#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 1.35 -0.12 3.15 2.01 -1.26 0.34 115.64 121.10 1wbl s THR 2 Ca 0.00 -0.55 0.02 0.00 0.31 0.00 0.00 61.69 61.47 1wbl s THR 2 Cb 0.00 -1.25 -0.00 0.00 0.01 0.00 0.00 72.50 71.25 1wbl s THR 2 CO 0.00 0.41 -0.19 -0.51 -0.69 0.00 0.00 174.62 173.64 1wbl s ILE 3 N 1.06 2.49 -0.04 1.82 2.07 0.08 -4.96 121.20 123.72 1wbl s ILE 3 Ca -0.06 -0.86 -0.07 0.00 -1.41 0.00 0.00 60.65 58.25 1wbl s ILE 3 Cb -0.15 -2.01 0.01 0.00 0.13 0.00 0.00 42.46 40.45 1wbl s ILE 3 CO -0.02 0.54 0.18 -0.94 -1.91 0.00 0.00 174.94 172.79 1wbl s SER 4 N 0.46 -0.11 0.01 4.50 1.04 -1.26 -0.42 113.70 117.93 1wbl s SER 4 Ca -0.13 0.13 -0.09 0.00 0.48 0.00 0.00 55.95 56.34 1wbl s SER 4 Cb -0.17 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.27 1wbl s SER 4 CO 0.06 -0.21 0.17 0.72 0.98 0.00 0.00 173.24 174.95 1wbl s PHE 5 N -0.58 0.03 -0.01 5.02 -0.12 -0.38 -4.99 117.98 116.95 1wbl s PHE 5 Ca -0.07 -0.15 0.00 0.00 -0.05 0.00 0.00 56.93 56.67 1wbl s PHE 5 Cb -0.04 -0.03 0.02 0.00 -0.63 0.00 0.00 43.02 42.33 1wbl s PHE 5 CO 0.01 -0.34 0.01 1.21 -0.05 0.00 0.00 175.22 176.06 1wbl s ASN 6 N -1.60 0.16 -0.26 1.98 2.47 -1.26 -1.03 114.94 115.41 1wbl s ASN 6 Ca -0.12 0.00 0.01 0.00 0.42 0.00 0.00 52.86 53.18 1wbl s ASN 6 Cb -0.05 -0.08 0.07 0.00 -1.45 0.00 0.00 41.25 39.73 1wbl s ASN 6 CO 0.00 -0.07 -0.04 -0.36 -3.72 0.00 0.00 177.10 172.92 1wbl s PHE 7 N 0.66 2.59 0.11 0.43 0.08 0.26 -4.97 117.98 117.14 1wbl s PHE 7 Ca -0.06 -1.96 -0.09 0.00 0.12 0.00 0.00 56.93 54.94 1wbl s PHE 7 Cb -0.09 -1.78 -0.13 0.00 -0.57 0.00 0.00 43.02 40.45 1wbl s PHE 7 CO -0.02 -0.81 1.29 -0.91 -0.10 0.00 0.00 175.22 174.67 1wbl h ASN 8 N 7.91 0.77 -5.05 1.36 -0.26 -1.89 -1.26 115.58 117.16 1wbl h ASN 8 Ca -0.16 -0.57 -0.04 0.00 -0.56 0.00 0.00 56.30 54.98 1wbl h ASN 8 Cb 1.06 -0.23 -0.12 0.00 -1.06 0.00 0.00 38.32 37.96 1wbl h ASN 8 CO 0.43 1.36 0.03 0.00 -1.06 0.00 0.00 177.43 178.19 1wbl s GLN 9 N -3.49 1.18 -0.22 0.81 0.00 -1.26 -4.41 119.66 112.26 1wbl s GLN 9 Ca -0.08 -0.66 -0.10 0.00 -0.00 0.00 0.00 55.36 54.51 1wbl s GLN 9 Cb 0.08 0.51 -0.05 0.00 0.00 0.00 0.00 33.01 33.56 1wbl s GLN 9 CO 0.89 -0.49 0.15 -0.06 0.00 0.00 0.00 175.29 175.78 1wbl s PHE 10 N -3.80 3.34 0.14 9.60 0.40 -0.06 -5.05 117.98 122.55 1wbl s PHE 10 Ca 0.03 0.25 -0.17 0.00 -0.60 0.00 0.00 56.93 56.44 1wbl s PHE 10 Cb 0.01 -2.23 -0.07 0.00 0.51 0.00 0.00 43.02 41.24 1wbl s PHE 10 CO -0.11 0.14 0.59 -1.01 0.70 0.00 0.00 175.22 175.53 