.00 -1.26 -3.96 121.76 111.68 1wbl s ALA 86 Ca 0.81 1.27 0.00 0.00 0.00 0.00 0.00 51.96 54.03 1wbl s ALA 86 Cb -0.35 0.04 0.00 0.00 0.00 0.00 0.00 23.12 22.81 1wbl s ALA 86 CO 0.41 -0.40 0.00 -0.25 0.00 0.00 0.00 175.76 175.52 1wbl n ASP 87 N 0.80 4.83 0.00 0.00 9.92 0.11 -3.18 116.55 129.02 1wbl n ASP 87 Ca -0.18 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.08 1wbl n ASP 87 Cb 0.58 0.50 0.00 0.00 -0.64 0.00 0.00 41.12 41.55 1wbl n ASP 87 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wbl n GLY 88 N 2.90 1.00 3.23 0.44 0.00 -1.18 -0.97 105.19 110.62 1wbl n GLY 88 Ca 0.00 -1.94 -0.13 0.00 0.00 0.00 0.00 46.02 43.95 1wbl n GLY 88 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1wbl s LEU 89 N 0.00 2.37 0.02 0.99 0.05 -1.11 -2.21 118.68 118.78 1wbl s LEU 89 Ca 0.00 -1.08 -0.03 0.00 0.05 0.00 0.00 54.13 53.07 1wbl s LEU 89 Cb 0.00 -0.17 -0.01 0.00 -2.05 0.00 0.00 46.19 43.96 1wbl s LEU 89 CO 0.00 -0.46 0.03 0.68 -0.55 0.00 0.00 176.35 176.06 1wbl s VAL 90 N -3.52 0.11 -0.16 1.48 -7.23 -0.01 -0.71 120.40 110.35 1wbl s VAL 90 Ca 0.18 -0.88 -0.08 0.00 -1.81 0.00 0.00 61.98 59.40 1wbl s VAL 90 Cb 0.05 -0.40 -0.04 0.00 0.56 0.00 0.00 36.38 36.55 1wbl s VAL 90 CO 0.01 -0.48 0.10 0.12 -0.31 0.00 0.00 175.10 174.53 1wbl s PHE 91 N -1.59 3.39 0.03 2.82 5.36 0.49 -2.02 117.98 126.46 1wbl s PHE 91 Ca -0.14 0.29 -0.07 0.00 -0.96 0.00 0.00 56.93 56.05 1wbl s PHE 91 Cb -0.08 -2.05 -0.00 0.00 -0.34 0.00 0.00 43.02 40.55 1wbl s PHE 91 CO -0.01 0.38 0.12 -0.59 -1.46 0.00 0.00 175.22 173.66 1wbl s PHE 92 N -0.10 0.13 -0.12 10.12 -0.71 0.02 -0.25 117.98 127.07 1wbl s PHE 92 Ca 0.09 -0.35 0.02 0.00 -1.04 0.00 0.00 56.93 55.64 1wbl s PHE 92 Cb -0.12 -0.10 -0.01 0.00 -1.21 0.00 0.00 43.02 41.59 1wbl s PHE 92 CO 0.01 -0.35 -0.19 0.42 -1.34 0.00 0.00 175.22 173.76 1wbl s ILE 93 N -2.22 2.48 0.22 -4.49 1.01 0.59 -1.96 121.20 116.82 1wbl s ILE 93 Ca -0.08 -0.86 -0.03 0.00 0.00 0.00 0.00 60.65 59.68 1wbl s ILE 93 Cb -0.03 -2.00 -0.03 0.00 0.01 0.00 0.00 42.46 40.41 1wbl s ILE 93 CO -0.03 0.54 0.20 0.00 0.00 0.00 0.00 174.94 175.66 1wbl s ALA 94 N 0.39 0.95 0.72 9.38 0.00 -0.59 -1.77 121.76 130.82 1wbl s ALA 94 Ca -0.15 -1.57 -0.15 0.00 0.00 0.00 0.00 51.96 50.10 1wbl s ALA 94 Cb -0.17 1.33 0.03 0.00 0.00 0.00 0.00 23.12 24.32 1wbl s ALA 94 CO 0.07 -0.64 1.16 -2.14 0.00 0.00 0.00 175.76 174.21 1wbl s PRO 95 N -4.09 2.32 0.67 0.00 0.02 -1.26 -0.71 135.00 131.95 1wbl s PRO 95 Ca 0.36 1.59 -0.14 0.00 0.02 0.00 0.00 61.00 62.83 1wbl s PRO 95 Cb 0.05 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.70 1wbl s PRO 95 CO 0.12 -1.66 1.10 -1.25 -0.33 0.00 0.00 177.00 174.98 1wbl s PRO 96 N -4.06 2.81 -1.17 5.54 0.04 -1.26 -3.99 135.00 132.91 1wbl s PRO 96 Ca 0.71 1.30 -0.02 0.00 0.04 0.00 0.00 61.00 63.02 1wbl s PRO 96 Cb -0.25 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.33 1wbl s PRO 96 CO 0.45 -1.23 0.31 0.09 0.04 0.00 0.00 177.00 176.66 1wbl n ASN 97 N -2.56 -4.76 -4.42 6.66 5.03 -1.26 -5.03 115.26 108.92 1wbl n ASN 97 Ca 0.10 -0.15 -0.26 0.00 0.87 0.00 0.00 54.58 55.14 1wbl n ASN 97 Cb 0.52 -3.70 0.15 0.00 -1.02 0.00 0.00 39.78 35.73 1wbl n ASN 97 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1wbl s THR 98 N -2.92 2.04 0.14 3.41 -4.23 -1.26 -5.11 115.64 107.71 1wbl s THR 98 Ca 0.15 -0.39 0.05 0.00 -1.18 0.00 0.00 61.69 60.33 1wbl s THR 98 Cb -0.07 -2.65 -0.04 0.00 1.34 0.00 0.00 72.50 71.08 1wbl s THR 98 CO 0.19 0.00 -0.12 -1.10 -0.54 0.00 0.00 174.62 173.05 1wbl s GLN 99 N -5.45 1.07 -0.04 3.99 -1.52 -1.26 -5.10 119.66 111.35 1wbl s GLN 99 Ca 0.70 -1.37 -0.35 0.00 -1.95 0.00 0.00 55.36 52.39 1wbl s GLN 99 Cb -0.04 -0.79 -0.13 0.00 -0.22 0.00 0.00 33.01 31.84 1wbl s GLN 99 CO 0.48 0.13 1.77 2.41 -0.25 0.00 0.00 175.29 179.83 1wbl n THR 100 N 0.09 0.39 0.00 -0.19 -1.04 -1.26 -4.96 114.28 107.31 1wbl n THR 100 Ca -0.12 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 1wbl n THR 100 Cb 0.59 -1.68 0.00 0.00 -1.82 0.00 0.00 70.33 67.42 1wbl n THR 100 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1wbl n GLY 101 N 4.07 0.25 3.69 3.41 0.00 0.19 -4.98 105.19 111.83 1wbl n GLY 101 Ca 0.22 -1.37 -0.41 0.00 0.00 0.00 0.00 46.02 44.45 1wbl n GLY 101 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wbl s GLU 102 N 0.00 4.40 0.00 1.61 2.56 0.14 -4.63 118.70 122.77 1wbl s GLU 102 Ca 0.00 1.15 0.00 0.00 0.00 0.00 0.00 54.97 56.12 1wbl s GLU 102 Cb 0.00 -3.52 0.00 0.00 2.00 0.00 0.00 34.13 32.61 1wbl s GLU 102 CO 0.00 -0.20 0.00 0.41 -0.56 0.00 0.00 175.26 174.91 1wbl n GLY 103 N 3.21 -1.87 7.00 -1.50 0.00 -1.26 -0.37 105.19 110.39 1wbl n GLY 103 Ca 0.05 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.76 1wbl n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wbl n GLY 104 N 2.21 2.23 0.00 -0.02 0.00 -1.26 -2.62 105.19 105.73 1wbl n GLY 104 Ca 0.00 -0.49 0.05 0.00 0.00 0.00 0.00 46.02 45.59 1wbl n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wbl n GLY 105 N 0.00 -0.64 0.98 -0.02 0.00 -1.26 -1.70 105.19 102.55 1wbl n GLY 105 Ca 0.00 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.09 1wbl n GLY 105 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1wbl n TYR 106 N -1.28 0.15 -0.50 1.61 4.01 -1.08 -4.96 117.16 115.12 1wbl n TYR 106 Ca 0.05 -0.08 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 1wbl n TYR 106 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 1wbl n TYR 106 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1wbl n PHE 107 N 1.29 0.00 -0.50 -0.72 3.72 -0.69 -1.64 117.46 118.93 1wbl n PHE 107 Ca 0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.56 1wbl n PHE 107 Cb 0.58 -1.41 0.00 0.00 -0.94 0.00 0.00 39.48 37.71 1wbl n PHE 107 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wbl n GLY 108 N -1.04 0.74 0.00 1.37 0.00 0.50 -3.51 105.19 103.25 1wbl n GLY 108 Ca 0.00 -0.07 0.05 0.00 0.00 0.00 0.00 46.02 46.00 1wbl n GLY 108 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1wbl n ILE 109 N -2.50 0.00 -4.96 -0.61 -5.35 -0.65 0.54 119.36 105.83 1wbl n ILE 109 Ca 0.00 -0.24 -0.32 0.00 -0.27 0.00 0.00 62.75 61.92 1wbl n ILE 109 Cb 0.00 0.88 -0.15 0.00 -1.74 0.00 0.00 39.64 38.63 1wbl n ILE 109 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 1wbl s TYR 110 N -2.19 2.67 -0.33 4.28 5.04 -1.23 -4.72 117.35 120.87 1wbl s TYR 110 Ca 0.03 -0.56 0.03 0.00 -2.44 0.00 0.00 57.07 54.12 1wbl s TYR 110 Cb 0.08 -1.72 0.10 0.00 0.35 0.00 0.00 41.96 40.78 1wbl s TYR 110 CO 0.47 -0.12 0.06 0.54 -1.34 0.00 0.00 175.55 175.16 1wbl s ASN 111 N -0.07 4.56 0.65 4.32 6.03 -1.26 0.25 114.94 129.41 1wbl s ASN 111 Ca -0.04 -2.01 0.28 0.00 -1.03 0.00 0.00 52.86 50.07 1wbl s ASN 111 Cb -0.14 -1.41 1.51 0.00 -3.03 0.00 0.00 41.25 38.18 1wbl s ASN 111 CO 0.04 -0.39 1.86 -0.65 -2.03 0.00 0.00 177.10 175.93 1wbl h PRO 112 N 7.75 0.00 -0.01 3.55 0.11 -2.00 -0.97 132.00 140.43 1wbl h PRO 112 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1wbl h PRO 112 Cb 1.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1wbl h PRO 112 CO 0.51 0.00 -0.50 1.47 -0.21 0.00 0.00 178.00 179.27 1wbl n LEU 113 N -3.02 1.81 -2.76 2.35 -0.00 -1.26 -4.62 117.00 109.49 1wbl n LEU 113 Ca 0.00 -0.73 -0.09 0.00 -0.00 0.00 0.00 56.01 55.19 1wbl n LEU 113 Cb 0.47 0.00 0.06 0.00 -0.00 0.00 0.00 43.42 43.95 1wbl n LEU 113 CO 0.15 0.35 0.23 -0.24 -0.00 0.00 0.00 177.39 177.88 1wbl n SER 114 N -0.21 -2.55 -4.74 1.45 2.88 -0.46 -5.14 113.62 104.86 1wbl n SER 114 Ca 0.08 -3.43 -0.42 0.00 -1.33 0.00 0.00 58.87 53.77 1wbl n SER 114 Cb 0.42 1.76 -0.03 0.00 -0.75 0.00 0.00 64.21 65.61 1wbl n SER 114 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 1wbl s PRO 115 N 0.43 4.26 0.15 -1.46 0.02 -0.66 -4.64 135.00 133.10 1wbl s PRO 115 Ca 0.29 2.30 0.10 0.00 0.02 0.00 0.00 61.00 63.71 1wbl s PRO 115 Cb 0.25 -3.13 -0.04 0.00 0.02 0.00 0.00 34.50 31.60 1wbl s PRO 115 CO -0.17 -0.47 -0.20 1.52 -0.33 0.00 0.00 177.00 177.35 1wbl s TYR 116 N 0.38 2.45 0.51 6.54 -0.85 -1.26 -5.05 117.35 120.07 1wbl s TYR 116 Ca 0.62 -0.30 -0.18 0.00 -0.52 0.00 0.00 57.07 56.69 1wbl s TYR 116 Cb -0.42 -1.27 -0.07 0.00 0.38 0.00 0.00 41.96 40.58 1wbl s TYR 116 CO 0.39 0.43 1.01 -1.25 -1.52 0.00 0.00 175.55 174.61 1wbl s PRO 117 N -2.38 3.78 0.17 -3.49 0.04 -1.26 -4.92 135.00 126.94 1wbl s PRO 117 Ca 0.19 1.17 -0.23 0.00 0.04 0.00 0.00 61.00 62.17 1wbl s PRO 117 Cb -0.09 -2.10 0.06 0.00 0.04 0.00 0.00 34.50 32.41 1wbl s PRO 117 CO 0.10 -0.43 0.61 -0.59 0.04 0.00 0.00 177.00 176.74 1wbl s PHE 118 N -2.32 -0.50 -0.10 0.56 -0.12 -1.26 -4.12 117.98 110.11 1wbl s PHE 118 Ca 0.63 0.26 0.01 0.00 -0.05 0.00 0.00 56.93 57.78 1wbl s PHE 118 Cb -0.13 0.58 0.02 0.00 -0.63 0.00 0.00 43.02 42.86 1wbl s PHE 118 CO 0.27 -0.89 -0.10 0.08 -0.05 0.00 0.00 175.22 174.52 1wbl s VAL 119 N -3.77 1.16 0.03 -2.49 1.01 -0.73 -0.52 120.40 115.10 1wbl s VAL 119 Ca 0.02 -0.41 -0.01 0.00 0.00 0.00 0.00 61.98 61.58 1wbl s VAL 119 Cb -0.02 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 1wbl s VAL 119 CO -0.11 0.38 -0.03 0.00 0.00 0.00 0.00 175.10 175.35 1wbl s ALA 120 N 1.34 0.29 -0.18 5.51 0.00 0.20 -0.30 121.76 128.62 1wbl s ALA 120 Ca -0.01 -0.87 -0.00 0.00 0.00 0.00 0.00 51.96 51.07 1wbl s ALA 120 Cb -0.14 0.21 0.01 0.00 0.00 0.00 0.00 23.12 23.20 1wbl s ALA 120 CO -0.05 -0.26 -0.16 0.08 0.00 0.00 0.00 175.76 175.37 1wbl s VAL 121 N -2.63 2.44 0.25 0.00 1.01 0.65 -0.43 120.40 121.70 1wbl s VAL 121 Ca -0.05 -0.82 0.07 0.00 0.00 0.00 0.00 61.98 61.19 1wbl s VAL 121 Cb -0.01 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 1wbl s VAL 121 CO -0.05 0.51 0.17 -1.83 0.00 0.00 0.00 175.10 173.89 1wbl s GLU 122 N 1.26 2.84 -0.49 2.72 -1.05 0.15 -0.38 118.70 123.76 1wbl s GLU 122 Ca 0.03 -1.09 0.03 0.00 -0.15 0.00 0.00 54.97 53.80 1wbl s GLU 122 Cb -0.14 -2.51 0.16 0.00 -0.44 0.00 0.00 34.13 31.20 1wbl s GLU 122 CO -0.09 0.40 0.34 -0.06 0.95 0.00 0.00 175.26 176.81 1wbl s PHE 123 N -2.14 1.89 -0.36 4.83 0.08 0.11 -1.78 117.98 120.61 1wbl s PHE 123 Ca 0.33 -2.54 -0.28 0.00 0.12 0.00 0.00 56.93 54.56 1wbl s PHE 123 Cb -0.08 -1.59 0.02 0.00 -0.57 0.00 0.00 43.02 40.80 1wbl s PHE 123 CO 0.24 -0.75 1.02 0.34 -0.10 0.00 0.00 175.22 175.98 1wbl s ASP 124 N -0.17 6.78 0.05 1.36 -1.08 0.07 -2.77 116.67 120.92 1wbl s ASP 124 Ca 0.26 0.77 0.22 0.00 -0.52 0.00 0.00 52.55 53.28 1wbl s ASP 124 Cb -0.07 -2.51 -0.16 0.00 -1.46 