1wbl s HIS 11 N 0.81 3.68 0.21 0.36 3.76 -1.26 -3.98 115.29 118.87 1wbl s HIS 11 Ca 0.07 1.19 -0.32 0.00 -0.15 0.00 0.00 55.06 55.86 1wbl s HIS 11 Cb -0.13 -2.46 -0.12 0.00 1.11 0.00 0.00 32.58 30.99 1wbl s HIS 11 CO 0.02 0.46 1.68 -1.14 -0.85 0.00 0.00 174.74 174.91 1wbl s GLN 12 N -1.69 4.14 -0.79 1.40 0.74 -1.26 -3.07 119.66 119.13 1wbl s GLN 12 Ca 0.36 2.56 -0.01 0.00 0.05 0.00 0.00 55.36 58.32 1wbl s GLN 12 Cb -0.17 -3.08 -0.01 0.00 1.10 0.00 0.00 33.01 30.85 1wbl s GLN 12 CO 0.19 -0.71 0.73 0.09 -0.55 0.00 0.00 175.29 175.05 1wbl n ASN 13 N 3.72 -7.47 -4.78 6.67 4.13 -1.26 -4.99 115.26 111.29 1wbl n ASN 13 Ca 0.14 -0.20 -0.39 0.00 1.68 0.00 0.00 54.58 55.81 1wbl n ASN 13 Cb 0.36 -5.22 -0.06 0.00 -1.54 0.00 0.00 39.78 33.32 1wbl n ASN 13 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 1wbl s GLU 14 N -3.29 4.37 0.46 3.52 2.56 -1.17 -4.96 118.70 120.19 1wbl s GLU 14 Ca 0.10 0.89 0.25 0.00 0.00 0.00 0.00 54.97 56.21 1wbl s GLU 14 Cb -0.01 -3.29 0.97 0.00 2.00 0.00 0.00 34.13 33.79 1wbl s GLU 14 CO 0.73 0.49 1.84 0.93 -0.56 0.00 0.00 175.26 178.70 1wbl h GLU 15 N 4.98 0.00 0.00 4.30 5.08 -1.94 -3.28 114.58 123.73 1wbl h GLU 15 Ca -0.47 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 57.78 1wbl h GLU 15 Cb 1.21 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 1wbl h GLU 15 CO 0.67 0.19 -0.51 1.96 -1.00 0.00 0.00 179.01 180.32 1wbl h GLN 16 N 0.00 0.00 -6.71 2.33 1.08 -1.97 -3.45 115.11 106.38 1wbl h GLN 16 Ca -0.00 0.00 -0.48 0.00 -1.45 0.00 0.00 58.65 56.72 1wbl h GLN 16 Cb 0.72 0.00 0.04 0.00 -0.05 0.00 0.00 27.48 28.19 1wbl h GLN 16 CO 0.02 0.51 -0.07 -0.51 -0.95 0.00 0.00 178.83 177.83 1wbl s LEU 17 N -6.62 3.14 -0.30 1.46 1.43 -1.24 0.56 118.68 117.10 1wbl s LEU 17 Ca 0.03 -0.71 0.02 0.00 -1.03 0.00 0.00 54.13 52.44 1wbl s LEU 17 Cb 0.09 -1.81 0.16 0.00 0.03 0.00 0.00 46.19 44.65 1wbl s LEU 17 CO 0.74 -1.38 0.39 -0.75 0.23 0.00 0.00 176.35 175.57 1wbl s LYS 18 N -4.73 0.43 0.21 1.70 2.47 0.37 -4.51 119.74 115.67 1wbl s LYS 18 Ca 0.62 -0.03 -0.24 0.00 -1.56 0.00 0.00 55.97 54.76 1wbl s LYS 18 Cb -0.06 -0.40 -0.08 0.00 -1.46 0.00 0.00 37.83 35.83 1wbl s LYS 18 CO 0.39 -1.05 0.79 -0.51 0.16 0.00 0.00 175.35 175.13 1wbl s LEU 19 N 2.39 4.49 0.02 5.43 1.02 -1.26 -0.61 118.68 130.17 1wbl s LEU 19 Ca 0.10 1.62 0.04 0.00 0.02 0.00 0.00 54.13 55.92 1wbl s LEU 19 Cb -0.13 -3.49 -0.02 0.00 0.02 0.00 0.00 46.19 42.58 1wbl s LEU 19 CO -0.28 0.12 -0.13 -1.10 0.02 0.00 0.00 176.35 174.99 