0.00 0.00 42.92 38.72 1wbl s ASP 124 CO -0.13 -0.93 0.77 0.35 0.52 0.00 0.00 175.17 175.76 1wbl n THR 125 N 6.06 0.21 -5.28 1.71 -2.24 -0.14 -1.87 114.28 112.73 1wbl n THR 125 Ca 0.10 -0.43 -0.31 0.00 -2.27 0.00 0.00 64.05 61.13 1wbl n THR 125 Cb 0.48 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.55 1wbl n THR 125 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1wbl s PHE 126 N -3.38 2.40 -0.56 4.78 5.36 -1.20 -4.68 117.98 120.70 1wbl s PHE 126 Ca -0.03 -0.62 -0.24 0.00 -0.96 0.00 0.00 56.93 55.09 1wbl s PHE 126 Cb 0.13 -1.56 0.04 0.00 -0.34 0.00 0.00 43.02 41.29 1wbl s PHE 126 CO 0.85 -0.15 0.96 0.50 -1.46 0.00 0.00 175.22 175.92 1wbl s ARG 127 N -0.33 3.33 0.79 10.12 3.52 -1.26 -5.00 118.95 130.12 1wbl s ARG 127 Ca 0.02 -0.27 -0.05 0.00 -0.13 0.00 0.00 55.73 55.30 1wbl s ARG 127 Cb -0.12 -4.06 0.15 0.00 -1.56 0.00 0.00 34.95 29.36 1wbl s ARG 127 CO 0.02 -1.52 1.09 -0.80 -0.81 0.00 0.00 175.30 173.28 1wbl s ASN 128 N 2.90 3.99 0.18 -2.12 -0.87 -1.26 -4.91 114.94 112.85 1wbl s ASN 128 Ca 0.31 -0.22 -0.14 0.00 -1.57 0.00 0.00 52.86 51.23 1wbl s ASN 128 Cb -0.12 -0.05 0.17 0.00 -0.02 0.00 0.00 41.25 41.23 1wbl s ASN 128 CO 0.19 -2.12 1.69 0.71 -2.57 0.00 0.00 177.10 175.00 1wbl h THR 129 N -0.84 0.64 0.00 1.60 1.35 -2.01 0.03 112.91 113.69 1wbl h THR 129 Ca -0.38 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 1wbl h THR 129 Cb 1.26 0.50 0.00 0.00 -1.73 0.00 0.00 68.15 68.18 1wbl h THR 129 CO 0.39 0.02 0.00 -2.67 -0.25 0.00 0.00 175.52 173.01 1wbl n TRP 130 N -5.21 0.00 -4.08 4.73 2.14 -1.26 -4.88 117.44 108.88 1wbl n TRP 130 Ca 0.05 0.00 -0.28 0.00 2.07 0.00 0.00 57.50 59.33 1wbl n TRP 130 Cb 0.25 -0.02 -0.06 0.00 -0.81 0.00 0.00 31.31 30.67 1wbl n TRP 130 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1wbl s ASP 131 N -0.91 5.44 0.22 -0.67 1.01 -0.00 -4.84 116.67 116.93 1wbl s ASP 131 Ca 0.00 -0.09 0.03 0.00 0.71 0.00 0.00 52.55 53.19 1wbl s ASP 131 Cb 0.00 -1.42 0.03 0.00 1.01 0.00 0.00 42.92 42.54 1wbl s ASP 131 CO 0.00 0.12 0.26 -0.81 0.21 0.00 0.00 175.17 174.96 1wbl n PRO 132 N 0.10 0.81 -1.62 8.23 -0.04 -1.26 -4.84 135.00 136.39 1wbl n PRO 132 Ca -0.09 -0.97 -0.42 0.00 -0.04 0.00 0.00 63.50 61.98 1wbl n PRO 132 Cb 0.53 -0.09 0.00 0.00 -0.04 0.00 0.00 33.50 33.90 1wbl n PRO 132 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1wbl n GLN 133 N -1.42 1.45 -4.37 0.54 -0.06 -1.26 -4.85 117.38 107.42 1wbl n GLN 133 Ca 0.05 0.52 -0.24 0.00 -2.00 0.00 0.00 57.00 55.33 1wbl n GLN 133 Cb 0.19 -2.05 -0.09 0.00 -4.06 0.00 0.00 30.24 24.23 1wbl n GLN 133 CO 0.00 0.00 0.00 0.96 -0.20 0.00 0.00 177.06 177.82 1wbl s ILE 134 N -1.22 3.00 0.73 1.69 -5.25 -1.26 -4.45 121.20 114.44 1wbl s ILE 134 Ca 0.61 -2.07 -0.11 0.00 -0.99 0.00 0.00 60.65 58.10 1wbl s ILE 134 Cb -0.58 -2.57 0.03 0.00 2.95 0.00 0.00 42.46 42.28 1wbl s ILE 134 CO 0.58 -0.34 1.07 -2.84 -1.79 0.00 0.00 174.94 171.63 1wbl s PRO 135 N -3.45 2.69 -0.08 0.37 0.02 -1.26 -4.98 135.00 128.32 1wbl s PRO 135 Ca 0.29 0.79 -0.30 0.00 0.02 0.00 0.00 61.00 61.81 1wbl s PRO 135 Cb -0.06 -1.97 0.07 0.00 0.02 0.00 0.00 34.50 32.55 1wbl s PRO 135 CO 0.17 -1.23 0.67 -3.38 -0.33 0.00 0.00 177.00 172.90 1wbl s HIS 136 N -3.12 -0.66 0.02 6.54 -3.43 -0.78 -2.02 115.29 111.84 1wbl s HIS 136 Ca 0.59 1.22 -0.18 0.00 -0.80 0.00 0.00 55.06 55.88 1wbl s HIS 136 Cb -0.14 0.38 -0.06 0.00 -1.43 0.00 0.00 32.58 31.34 1wbl s HIS 136 CO 0.54 -0.57 0.53 0.42 -2.00 0.00 0.00 174.74 173.66 1wbl s ILE 137 N -0.97 4.89 -0.03 -5.38 1.01 0.24 -0.75 121.20 120.21 1wbl s ILE 137 Ca -0.09 1.11 -0.05 0.00 0.00 0.00 0.00 60.65 61.61 1wbl s ILE 137 Cb -0.01 -3.86 0.01 0.00 0.01 0.00 0.00 42.46 38.61 1wbl s ILE 137 CO 0.09 0.51 0.13 -0.83 0.00 0.00 0.00 174.94 174.83 1wbl s GLY 138 N -0.71 -0.05 -0.32 6.18 0.00 -0.73 -0.79 107.32 110.90 1wbl s GLY 138 Ca 0.28 0.20 -0.16 0.00 0.00 0.00 0.00 44.72 45.04 1wbl s GLY 138 CO 0.16 0.12 0.40 -0.42 0.00 0.00 0.00 173.10 173.36 1wbl s ILE 139 N -0.43 5.14 -0.14 0.90 1.01 -0.20 -0.67 121.20 126.80 1wbl s ILE 139 Ca -0.05 0.27 -0.03 0.00 0.00 0.00 0.00 60.65 60.84 1wbl s ILE 139 Cb -0.03 -3.82 -0.03 0.00 0.01 0.00 0.00 42.46 38.60 1wbl s ILE 139 CO 0.01 -0.04 -0.06 -1.81 0.00 0.00 0.00 174.94 173.03 1wbl s ASP 140 N 1.71 4.63 -0.25 3.58 1.01 0.43 -0.89 116.67 126.90 1wbl s ASP 140 Ca 0.14 -0.15 0.01 0.00 0.71 0.00 0.00 52.55 53.26 1wbl s ASP 140 Cb -0.16 -1.69 0.07 0.00 1.01 0.00 0.00 42.92 42.15 1wbl s ASP 140 CO 0.11 0.19 -0.02 -0.69 0.21 0.00 0.00 175.17 174.98 1wbl s VAL 141 N 0.23 1.48 0.00 -1.27 1.01 -1.26 -0.63 120.40 119.96 1wbl s VAL 141 Ca -0.04 -1.34 0.00 0.00 0.00 0.00 0.00 61.98 60.60 1wbl s VAL 141 Cb -0.14 -1.85 0.00 0.00 0.00 0.00 0.00 36.38 34.39 1wbl s VAL 141 CO 0.03 -0.24 0.00 0.59 0.00 0.00 0.00 175.10 175.48 1wbl n ASN 142 N 4.66 -2.50 -3.92 3.32 3.02 0.33 -4.88 115.26 115.29 1wbl n ASN 142 Ca -0.09 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.37 1wbl n ASN 142 Cb 0.44 -2.77 -0.06 0.00 -0.61 0.00 0.00 39.78 36.77 1wbl n ASN 142 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1wbl s SER 143 N -2.03 -0.04 0.00 6.41 0.15 -1.26 -4.85 113.70 112.08 1wbl s SER 143 Ca 0.00 -0.79 