1wbl s GLN 20 N -1.50 0.88 5.73 1.70 -0.21 0.18 -4.97 119.66 121.47 1wbl s GLN 20 Ca 0.40 -0.64 0.00 0.00 0.02 0.00 0.00 55.36 55.14 1wbl s GLN 20 Cb -0.21 -0.86 0.00 0.00 1.00 0.00 0.00 33.01 32.94 1wbl s GLN 20 CO 0.25 0.22 0.00 0.54 -2.12 0.00 0.00 175.29 174.17 1wbl n ARG 21 N 2.14 0.00 0.00 2.91 5.12 -1.26 -0.94 116.66 124.63 1wbl n ARG 21 Ca -0.17 0.00 0.05 0.00 -1.93 0.00 0.00 57.85 55.80 1wbl n ARG 21 Cb 0.55 0.00 0.25 0.00 -1.16 0.00 0.00 32.46 32.11 1wbl n ARG 21 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1wbl n ASP 22 N 1.68 0.00 -4.75 0.55 9.92 -0.44 -4.82 116.55 118.69 1wbl n ASP 22 Ca 0.00 0.28 -0.41 0.00 -0.53 0.00 0.00 54.79 54.13 1wbl n ASP 22 Cb 0.00 -0.37 -0.02 0.00 -0.64 0.00 0.00 41.12 40.09 1wbl n ASP 22 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wbl s ALA 23 N -2.75 3.75 0.16 2.24 0.00 -1.05 -4.43 121.76 119.68 1wbl s ALA 23 Ca 0.08 1.56 -0.22 0.00 0.00 0.00 0.00 51.96 53.38 1wbl s ALA 23 Cb 0.07 -3.64 0.07 0.00 0.00 0.00 0.00 23.12 19.61 1wbl s ALA 23 CO 0.18 -0.97 0.58 -0.98 0.00 0.00 0.00 175.76 174.57 1wbl s ARG 24 N -0.42 1.26 -0.28 0.00 1.70 0.68 -4.59 118.95 117.30 1wbl s ARG 24 Ca 0.64 -0.49 -0.10 0.00 -0.47 0.00 0.00 55.73 55.30 1wbl s ARG 24 Cb -0.47 0.58 -0.04 0.00 -0.57 0.00 0.00 34.95 34.45 1wbl s ARG 24 CO 0.47 -0.55 0.16 0.42 -1.08 0.00 0.00 175.30 174.73 1wbl s ILE 25 N -3.75 4.99 0.99 4.99 1.01 -1.26 0.18 121.20 128.34 1wbl s ILE 25 Ca 0.01 -0.02 -0.12 0.00 0.00 0.00 0.00 60.65 60.52 1wbl s ILE 25 Cb -0.01 -3.41 0.18 0.00 0.01 0.00 0.00 42.46 39.23 1wbl s ILE 25 CO -0.13 0.22 1.09 -0.94 0.00 0.00 0.00 174.94 175.18 1wbl s SER 26 N 1.71 2.68 0.52 3.58 1.04 -0.48 -4.83 113.70 117.91 1wbl s SER 26 Ca 0.06 1.37 0.30 0.00 0.48 0.00 0.00 55.95 58.16 1wbl s SER 26 Cb -0.16 -2.05 1.33 0.00 0.10 0.00 0.00 66.02 65.24 1wbl s SER 26 CO 0.09 -3.12 1.99 0.77 0.98 0.00 0.00 173.24 173.95 1wbl h SER 27 N -1.88 0.00 -0.94 7.02 4.64 -1.96 -3.04 113.55 117.39 1wbl h SER 27 Ca -0.53 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.21 1wbl h SER 27 Cb 1.31 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 63.12 1wbl h SER 27 CO 0.55 0.11 0.74 -0.46 -0.87 0.00 0.00 176.83 176.90 1wbl n ASN 28 N -3.35 5.98 0.00 4.97 6.94 -1.26 -4.93 115.26 123.61 1wbl n ASN 28 Ca -0.01 -3.62 0.00 0.00 -0.02 0.00 0.00 54.58 50.93 1wbl n ASN 28 Cb 0.31 -0.92 0.00 0.00 -2.36 0.00 0.00 39.78 36.81 1wbl n ASN 28 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1wbl n