0.24 0.00 0.70 0.00 0.00 55.95 56.09 1wbl s SER 143 Cb 0.00 0.48 0.26 0.00 -1.71 0.00 0.00 66.02 65.05 1wbl s SER 143 CO 0.00 -0.95 1.25 0.52 1.20 0.00 0.00 173.24 175.25 1wbl n VAL 144 N -0.26 0.00 -3.10 4.45 0.31 -1.26 -4.67 118.33 113.80 1wbl n VAL 144 Ca -0.07 -0.14 -0.45 0.00 -0.01 0.00 0.00 64.34 63.67 1wbl n VAL 144 Cb 0.63 0.82 -0.04 0.00 -0.91 0.00 0.00 33.84 34.33 1wbl n VAL 144 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 1wbl s ILE 145 N -2.64 4.83 0.50 2.52 2.07 -1.26 -5.00 121.20 122.23 1wbl s ILE 145 Ca 0.18 -1.09 -0.20 0.00 -1.41 0.00 0.00 60.65 58.13 1wbl s ILE 145 Cb 0.18 -4.52 -0.11 0.00 0.13 0.00 0.00 42.46 38.14 1wbl s ILE 145 CO 0.62 -1.16 0.45 -1.20 -1.91 0.00 0.00 174.94 171.73 1wbl n SER 146 N 6.28 -1.33 0.03 4.50 7.64 -1.26 -4.80 113.62 124.68 1wbl n SER 146 Ca -0.06 0.79 -0.16 0.00 1.01 0.00 0.00 58.87 60.45 1wbl n SER 146 Cb 0.43 -1.11 -0.14 0.00 -1.01 0.00 0.00 64.21 62.39 1wbl n SER 146 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1wbl h THR 147 N 0.43 0.95 -3.81 0.44 1.35 -1.41 -3.46 112.91 107.40 1wbl h THR 147 Ca -0.43 -2.66 -0.24 0.00 -0.55 0.00 0.00 66.41 62.54 1wbl h THR 147 Cb 1.41 2.62 -0.27 0.00 -1.73 0.00 0.00 68.15 70.18 1wbl h THR 147 CO 0.48 0.77 -0.72 -0.75 -0.25 0.00 0.00 175.52 175.05 1wbl s LYS 148 N -2.60 0.15 -0.04 4.72 2.47 -1.25 -5.01 119.74 118.18 1wbl s LYS 148 Ca -0.12 -0.17 -0.05 0.00 -1.56 0.00 0.00 55.97 54.07 1wbl s LYS 148 Cb 0.07 -0.07 0.01 0.00 -1.46 0.00 0.00 37.83 36.39 1wbl s LYS 148 CO 0.82 0.01 0.14 0.99 0.16 0.00 0.00 175.35 177.47 1wbl s THR 149 N -0.34 0.02 -0.04 3.43 2.01 -1.26 -1.03 115.64 118.43 1wbl s THR 149 Ca -0.03 -0.16 -0.00 0.00 0.31 0.00 0.00 61.69 61.81 1wbl s THR 149 Cb -0.03 -0.25 0.03 0.00 0.01 0.00 0.00 72.50 72.26 1wbl s THR 149 CO -0.00 -0.09 0.01 0.54 -0.69 0.00 0.00 174.62 174.39 1wbl s VAL 150 N -0.25 0.17 0.43 3.82 0.11 0.03 -4.98 120.40 119.72 1wbl s VAL 150 Ca -0.03 0.16 -0.24 0.00 -2.93 0.00 0.00 61.98 58.94 1wbl s VAL 150 Cb -0.03 -0.31 -0.08 0.00 -1.53 0.00 0.00 36.38 34.44 1wbl s VAL 150 CO 0.00 0.18 1.15 -2.16 -3.33 0.00 0.00 175.10 170.94 1wbl s PRO 151 N 1.47 3.92 -0.02 1.54 0.04 -1.26 -0.59 135.00 140.10 1wbl s PRO 151 Ca -0.03 1.76 -0.14 0.00 0.04 0.00 0.00 61.00 62.63 1wbl s PRO 151 Cb -0.13 -2.52 0.02 0.00 0.04 0.00 0.00 34.50 31.91 1wbl s PRO 151 CO -0.03 -0.41 0.30 -0.59 0.04 0.00 0.00 177.00 176.31 1wbl s PHE 152 N -1.51 -0.18 -0.17 0.56 -0.12 -0.86 -4.89 117.98 110.81 1wbl s PHE 152 Ca 0.60 0.30 -0.15 0.00 -0.05 0.00 0.00 56.93 57.63 1wbl s PHE 152 Cb -0.28 0.09 -0.04 0.00 -0.63 0.00 0.00 43.02 42.15 1wbl s PHE 152 CO 0.35 -0.36 0.37 0.99 -0.05 0.00 0.00 175.22 176.52 1wbl s THR 153 N -1.19 5.24 0.49 -4.49 2.01 -1.26 -4.01 115.64 112.42 1wbl s THR 153 Ca -0.12 0.69 -0.19 0.00 0.31 0.00 0.00 61.69 62.37 1wbl s THR 153 Cb -0.05 -3.71 -0.09 0.00 0.01 0.00 0.00 72.50 68.67 1wbl s THR 153 CO 0.04 0.31 1.00 -0.22 -0.69 0.00 0.00 174.62 175.06 1wbl s LEU 154 N 0.89 3.78 -0.81 4.42 2.96 -1.26 -4.99 118.68 123.67 1wbl s LEU 154 Ca 0.19 1.76 -0.10 0.00 -0.22 0.00 0.00 54.13 55.77 1wbl s LEU 154 Cb -0.14 -4.54 0.21 0.00 0.50 0.00 0.00 46.19 42.22 1wbl s LEU 154 CO 0.07 -0.65 0.72 -0.62 -1.32 0.00 0.00 176.35 174.54 1wbl s ASP 155 N -2.38 6.36 -0.34 3.68 2.15 -1.26 -5.02 116.67 119.86 1wbl s ASP 155 Ca 0.63 -2.91 -0.37 0.00 0.43 0.00 0.00 52.55 50.34 1wbl s ASP 155 Cb -0.13 -2.09 -0.13 0.00 -0.30 0.00 0.00 42.92 40.28 1wbl s ASP 155 CO 0.22 -0.46 2.11 -3.20 -0.17 0.00 0.00 175.17 173.67 1wbl n ASN 156 N 3.59 2.13 0.00 -0.34 2.85 -1.26 0.31 115.26 122.54 1wbl n ASN 156 Ca 0.14 0.55 0.00 0.00 -0.11 0.00 0.00 54.58 55.16 1wbl n ASN 156 Cb 0.43 -1.22 0.00 0.00 1.24 0.00 0.00 39.78 40.23 1wbl n ASN 156 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1wbl n GLY 157 N 6.20 2.83 3.81 8.20 0.00 0.22 -4.90 105.19 121.55 1wbl n GLY 157 Ca 0.39 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.12 1wbl n GLY 157 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wbl s GLY 158 N -1.62 1.68 -0.03 -0.02 0.00 0.15 -4.77 107.32 102.70 1wbl s GLY 158 Ca 0.00 -0.97 -0.05 0.00 0.00 0.00 0.00 44.72 43.70 1wbl s GLY 158 CO 0.00 -0.23 0.20 -0.42 0.00 0.00 0.00 173.10 172.65 1wbl s ILE 159 N -3.52 5.41 0.02 0.90 1.01 -1.26 -4.01 121.20 119.75 1wbl s ILE 159 Ca 0.70 0.02 0.06 0.00 0.00 0.00 0.00 60.65 61.43 1wbl s ILE 159 Cb -0.08 -3.52 -0.02 0.00 0.01 0.00 0.00 42.46 38.85 1wbl s ILE 159 CO 0.54 0.40 -0.18 0.00 0.00 0.00 0.00 174.94 175.70 1wbl s ALA 160 N -1.25 1.50 -0.16 9.38 0.00 -0.21 -4.29 121.76 126.73 1wbl s ALA 160 Ca 0.25 -0.87 -0.01 0.00 0.00 0.00 0.00 51.96 51.32 1wbl s ALA 160 Cb -0.13 -0.32 -0.01 0.00 0.00 0.00 0.00 23.12 22.66 1wbl s ALA 160 CO 0.15 0.34 -0.12 -0.80 0.00 0.00 0.00 175.76 175.33 1wbl s ASN 161 N -0.82 3.93 0.03 0.00 0.01 -0.22 -1.71 114.94 116.16 1wbl s ASN 161 Ca 0.06 -0.40 0.08 0.00 -0.71 0.00 0.00 52.86 51.89 1wbl s ASN 161 Cb -0.08 -1.62 -0.03 0.00 0.41 0.00 0.00 41.25 39.93 1wbl s ASN 161 CO 0.01 0.09 -0.23 -0.69 -1.51 0.00 0.00 177.10 174.77 1wbl s VAL 162 N 0.82 2.41 -0.11 1.60 1.01 -0.28 -0.78 120.40 125.06 1wbl s VAL 162 Ca -0.04 -1.25 -0.01 0.00 0.00 0.00 0.00 61.98 60.68 1wbl s VAL 162 Cb -0.15 -1.96 0.03 0.00 0.00 0.00 0.00 36.38 34.30 1wbl s VAL 162 CO 0.01 0.39 -0.05 -0.69 0.00 0.00 0.00 175.10 174.76 1wbl s VAL 163 N -0.82 0.86 -0.14 2.92 1.01 -0.25 -2.44 120.40 121.54 1wbl s VAL 163 Ca 0.12 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.86 1wbl s VAL 163 Cb -0.10 -0.96 -0.01 0.00 0.00 0.00 0.00 36.38 35.31 1wbl s VAL 163 CO 0.03 0.28 -0.15 -0.63 0.00 0.00 0.00 175.10 174.63 1wbl s ILE 164 N 1.77 2.81 -0.02 2.22 1.01 0.32 -0.73 121.20 128.59 1wbl s ILE 164 Ca 0.04 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 59.96 1wbl s ILE 164 Cb -0.13 -2.17 0.02 0.00 0.01 0.00 0.00 42.46 40.18 1wbl s ILE 164 CO -0.07 0.52 0.01 -0.75 0.00 0.00 0.00 174.94 174.65 1wbl s LYS 165 N 0.51 0.10 -0.12 2.79 2.20 -0.10 -1.05 119.74 124.07 1wbl s LYS 165 Ca -0.10 0.08 0.00 0.00 -0.36 0.00 0.00 55.97 55.59 1wbl s LYS 165 Cb -0.16 -0.26 0.02 0.00 -1.51 0.00 0.00 37.83 35.92 1wbl s LYS 165 CO 0.04 -0.09 -0.12 -0.47 -0.36 0.00 0.00 175.35 174.35 1wbl s TYR 166 N 0.69 1.83 -0.29 4.03 5.04 -0.40 -0.34 117.35 127.93 1wbl s TYR 166 Ca -0.06 -0.96 -0.11 0.00 -2.44 0.00 0.00 57.07 53.50 1wbl s TYR 166 Cb -0.09 -1.40 -0.04 0.00 0.35 0.00 0.00 41.96 40.78 1wbl s TYR 166 CO -0.02 -0.56 0.19 -0.51 -1.34 0.00 0.00 175.55 173.31 1wbl s ASP 167 N 1.46 5.93 0.29 4.32 1.01 -0.51 -2.14 116.67 127.03 1wbl s ASP 167 Ca 0.02 -0.12 -0.01 0.00 0.71 0.00 0.00 52.55 53.16 1wbl s ASP 167 Cb -0.13 -2.10 0.43 0.00 1.01 0.00 0.00 42.92 42.13 1wbl s ASP 167 CO -0.08 -0.08 1.89 0.00 0.21 0.00 0.00 175.17 177.10 1wbl h ALA 168 N 8.38 1.30 -0.56 5.23 0.00 -1.88 0.61 119.26 132.34 1wbl h ALA 168 Ca -0.35 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 1wbl h ALA 168 Cb 1.18 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1wbl h ALA 168 CO 0.57 0.53 0.29 0.66 0.00 0.00 0.00 179.25 181.30 1wbl h SER 169 N 0.90 0.72 0.31 0.00 4.64 -1.94 -3.08 113.55 115.10 1wbl h SER 169 Ca 0.22 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1wbl h SER 169 Cb 0.13 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1wbl h SER 169 CO -0.02 0.62 -1.33 0.35 -0.87 0.00 0.00 176.83 175.58 1wbl n THR 170 N -4.58 0.15 -1.41 2.95 -2.24 -1.11 -4.95 114.28 103.09 1wbl n THR 170 Ca 0.03 -0.33 -0.12 0.00 -2.27 0.00 0.00 64.05 61.37 1wbl n THR 170 Cb 0.10 0.18 -0.05 0.00 -2.10 0.00 0.00 70.33 68.47 1wbl n THR 170 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1wbl n LYS 171 N -2.08 -0.81 -3.10 -0.78 5.02 0.21 -4.91 118.16 111.71 1wbl n LYS 171 Ca 0.00 0.88 -0.39 0.00 -2.02 0.00 0.00 58.31 56.78 1wbl n LYS 171 Cb 0.48 -4.88 -0.05 0.00 -0.02 0.00 0.00 35.03 30.56 1wbl n LYS 171 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1wbl s ILE 172 N -2.44 4.98 -0.31 -0.18 1.01 -1.10 -0.23 121.20 122.94 1wbl s ILE 172 Ca 0.00 1.38 -0.03 0.00 0.00 0.00 0.00 60.65 62.00 1wbl s ILE 172 Cb 0.00 -4.01 0.04 0.00 0.01 0.00 0.00 42.46 38.51 1wbl s ILE 172 CO 0.00 0.31 0.04 -0.22 0.00 0.00 0.00 174.94 175.07 1wbl s LEU 173 N 0.44 4.01 -0.11 2.97 2.96 0.27 -1.43 118.68 127.80 1wbl s LEU 173 Ca 0.35 -1.20 0.03 0.00 -0.22 0.00 0.00 54.13 53.09 1wbl s LEU 173 Cb -0.18 -1.77 -0.01 0.00 0.50 0.00 0.00 46.19 44.74 1wbl s LEU 173 CO 0.18 -0.28 -0.20 -1.38 -1.32 0.00 0.00 176.35 173.35 1wbl s HIS 174 N 1.31 2.64 0.04 5.38 -3.43 0.54 -0.68 115.29 121.10 1wbl s HIS 174 Ca -0.04 -0.87 0.08 0.00 -0.80 0.00 0.00 55.06 53.43 1wbl s HIS 174 Cb -0.19 -1.75 -0.03 0.00 -1.43 0.00 0.00 32.58 29.18 1wbl s HIS 174 CO 0.00 -0.32 -0.23 0.14 -2.00 0.00 0.00 174.74 172.33 1wbl s VAL 175 N 0.29 1.86 -0.03 -5.38 -7.23 0.58 -0.92 120.40 109.57 1wbl s VAL 175 Ca -0.15 -1.27 0.04 0.00 -1.81 0.00 0.00 61.98 58.79 1wbl s VAL 175 Cb -0.17 -1.60 -0.00 0.00 0.56 0.00 0.00 36.38 35.17 1wbl s VAL 175 CO 0.07 0.28 -0.15 -0.69 -0.31 0.00 0.00 175.10 174.30 1wbl s VAL 176 N -0.79 1.24 -0.11 1.32 1.01 0.09 -1.82 120.40 121.34 1wbl s VAL 176 Ca 0.09 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.46 1wbl s VAL 176 Cb -0.09 -1.07 0.02 0.00 0.00 0.00 0.00 36.38 35.24 1wbl s VAL 176 CO 0.02 0.36 -0.13 -0.22 0.00 0.00 0.00 175.10 175.13 1wbl s LEU 177 N -0.03 1.60 -0.06 3.92 2.96 -0.33 -1.09 118.68 125.65 1wbl s LEU 177 Ca -0.01 -0.38 0.03 0.00 -0.22 0.00 0.00 54.13 53.54 1wbl s LEU 177 Cb -0.10 -1.00 0.01 0.00 0.50 0.00 0.00 46.19 45.60 1wbl s LEU 177 CO 0.01 -0.02 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.21 1wbl s VAL 178 N 1.12 1.16 -0.56 1.68 1.01 0.04 -0.72 120.40 124.13 1wbl s VAL 178 Ca -0.05 -0.51 -0.08 0.00 0.00 0.00 0.00 61.98 61.34 1wbl s VAL 178 Cb -0.14 -1.04 0.14 0.00 0.00 0.00 0.00 36.38 35.34 1wbl s VAL 178 CO -0.03 0.36 0.43 -0.36 0.00 0.00 0.00 175.10 175.49 1wbl s PHE 179 N 0.51 3.48 0.14 5.22 0.08 -0.48 -1.06 117.98 125.86 1wbl s PHE 179 Ca -0.12 -2.11 -0.31 0.00 0.12 0.00 0.00 56.93 54.52 1wbl s PHE 179 Cb -0.14 -3.47 -0.07 0.00 -0.57 0.00 0.00 43.02 38.77 1wbl s PHE 179 CO 0.03 -0.96 1.56 -1.00 -0.10 0.00 0.00 175.22 174.76 1wbl h PRO 180 N 8.01 -0.42 -0.96 0.24 0.13 -1.84 0.69 132.00 137.84 1wbl h PRO 180 Ca -0.11 0.03 0.12 0.00 -0.87 0.00 0.00 66.00 65.17 1wbl h PRO 180 Cb 1.04 0.10 -0.08 0.00 0.13 0.00 0.00 31.00 32.19 1wbl h PRO 180 CO 0.81 -0.28 0.61 0.77 -0.23 0.00 0.00 178.00 179.67 1wbl h SER 181 N -0.44 0.84 0.86 1.44 0.02 -1.95 -1.28 113.55 113.05 1wbl h SER 181 Ca 0.09 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1wbl h SER 181 Cb 0.62 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.03 1wbl h SER 181 CO -0.52 0.45 -0.46 0.18 -1.14 0.00 0.00 176.83 175.34 1wbl n LEU 182 N -4.59 0.60 -2.00 5.07 4.77 -0.87 -4.95 117.00 115.02 1wbl n LEU 182 Ca 0.18 0.24 -0.18 0.00 -0.03 0.00 0.00 56.01 56.23 1wbl n LEU 182 Cb 0.37 -0.25 -0.01 0.00 -2.33 0.00 0.00 43.42 41.21 1wbl n LEU 182 CO 0.28 -0.02 -0.23 0.61 -1.33 0.00 0.00 177.39 176.71 1wbl n GLY 183 N 1.39 -0.31 3.87 -0.72 0.00 0.23 -4.99 105.19 104.66 1wbl n GLY 183 Ca 0.04 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 1wbl n GLY 183 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wbl s THR 184 N -2.88 5.13 -0.03 2.61 -4.23 -0.99 -4.95 115.64 110.31 1wbl s THR 184 Ca 0.00 -0.49 0.00 0.00 -1.18 0.00 0.00 61.69 60.03 1wbl s THR 184 Cb 0.00 -3.49 0.03 0.00 1.34 0.00 0.00 72.50 70.38 1wbl s THR 184 CO 0.00 0.15 0.01 -0.63 -0.54 0.00 0.00 174.62 173.61 1wbl s ILE 185 N -1.46 0.13 -0.05 2.99 1.01 -1.26 -1.39 121.20 121.18 1wbl s ILE 185 Ca 0.33 0.11 0.03 0.00 0.00 0.00 0.00 60.65 61.11 1wbl s ILE 185 Cb -0.13 -0.23 0.01 0.00 0.01 0.00 0.00 42.46 42.12 1wbl s ILE 185 CO 0.25 0.13 -0.12 -0.31 0.00 0.00 0.00 174.94 174.89 1wbl s TYR 186 N 0.99 1.34 -0.02 3.97 1.51 0.10 -5.00 117.35 120.25 1wbl s TYR 186 Ca -0.10 -0.42 0.05 0.00 -1.01 0.00 0.00 57.07 55.59 1wbl s TYR 186 Cb -0.13 -0.96 -0.01 0.00 -0.11 0.00 0.00 41.96 40.75 1wbl s TYR 186 CO -0.02 -0.19 -0.17 -0.08 -1.11 0.00 0.00 175.55 173.98 1wbl s THR 187 N 0.39 1.36 -0.06 -0.71 -1.32 -1.26 -1.18 115.64 112.85 1wbl s THR 187 Ca -0.09 -0.71 -0.07 0.00 -1.21 0.00 0.00 61.69 59.61 1wbl s THR 187 Cb -0.13 -1.15 0.02 0.00 -1.51 0.00 0.00 72.50 69.73 1wbl s THR 187 CO 0.02 0.39 0.18 -0.51 -2.21 0.00 0.00 174.62 172.49 1wbl s ILE 188 N -0.23 0.01 0.12 5.08 2.07 -0.75 -5.00 121.20 122.49 1wbl s ILE 188 Ca 0.03 -0.12 -0.08 0.00 -1.41 0.00 0.00 60.65 59.07 1wbl s ILE 188 Cb -0.08 -0.30 -0.01 0.00 0.13 0.00 0.00 42.46 42.19 1wbl s ILE 188 CO 0.00 -0.07 0.20 0.00 -1.91 0.00 0.00 174.94 173.16 1wbl s ALA 189 N -0.16 0.01 -0.21 1.50 0.00 -1.26 -0.30 121.76 121.33 1wbl s ALA 189 Ca -0.03 -0.84 -0.28 0.00 0.00 0.00 0.00 51.96 50.82 1wbl s ALA 189 Cb -0.02 0.64 0.14 0.00 0.00 0.00 0.00 23.12 23.87 1wbl s ALA 189 CO 0.01 -0.55 1.07 0.34 0.00 0.00 0.00 175.76 176.62 1wbl s ASP 190 N -2.92 -0.34 -0.34 0.00 2.15 0.14 -4.97 116.67 110.39 1wbl s ASP 190 Ca 0.11 0.49 -0.29 0.00 0.43 0.00 0.00 52.55 53.29 1wbl s ASP 190 Cb 0.05 0.43 0.02 0.00 -0.30 0.00 0.00 42.92 43.11 1wbl s ASP 190 CO -0.06 -0.24 1.14 -0.63 -0.17 0.00 0.00 175.17 175.21 1wbl s ILE 191 N -0.64 4.38 -0.06 4.11 1.01 -1.26 -0.56 121.20 128.18 1wbl s ILE 191 Ca 0.01 1.57 0.01 0.00 0.00 0.00 0.00 60.65 62.24 1wbl s ILE 191 Cb -0.02 -4.38 0.02 0.00 0.01 0.00 0.00 42.46 38.08 1wbl s ILE 191 CO -0.03 -0.55 -0.08 -0.69 0.00 0.00 0.00 174.94 173.59 1wbl s VAL 192 N 3.93 0.87 -0.66 2.92 1.01 0.69 -4.98 120.40 124.17 1wbl s VAL 192 Ca 0.48 -0.30 -0.16 0.00 0.00 0.00 0.00 61.98 62.00 1wbl s VAL 192 Cb -0.12 -0.84 0.15 0.00 0.00 0.00 0.00 36.38 35.57 1wbl s VAL 192 CO 0.19 0.30 0.66 -0.62 0.00 0.00 0.00 175.10 175.63 1wbl s ASP 193 N 0.90 6.40 0.24 3.32 -1.08 -1.26 -4.67 116.67 120.51 1wbl s ASP 193 Ca -0.11 -2.03 -0.05 0.00 -0.52 0.00 0.00 52.55 49.84 1wbl s ASP 193 Cb -0.15 -2.24 0.41 0.00 -1.46 0.00 0.00 42.92 39.49 1wbl s ASP 193 CO 0.01 -0.83 1.73 -0.07 0.52 0.00 0.00 175.17 176.54 1wbl h LEU 194 N 8.82 0.27 -1.59 -1.34 3.38 -1.97 -1.39 115.31 121.48 1wbl h LEU 194 Ca -0.14 0.10 0.20 0.00 0.09 0.00 0.00 57.88 58.12 1wbl h LEU 194 Cb 1.07 0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.84 1wbl h LEU 194 CO 0.96 0.12 0.57 0.50 0.09 0.00 0.00 178.44 180.68 1wbl h LYS 195 N 0.44 0.34 0.00 1.13 3.64 -1.91 0.71 116.57 120.92 1wbl h LYS 195 Ca 0.39 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.75 1wbl h LYS 195 Cb 0.56 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1wbl h LYS 195 CO -0.38 0.23 -0.13 0.94 -2.27 0.00 0.00 179.45 177.84 1wbl n GLN 196 N -4.48 0.04 0.00 1.90 -0.06 -0.53 -4.36 117.38 109.89 1wbl n GLN 196 Ca 0.18 0.02 0.00 0.00 -2.00 0.00 0.00 57.00 55.20 1wbl n GLN 196 Cb 0.68 -1.54 0.00 0.00 -4.06 0.00 0.00 30.24 25.33 1wbl n GLN 196 CO 0.00 0.00 0.00 1.33 -0.20 0.00 0.00 177.06 178.19 1wbl n VAL 197 N -1.59 0.00 -4.13 1.69 0.24 -0.33 -5.10 118.33 109.10 1wbl n VAL 197 Ca 0.06 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.14 1wbl n VAL 197 Cb 0.35 -0.71 -0.06 0.00 -1.47 0.00 0.00 33.84 31.96 1wbl n VAL 197 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1wbl s LEU 198 N -3.12 3.42 0.96 1.34 1.43 0.09 -4.75 118.68 118.05 1wbl s LEU 198 Ca 0.00 -0.56 -0.15 0.00 -1.03 0.00 0.00 54.13 52.39 1wbl s LEU 198 Cb 0.00 -1.95 0.22 0.00 0.03 0.00 0.00 46.19 44.49 1wbl s LEU 198 CO 0.00 -0.14 1.31 -2.16 0.23 0.00 0.00 176.35 175.59 1wbl s PRO 199 N -3.81 0.49 0.14 1.29 0.04 -1.26 -4.72 135.00 127.17 1wbl s PRO 199 Ca 0.35 -0.65 -0.16 0.00 0.04 0.00 0.00 61.00 60.58 1wbl s PRO 199 Cb -0.06 -1.89 -0.00 0.00 0.04 0.00 0.00 34.50 32.59 1wbl s PRO 199 CO 0.23 -2.46 1.69 0.93 0.04 0.00 0.00 177.00 177.43 1wbl h GLU 200 N -1.61 0.60 -5.96 4.56 5.08 -1.96 -3.43 114.58 111.85 1wbl h GLU 200 Ca -0.43 -0.10 -0.66 0.00 -1.00 0.00 0.00 59.36 57.17 1wbl h GLU 200 Cb 1.22 -0.10 -0.11 0.00 0.50 0.00 0.00 28.75 30.26 1wbl h GLU 200 CO 0.32 0.55 -0.58 -1.12 -1.00 0.00 0.00 179.01 177.18 1wbl s SER 201 N -5.84 5.64 0.28 1.42 0.01 -1.26 -0.77 113.70 113.19 1wbl s SER 201 Ca -0.13 0.18 0.03 0.00 1.31 0.00 0.00 55.95 57.34 1wbl s SER 201 Cb 0.10 -1.64 -0.03 0.00 0.21 0.00 0.00 66.02 64.67 1wbl s SER 201 CO 0.75 0.31 0.25 0.68 0.41 0.00 0.00 173.24 175.64 1wbl s VAL 202 N -1.11 0.00 0.04 3.43 -7.23 0.29 -4.11 120.40 111.71 1wbl s VAL 202 Ca 0.20 -1.96 0.08 0.00 -1.81 0.00 0.00 61.98 58.49 1wbl s VAL 202 Cb -0.12 -2.50 -0.03 0.00 0.56 0.00 0.00 36.38 34.29 1wbl s VAL 202 CO 0.10 0.00 -0.23 0.20 -0.31 0.00 0.00 175.10 174.86 1wbl s ASN 203 N -3.28 2.80 0.03 4.85 0.02 0.11 -1.09 114.94 118.38 1wbl s ASN 203 Ca 0.39 -0.55 0.08 0.00 -1.02 0.00 0.00 52.86 51.76 1wbl s ASN 203 Cb 0.04 -0.25 -0.02 0.00 0.02 0.00 0.00 41.25 41.03 1wbl s ASN 203 CO 0.21 0.21 -0.22 0.68 0.02 0.00 0.00 177.10 178.01 1wbl s VAL 204 N -0.79 1.77 -0.27 1.60 -7.23 -1.26 -1.54 120.40 112.67 1wbl s VAL 204 Ca 0.10 -1.17 0.00 0.00 -1.81 0.00 0.00 61.98 59.10 1wbl s VAL 204 Cb -0.09 -1.51 0.00 0.00 0.56 0.00 0.00 36.38 35.33 1wbl s VAL 204 CO 0.02 0.31 0.00 0.61 -0.31 0.00 0.00 175.10 175.72 1wbl n GLY 205 N 2.01 -1.03 3.54 2.32 0.00 -0.83 -1.31 105.19 109.90 1wbl n GLY 205 Ca -0.17 -0.76 -0.25 0.00 0.00 0.00 0.00 46.02 44.84 1wbl n GLY 205 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wbl s PHE 206 N -3.00 2.27 -0.14 1.61 0.40 -0.40 -0.80 117.98 117.92 1wbl s PHE 206 Ca 0.00 -0.80 -0.23 0.00 -0.60 0.00 0.00 56.93 55.30 1wbl s PHE 206 Cb 0.00 -1.56 0.06 0.00 0.51 0.00 0.00 43.02 42.03 1wbl s PHE 206 CO 0.00 0.25 0.59 0.45 0.70 0.00 0.00 175.22 177.21 1wbl s SER 207 N -3.61 -0.58 0.04 1.36 0.15 -0.86 -2.18 113.70 108.02 1wbl s SER 207 Ca 0.36 0.92 -0.08 0.00 0.70 0.00 0.00 55.95 57.85 1wbl s SER 207 Cb 0.09 0.90 -0.00 0.00 -1.71 0.00 0.00 66.02 65.30 1wbl s SER 207 CO 0.17 -0.36 0.15 0.00 1.20 0.00 0.00 173.24 174.40 1wbl s ALA 208 N -0.36 -0.22 -0.13 5.45 0.00 -0.52 -0.83 121.76 125.16 1wbl s ALA 208 Ca -0.05 -0.42 -0.13 0.00 0.00 0.00 0.00 51.96 51.36 1wbl s ALA 208 Cb -0.03 0.28 0.03 0.00 0.00 0.00 0.00 23.12 23.40 1wbl s ALA 208 CO 0.04 -0.35 0.36 0.00 0.00 0.00 0.00 175.76 175.80 1wbl s ALA 209 N -2.68 -0.88 0.65 0.00 0.00 -0.94 -1.85 121.76 116.05 1wbl s ALA 209 Ca -0.04 0.96 0.06 0.00 0.00 0.00 0.00 51.96 52.94 1wbl s ALA 209 Cb -0.01 -0.54 0.12 0.00 0.00 0.00 0.00 23.12 22.70 1wbl s ALA 209 CO -0.05 -0.18 0.89 0.25 0.00 0.00 0.00 175.76 176.68 1wbl n THR 210 N 2.76 0.00 -1.66 0.00 -2.24 0.04 0.07 114.28 113.25 1wbl n THR 210 Ca -0.14 -1.81 -0.45 0.00 -2.27 0.00 0.00 64.05 59.38 1wbl n THR 210 Cb 0.57 -0.66 -0.02 0.00 -2.10 0.00 0.00 70.33 68.12 1wbl n THR 210 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wbl n GLY 211 N -2.40 0.52 3.77 3.38 0.00 0.31 -4.03 105.19 106.73 1wbl n GLY 211 Ca 0.17 0.44 -0.39 0.00 0.00 0.00 0.00 46.02 46.23 1wbl n GLY 211 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wbl s ASP 212 N 0.01 7.48 0.40 1.61 2.15 -1.26 0.69 116.67 127.76 1wbl s ASP 212 Ca 0.65 1.82 0.18 0.00 0.43 0.00 0.00 52.55 55.63 1wbl s ASP 212 Cb -0.66 -2.57 1.10 0.00 -0.30 0.00 0.00 42.92 40.49 1wbl s ASP 212 CO 0.54 0.11 1.80 -0.65 -0.17 0.00 0.00 175.17 176.80 1wbl h PRO 213 N 3.92 0.39 -0.99 4.34 0.11 -1.94 -1.59 132.00 136.25 1wbl h PRO 213 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1wbl h PRO 213 Cb 1.20 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1wbl h PRO 213 CO 0.67 0.26 0.00 -1.13 -0.21 0.00 0.00 178.00 177.59 1wbl n SER 214 N -4.58 0.73 0.00 -2.05 3.41 -1.26 -0.74 113.62 109.13 1wbl n SER 214 Ca 0.23 -0.74 0.00 0.00 -0.26 0.00 0.00 58.87 58.11 1wbl n SER 214 Cb 0.82 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.59 1wbl n SER 214 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wbl n GLY 215 N 0.56 0.66 4.60 5.00 0.00 -0.60 -5.01 105.19 110.40 1wbl n GLY 215 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1wbl n GLY 215 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wbl n LYS 216 N -0.28 0.00 -2.24 1.61 5.02 0.08 -4.88 118.16 117.48 1wbl n LYS 216 Ca 0.00 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.91 1wbl n LYS 216 Cb 0.05 -1.20 -0.03 0.00 -0.02 0.00 0.00 35.03 33.82 1wbl n LYS 216 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1wbl s GLN 217 N 0.00 2.87 0.04 1.97 -1.52 -1.26 -4.77 119.66 116.98 1wbl s GLN 217 Ca 0.00 0.05 0.11 0.00 -1.95 0.00 0.00 55.36 53.58 1wbl s GLN 217 Cb 0.00 -4.54 0.49 0.00 -0.22 0.00 0.00 33.01 28.75 1wbl s GLN 217 CO 0.00 -2.62 1.36 -2.13 -0.25 0.00 0.00 175.29 171.64 1wbl n ARG 218 N 9.16 0.03 -0.01 2.91 0.63 -1.26 -1.03 116.66 127.08 1wbl n ARG 218 Ca 0.20 0.36 0.13 0.00 -0.92 0.00 0.00 57.85 