SER 29 N -0.88 -2.86 -4.78 0.53 7.64 -1.15 -4.99 113.62 107.13 1wbl n SER 29 Ca 0.58 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 60.10 1wbl n SER 29 Cb 1.04 -1.57 -0.08 0.00 -1.01 0.00 0.00 64.21 62.60 1wbl n SER 29 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1wbl s VAL 30 N -1.94 5.06 -0.46 0.44 0.11 -1.26 -0.88 120.40 121.47 1wbl s VAL 30 Ca 0.00 0.05 -0.26 0.00 -2.93 0.00 0.00 61.98 58.84 1wbl s VAL 30 Cb 0.00 -3.21 0.03 0.00 -1.53 0.00 0.00 36.38 31.67 1wbl s VAL 30 CO 0.00 0.58 0.93 -0.22 -3.33 0.00 0.00 175.10 173.06 1wbl s LEU 31 N -0.66 3.99 -0.44 2.54 2.96 -0.87 -1.38 118.68 124.82 1wbl s LEU 31 Ca 0.12 0.15 -0.16 0.00 -0.22 0.00 0.00 54.13 54.02 1wbl s LEU 31 Cb -0.12 -3.21 0.04 0.00 0.50 0.00 0.00 46.19 43.40 1wbl s LEU 31 CO 0.02 -1.05 0.40 -1.61 -1.32 0.00 0.00 176.35 172.79 1wbl s GLU 32 N 3.77 3.02 0.13 1.98 2.02 0.13 -0.47 118.70 129.28 1wbl s GLU 32 Ca 0.38 -1.04 -0.12 0.00 0.02 0.00 0.00 54.97 54.21 1wbl s GLU 32 Cb -0.10 -4.04 -0.07 0.00 0.10 0.00 0.00 34.13 30.02 1wbl s GLU 32 CO 0.26 -0.91 1.43 -0.07 0.02 0.00 0.00 175.26 175.99 1wbl h LEU 33 N 8.89 0.96 -9.97 1.80 3.38 -1.57 0.19 115.31 119.00 1wbl h LEU 33 Ca -0.27 -0.50 -0.52 0.00 0.09 0.00 0.00 57.88 56.68 1wbl h LEU 33 Cb 1.11 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.53 1wbl h LEU 33 CO 0.82 1.27 -0.47 0.42 0.09 0.00 0.00 178.44 180.56 1wbl s THR 34 N -4.26 3.08 0.15 0.22 -4.23 -1.26 -2.52 115.64 106.83 1wbl s THR 34 Ca -0.11 -1.51 -0.30 0.00 -1.18 0.00 0.00 61.69 58.59 1wbl s THR 34 Cb 0.10 -3.06 -0.07 0.00 1.34 0.00 0.00 72.50 70.81 1wbl s THR 34 CO 0.88 -0.13 1.12 -0.75 -0.54 0.00 0.00 174.62 175.20 1wbl s LYS 35 N -3.96 4.56 -0.20 3.99 2.20 -1.26 -4.86 119.74 120.20 1wbl s LYS 35 Ca 0.41 1.73 -0.04 0.00 -0.36 0.00 0.00 55.97 57.70 1wbl s LYS 35 Cb -0.03 -3.29 0.08 0.00 -1.51 0.00 0.00 37.83 33.07 1wbl s LYS 35 CO 0.25 -0.00 0.13 0.54 -0.36 0.00 0.00 175.35 175.91 1wbl s VAL 36 N 0.05 -0.14 -0.27 4.02 0.11 -1.26 -1.07 120.40 121.83 1wbl s VAL 36 Ca 0.51 -0.28 -0.11 0.00 -2.93 0.00 0.00 61.98 59.18 1wbl s VAL 36 Cb -0.29 -0.68 -0.05 0.00 -1.53 0.00 0.00 36.38 33.83 1wbl s VAL 36 CO 0.34 -0.36 0.18 0.68 -3.33 0.00 0.00 175.10 172.61 1wbl s VAL 37 N 2.17 5.27 -1.24 2.04 -7.23 0.31 -4.52 120.40 117.20 1wbl s VAL 37 Ca 0.04 0.15 -0.06 0.00 -1.81 0.00 0.00 61.98 60.31 1wbl s VAL 37 Cb -0.16 -3.50 -0.01 0.00 0.56 0.00 0.00 36.38 33.27 1wbl s VAL 37 CO -0.16 0.27 0.73 0.59 -0.31 0.00 0.00 175.10 