57.62 1wbl n ARG 218 Cb 0.50 -1.56 0.34 0.00 0.45 0.00 0.00 32.46 32.20 1wbl n ARG 218 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1wbl n ASN 219 N -1.61 2.16 -4.26 6.15 4.13 -1.26 -4.39 115.26 116.19 1wbl n ASN 219 Ca 0.02 -1.72 -0.41 0.00 1.68 0.00 0.00 54.58 54.15 1wbl n ASN 219 Cb 0.12 -0.02 -0.01 0.00 -1.54 0.00 0.00 39.78 38.33 1wbl n ASN 219 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wbl n ALA 220 N 0.68 3.86 -3.38 5.41 0.00 -0.20 -4.58 120.51 122.31 1wbl n ALA 220 Ca 0.17 -3.70 -0.09 0.00 0.00 0.00 0.00 53.44 49.82 1wbl n ALA 220 Cb 0.46 -3.57 -0.04 0.00 0.00 0.00 0.00 19.45 16.30 1wbl n ALA 220 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1wbl s THR 221 N 4.93 0.02 0.09 0.00 -1.32 -1.25 0.11 115.64 118.22 1wbl s THR 221 Ca 0.54 -0.93 -0.26 0.00 -1.21 0.00 0.00 61.69 59.83 1wbl s THR 221 Cb 0.07 -1.77 0.09 0.00 -1.51 0.00 0.00 72.50 69.38 1wbl s THR 221 CO 0.04 -0.07 1.12 -1.83 -2.21 0.00 0.00 174.62 171.67 1wbl s GLU 222 N -3.91 0.90 0.47 7.08 -1.05 -1.26 -4.39 118.70 116.54 1wbl s GLU 222 Ca 0.12 -0.54 0.01 0.00 -0.15 0.00 0.00 54.97 54.41 1wbl s GLU 222 Cb -0.02 0.28 0.01 0.00 -0.44 0.00 0.00 34.13 33.96 1wbl s GLU 222 CO 0.01 -0.42 0.68 0.95 0.95 0.00 0.00 175.26 177.43 1wbl s THR 223 N -2.52 3.62 -0.43 1.83 -4.23 -0.74 -4.75 115.64 108.41 1wbl s THR 223 Ca 0.18 -0.60 0.06 0.00 -1.18 0.00 0.00 61.69 60.15 1wbl s THR 223 Cb 0.00 -3.33 0.20 0.00 1.34 0.00 0.00 72.50 70.71 1wbl s THR 223 CO 0.01 -0.22 0.50 1.41 -0.54 0.00 0.00 174.62 175.78 1wbl n HIS 224 N -2.10 -1.54 -3.40 3.99 -0.00 -1.26 -4.04 115.22 106.87 1wbl n HIS 224 Ca 0.03 -2.88 -0.35 0.00 -0.00 0.00 0.00 57.72 54.53 1wbl n HIS 224 Cb 0.58 0.45 -0.06 0.00 -0.00 0.00 0.00 29.99 30.97 1wbl n HIS 224 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1wbl s ASP 225 N -0.25 6.77 -0.26 0.41 1.01 0.02 -2.71 116.67 121.66 1wbl s ASP 225 Ca 0.33 1.01 0.01 0.00 0.71 0.00 0.00 52.55 54.61 1wbl s ASP 225 Cb 0.08 -2.26 0.07 0.00 1.01 0.00 0.00 42.92 41.82 1wbl s ASP 225 CO -0.16 0.08 0.00 -0.63 0.21 0.00 0.00 175.17 174.68 1wbl s ILE 226 N -1.51 1.41 0.13 0.77 1.01 0.14 -0.79 121.20 122.36 1wbl s ILE 226 Ca 0.39 -1.36 -0.06 0.00 0.00 0.00 0.00 60.65 59.62 1wbl s ILE 226 Cb -0.14 -1.82 -0.17 0.00 0.01 0.00 0.00 42.46 40.33 1wbl s ILE 226 CO 0.19 -0.30 1.31 -0.07 0.00 0.00 0.00 174.94 176.07 1wbl h LEU 227 N 7.96 0.62 -7.49 2.97 -0.00 -1.01 -2.24 115.31 116.11 1wbl h LEU 227 Ca -0.15 -0.47 -0.02 0.00 -0.00 0.00 0.00 57.88 57.24 1wbl h LEU 227 Cb 1.06 -0.19 -0.11 0.00 -0.00 0.00 0.00 40.66 41.42 1wbl h LEU 227 CO 0.43 1.25 0.05 -0.94 -0.00 0.00 0.00 178.44 179.24 1wbl s SER 228 N -7.09 -0.32 -0.30 -0.43 1.04 -1.23 -4.26 113.70 101.12 1wbl s SER 228 Ca -0.07 -0.36 -0.11 0.00 0.48 0.00 0.00 55.95 55.89 1wbl s SER 228 Cb 0.09 0.57 0.13 0.00 0.10 0.00 0.00 66.02 66.90 1wbl s SER 228 CO 0.87 -1.00 0.69 0.86 0.98 0.00 0.00 173.24 175.64 1wbl s TRP 229 N -3.84 -1.23 0.02 5.02 -0.00 -0.25 -2.46 118.94 116.20 1wbl s TRP 229 Ca 0.06 2.18 0.07 0.00 -0.00 0.00 0.00 56.10 58.41 1wbl s TRP 229 Cb -0.01 0.74 -0.02 0.00 -0.00 0.00 0.00 33.47 34.18 1wbl s TRP 229 CO -0.06 -0.61 -0.20 -1.54 -0.00 0.00 0.00 176.95 174.53 1wbl s SER 230 N 2.65 2.40 -0.00 5.86 1.04 -0.04 0.64 113.70 126.25 1wbl s SER 230 Ca -0.06 -0.44 -0.02 0.00 0.48 0.00 0.00 55.95 55.90 1wbl s SER 230 Cb -0.10 -0.23 -0.00 0.00 0.10 0.00 0.00 66.02 65.78 1wbl s SER 230 CO -0.19 0.20 0.03 0.12 0.98 0.00 0.00 173.24 174.38 1wbl s PHE 231 N -0.64 0.08 -0.20 5.02 5.36 -0.32 -1.47 117.98 125.80 1wbl s PHE 231 Ca 0.07 -0.15 -0.11 0.00 -0.96 0.00 0.00 56.93 55.79 1wbl s PHE 231 Cb -0.08 -0.07 0.07 0.00 -0.34 0.00 0.00 43.02 42.60 1wbl s PHE 231 CO 0.01 -0.13 0.49 0.45 -1.46 0.00 0.00 175.22 174.57 1wbl s SER 232 N -0.74 -0.61 0.04 6.13 0.15 -0.58 -1.09 113.70 117.00 1wbl s SER 232 Ca -0.08 1.08 0.04 0.00 0.70 0.00 0.00 55.95 57.68 1wbl s SER 232 Cb -0.05 1.04 -0.02 0.00 -1.71 0.00 0.00 66.02 65.28 1wbl s SER 232 CO -0.00 -0.21 -0.11 0.00 1.20 0.00 0.00 173.24 174.12 1wbl s ALA 233 N 1.65 0.86 -0.06 5.45 0.00 0.23 -0.66 121.76 129.23 1wbl s ALA 233 Ca -0.09 -0.76 -0.01 0.00 0.00 0.00 0.00 51.96 51.11 1wbl s ALA 233 Cb -0.08 -0.08 0.03 0.00 0.00 0.00 0.00 23.12 22.99 1wbl s ALA 233 CO -0.15 0.11 -0.02 -1.12 0.00 0.00 0.00 175.76 174.59 1wbl s SER 234 N -1.28 1.38 -0.21 0.00 0.01 0.32 -1.34 113.70 112.58 1wbl s SER 234 Ca -0.03 -0.11 -0.03 0.00 1.31 0.00 0.00 55.95 57.09 1wbl s SER 234 Cb -0.08 -0.46 -0.00 0.00 0.21 0.00 0.00 66.02 65.69 1wbl s SER 234 CO 0.01 -0.14 -0.08 -0.22 0.41 0.00 0.00 173.24 173.22 1wbl s LEU 235 N 1.61 2.73 0.09 2.44 0.20 0.40 -1.88 118.68 124.27 1wbl s LEU 235 Ca -0.00 -0.45 -0.20 0.00 0.69 0.00 0.00 54.13 54.17 1wbl s LEU 235 Cb -0.13 -1.68 -0.09 0.00 -0.43 0.00 0.00 46.19 43.86 1wbl s LEU 235 CO -0.04 -0.02 1.64 1.55 -0.29 0.00 0.00 176.35 179.19 1wbl h PRO 236 N 8.08 0.29 -0.02 0.98 0.13 -1.86 1.00 132.00 140.59 1wbl h PRO 236 Ca -0.42 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1wbl h PRO 236 Cb 1.16 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1wbl h PRO 236 CO 0.61 0.35 0.00 0.41 -0.23 0.00 0.00 178.00 179.14