176.22 1wbl n ASN 38 N 4.93 -2.72 0.00 4.85 5.03 -1.26 -1.95 115.26 124.14 1wbl n ASN 38 Ca -0.14 -0.87 0.00 0.00 0.87 0.00 0.00 54.58 54.44 1wbl n ASN 38 Cb 0.52 -3.97 0.00 0.00 -1.02 0.00 0.00 39.78 35.31 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 -1.58 1.33 3.34 7.41 0.00 -1.26 -4.99 105.19 109.42 1wbl n GLY 39 Ca -0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.97 2.86 0.26 1.61 1.01 -0.83 -5.09 120.40 117.26 1wbl s VAL 40 Ca 0.00 -0.73 -0.29 0.00 0.00 0.00 0.00 61.98 60.96 1wbl s VAL 40 Cb 0.00 -2.19 -0.09 0.00 0.00 0.00 0.00 36.38 34.10 1wbl s VAL 40 CO 0.00 0.53 0.95 -2.16 0.00 0.00 0.00 175.10 174.42 1wbl s PRO 41 N 0.40 4.77 0.25 2.72 0.04 -1.26 0.12 135.00 142.04 1wbl s PRO 41 Ca -0.12 1.47 0.04 0.00 0.04 0.00 0.00 61.00 62.43 1wbl s PRO 41 Cb -0.16 -3.15 -0.03 0.00 0.04 0.00 0.00 34.50 31.20 1wbl s PRO 41 CO 0.06 0.44 0.39 0.99 0.04 0.00 0.00 177.00 178.91 1wbl s THR 42 N -1.29 5.24 0.32 1.26 2.01 -0.24 -4.81 115.64 118.13 1wbl s THR 42 Ca 0.44 -0.85 -0.01 0.00 0.31 0.00 0.00 61.69 61.57 1wbl s THR 42 Cb -0.24 -3.85 0.07 0.00 0.01 0.00 0.00 72.50 68.48 1wbl s THR 42 CO 0.30 -0.35 0.43 -2.67 -0.69 0.00 0.00 174.62 171.65 1wbl n TRP 43 N -1.39 -3.37 -3.13 4.92 4.27 -1.26 -4.40 117.44 113.08 1wbl n TRP 43 Ca -0.08 -0.67 -0.20 0.00 -3.89 0.00 0.00 57.50 52.67 1wbl n TRP 43 Cb 0.57 -0.32 -0.00 0.00 -1.36 0.00 0.00 31.31 30.19 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 -3.04 -3.60 -4.49 -0.67 5.15 0.20 -4.87 115.26 103.94 1wbl n ASN 44 Ca 0.07 -0.23 -0.31 0.00 -0.60 0.00 0.00 54.58 53.51 1wbl n ASN 44 Cb 0.24 -3.01 -0.12 0.00 -0.53 0.00 0.00 39.78 36.36 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 -2.54 4.03 -0.16 1.20 0.15 -1.26 -4.98 113.70 110.14 1wbl s SER 45 Ca 0.30 -0.34 -0.11 0.00 0.70 0.00 0.00 55.95 56.49 1wbl s SER 45 Cb -0.16 -0.74 0.05 0.00 -1.71 0.00 0.00 66.02 63.46 1wbl s SER 45 CO 0.37 0.27 0.40 -0.89 1.20 0.00 0.00 173.24 174.58 1wbl s THR 46 N -0.94 -0.01 0.02 6.45 2.01 -1.26 -0.67 115.64 121.24 1wbl s THR 46 Ca 0.15 0.05 -0.24 0.00 0.31 0.00 0.00 61.69 61.95 1wbl s THR 46 Cb -0.11 -0.57 0.06 0.00 0.01 0.00 0.00 72.50 71.89 1wbl s THR 46 CO 0.06 0.02 0.56 -0.83 -0.69 0.00 0.00 174.62 173.73 1wbl s GLY 47 N 0.76 -0.46 0.06 4.40 0.00 -1.01 -1.33 107.32 109.73 1wbl s GLY 47 Ca -0.04 0.80 0.00 0.00 0.00 0.00 0.00 44.72 45.47 1wbl s GLY 47 CO -0.05 0.48 -0.04 0.50 0.00 0.00 0.00 173.10 173.99 1wbl s ARG 48 N -2.04 0.61 -0.07 2.90 0.52 -0.12 -2.05 118.95 118.70 1wbl s ARG 48 Ca -0.07 -1.11 -0.03 0.00 -0.52 0.00 0.00 55.73 54.00 1wbl s ARG 48 Cb -0.01 0.06 0.04 0.00 0.52 0.00 0.00 34.95 35.56 1wbl s ARG 48 CO 0.02 -0.07 0.10 0.00 0.02 0.00 0.00 175.30 175.37 1wbl s ALA 49 N -3.25 0.10 -0.00 2.13 0.00 -0.37 0.48 121.76 120.85 1wbl s ALA 49 Ca 0.03 0.27 0.07 0.00 0.00 0.00 0.00 51.96 52.32 1wbl s ALA 49 Cb 0.03 -0.75 -0.03 0.00 0.00 0.00 0.00 23.12 22.37 1wbl s ALA 49 CO -0.06 -0.61 -0.20 -0.51 0.00 0.00 0.00 175.76 174.37 1wbl s LEU 50 N 2.21 2.42 0.08 0.00 2.01 0.22 -1.03 118.68 124.59 1wbl s LEU 50 Ca 0.04 -0.39 -0.31 0.00 0.01 0.00 0.00 54.13 53.48 1wbl s LEU 50 Cb -0.13 -1.45 -0.07 0.00 0.01 0.00 0.00 46.19 44.56 1wbl s LEU 50 CO -0.05 0.30 1.41 -0.47 1.01 0.00 0.00 176.35 178.56 1wbl s TYR 51 N -0.76 3.09 0.52 0.29 5.04 -0.63 -0.48 117.35 124.43 1wbl s TYR 51 Ca 0.12 0.87 0.34 0.00 -2.44 0.00 0.00 57.07 55.96 1wbl s TYR 51 Cb -0.10 -3.70 1.49 0.00 0.35 0.00 0.00 41.96 40.00 1wbl s TYR 51 CO 0.01 -2.52 1.81 0.00 -1.34 0.00 0.00 175.55 173.52 1wbl h ALA 52 N 7.17 2.99 -3.30 3.97 0.00 -0.12 -3.42 119.26 126.54 1wbl h ALA 52 Ca -0.41 -0.03 -0.67 0.00 0.00 0.00 0.00 54.91 53.80 1wbl h ALA 52 Cb 1.20 0.08 -0.14 0.00 0.00 0.00 0.00 17.79 18.93 1wbl h ALA 52 CO 0.88 -1.33 -0.62 0.15 0.00 0.00 0.00 179.25 178.32 1wbl s LYS 53 N -5.02 2.93 0.36 0.00 1.02 -1.26 -5.06 119.74 112.71 1wbl s LYS 53 Ca -0.05 -0.48 -0.26 0.00 0.02 0.00 0.00 55.97 55.20 1wbl s LYS 53 Cb 0.23 -2.77 -0.09 0.00 -0.52 0.00 0.00 37.83 34.69 1wbl s LYS 53 CO 0.80 0.67 1.09 -1.25 -0.92 0.00 0.00 175.35 175.75 1wbl s PRO 54 N -1.19 4.29 -0.06 -1.68 0.04 -1.26 -4.77 135.00 130.36 1wbl s PRO 54 Ca 0.16 1.68 0.02 0.00 0.04 0.00 0.00 61.00 62.90 1wbl s PRO 54 Cb -0.11 -2.78 -0.03 0.00 0.04 0.00 0.00 34.50 31.62 1wbl s PRO 54 CO 0.06 -0.06 -0.11 0.14 0.04 0.00 0.00 177.00 177.07 1wbl s VAL 55 N -1.44 3.34 -0.50 -0.36 -7.23 0.18 -4.90 120.40 109.49 1wbl s VAL 55 Ca 0.53 -0.61 -0.24 0.00 -1.81 0.00 0.00 61.98 59.85 1wbl s VAL 55 Cb -0.27 -2.34 0.03 0.00 0.56 0.00 0.00 36.38 34.36 1wbl s VAL 55 CO 0.34 0.59 0.86 -1.58 -0.31 0.00 0.00 175.10 175.00 1wbl s GLN 56 N -0.68 3.37 0.25 4.82 0.74 -1.26 -0.65 119.66 126.26 1wbl s GLN 56 Ca 0.10 -0.18 0.25 0.00 0.05 0.00 0.00 55.36 55.58 1wbl s GLN 56 Cb -0.11 -4.00 0.56 0.00 1.10 0.00 0.00 33.01 30.56 1wbl s GLN 56 CO 0.01 -1.30 1.61 -0.39 -0.55 0.00 0.00 175.29 174.67 1wbl h VAL 57 N 6.01 0.00 -2.79 1.34 -1.51 -0.26 -3.44 116.25 115.60 1wbl h VAL 57 Ca -0.25 -0.64 0.05 0.00 -1.23 0.00 0.00 66.70 64.62 1wbl h VAL 57 Cb 1.08 1.54 -0.10 0.00 -2.13 0.00 0.00 31.29 31.67 1wbl h VAL 57 CO 1.03 0.00 0.30 -1.66 -1.23 0.00 0.00 177.57 176.01 1wbl s TRP 58 N -3.16 -0.36 -0.12 5.19 1.48 -1.19 0.10 118.94 120.88 1wbl s TRP 58 Ca 0.08 0.08 0.02 0.00 -1.06 0.00 0.00 56.10 55.22 1wbl s TRP 58 Cb 0.10 0.61 0.02 0.00 -1.16 0.00 0.00 33.47 33.04 1wbl s TRP 58 CO 0.65 -0.90 -0.16 0.34 -4.06 0.00 0.00 176.95 172.82 1wbl s ASP 59 N -2.77 2.62 0.18 -2.66 2.15 0.68 -4.64 116.67 112.23 1wbl s ASP 59 Ca 0.06 -0.47 -0.06 0.00 0.43 0.00 0.00 52.55 52.50 1wbl s ASP 59 Cb -0.02 -1.18 0.09 0.00 -0.30 0.00 0.00 42.92 41.51 1wbl s ASP 59 CO -0.05 0.01 1.55 0.77 -0.17 0.00 0.00 175.17 177.28 1wbl h SER 60 N 7.55 0.83 -0.00 -0.34 4.64 -1.93 0.24 113.55 124.53 1wbl h SER 60 Ca -0.33 -0.36 0.00 0.00 -0.47 0.00 0.00 61.79 60.63 1wbl h SER 60 Cb 1.17 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 63.03 1wbl h SER 60 CO 0.51 1.10 0.00 0.74 -0.87 0.00 0.00 176.83 178.31 1wbl h THR 61 N 0.65 1.01 0.00 2.95 2.02 -1.96 -3.22 112.91 114.36 1wbl h THR 61 Ca 0.06 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.21 1wbl h THR 61 Cb 0.90 1.03 0.00 0.00 -1.74 0.00 0.00 68.15 68.34 1wbl h THR 61 CO 0.08 0.01 -1.53 0.35 0.37 0.00 0.00 175.52 174.80 1wbl n THR 62 N -5.08 0.16 -0.81 3.16 -2.24 -1.24 -4.97 114.28 103.25 1wbl n THR 62 Ca -0.07 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 1wbl n THR 62 Cb 0.04 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 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 1.28 0.99 3.77 3.38 0.00 0.82 -5.02 105.19 110.42 1wbl n GLY 63 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.03 5.56 0.08 1.61 0.02 -1.18 -4.78 114.94 113.23 1wbl s ASN 64 Ca 0.00 2.14 0.06 0.00 -1.02 0.00 0.00 52.86 54.04 1wbl s ASN 64 Cb 0.00 -2.57 -0.03 0.00 0.02 0.00 0.00 41.25 38.66 1wbl s ASN 64 CO 0.00 -1.33 -0.16 0.54 0.02 0.00 0.00 177.10 176.17 1wbl s VAL 65 N -1.90 1.29 0.36 1.60 0.11 -1.26 -0.23 120.40 120.37 1wbl s VAL 65 Ca 0.72 -1.41 -0.11 0.00 -2.93 0.00 0.00 61.98 58.25 1wbl s VAL 65 Cb -0.23 -1.24 -0.07 0.00 -1.53 0.00 0.00 36.38 33.31 1wbl s VAL 65 CO 0.31 -0.20 0.72 0.00 -3.33 0.00 0.00 175.10 172.59 1wbl s ALA 66 N -1.34 3.39 -0.12 1.54 0.00 0.11 -4.70 121.76 120.65 1wbl s ALA 66 Ca 0.01 -0.20 -0.03 0.00 0.00 0.00 0.00 51.96 51.74 1wbl s ALA 66 Cb -0.09 -2.65 -0.03 0.00 0.00 0.00 0.00 23.12 20.34 1wbl s ALA 66 CO 0.03 0.13 -0.00 -1.12 0.00 0.00 0.00 175.76 174.79 1wbl s SER 67 N -2.93 5.16 0.08 0.00 0.01 -0.88 -4.41 113.70 110.73 1wbl s SER 67 Ca 0.51 0.05 0.02 0.00 1.31 0.00 0.00 55.95 57.84 1wbl s SER 67 Cb -0.10 -1.64 -0.03 0.00 0.21 0.00 0.00 66.02 64.45 1wbl s SER 67 CO 0.28 0.28 -0.08 0.72 0.41 0.00 0.00 173.24 174.85 1wbl s PHE 68 N -0.31 0.86 -0.03 2.43 -0.12 -0.94 -0.99 117.98 118.88 1wbl s PHE 68 Ca 0.06 -0.73 -0.01 0.00 -0.05 0.00 0.00 56.93 56.21 1wbl s PHE 68 Cb -0.12 -0.49 0.03 0.00 -0.63 0.00 0.00 43.02 41.80 1wbl s PHE 68 CO 0.02 -0.10 0.04 -2.00 -0.05 0.00 0.00 175.22 173.13 1wbl s GLU 69 N -2.89 -0.05 -0.01 1.99 2.12 0.09 -0.33 118.70 119.62 1wbl s GLU 69 Ca 0.03 0.26 0.04 0.00 0.36 0.00 0.00 54.97 55.67 1wbl s GLU 69 Cb -0.01 -0.36 -0.01 0.00 0.26 0.00 0.00 34.13 34.01 1wbl s GLU 69 CO -0.02 -0.23 -0.13 -0.08 -0.54 0.00 0.00 175.26 174.25 1wbl s THR 70 N 1.52 1.05 -0.02 -1.70 -1.32 0.43 -1.09 115.64 114.51 1wbl s THR 70 Ca -0.03 -0.57 0.02 0.00 -1.21 0.00 0.00 61.69 59.90 1wbl s THR 70 Cb -0.13 -0.88 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 1wbl s THR 70 CO -0.03 0.30 -0.08 -0.13 -2.21 0.00 0.00 174.62 172.47 1wbl s ARG 71 N -0.29 0.85 0.15 7.08 0.52 -0.96 -0.51 118.95 125.79 1wbl s ARG 71 Ca 0.05 -0.28 -0.15 0.00 -0.52 0.00 0.00 55.73 54.83 1wbl s ARG 71 Cb -0.05 -0.81 0.02 0.00 0.52 0.00 0.00 34.95 34.63 1wbl s ARG 71 CO -0.00 0.11 0.40 -0.59 0.02 0.00 0.00 175.30 175.23 1wbl s PHE 72 N 0.15 -0.05 -0.01 -0.53 -0.12 -0.98 -0.03 117.98 116.41 1wbl s PHE 72 Ca -0.02 -0.30 0.08 0.00 -0.05 0.00 0.00 56.93 56.64 1wbl s PHE 72 Cb -0.07 0.21 -0.02 0.00 -0.63 0.00 0.00 43.02 42.51 1wbl s PHE 72 CO 0.00 -0.75 -0.25 -1.12 -0.05 0.00 0.00 175.22 173.05 1wbl s SER 73 N -2.86 2.98 0.07 1.98 0.01 -0.48 -1.37 113.70 114.04 1wbl s SER 73 Ca 0.07 -0.47 -0.00 0.00 1.31 0.00 0.00 55.95 56.85 1wbl s SER 73 Cb 0.02 -0.32 -0.04 0.00 0.21 0.00 0.00 66.02 65.88 1wbl s SER 73 CO -0.07 0.30 -0.02 0.72 0.41 0.00 0.00 173.24 174.58 1wbl s PHE 74 N -0.62 0.64 -0.02 2.43 -0.12 -0.75 -0.81 117.98 118.73 1wbl s PHE 74 Ca 0.10 -1.06 0.01 0.00 -0.05 0.00 0.00 56.93 55.92 1wbl s PHE 74 Cb -0.10 -0.43 0.02 0.00 -0.63 0.00 0.00 43.02 41.88 1wbl s PHE 74 CO -0.01 -0.36 -0.01 0.45 -0.05 0.00 0.00 175.22 175.25 1wbl s SER 75 N -2.96 0.40 -0.22 1.98 0.15 0.28 -1.15 113.70 112.17 1wbl s SER 75 Ca 0.10 -0.04 -0.01 0.00 0.70 0.00 0.00 55.95 56.71 1wbl s SER 75 Cb 0.07 -0.17 0.06 0.00 -1.71 0.00 0.00 66.02 64.27 1wbl s SER 75 CO -0.07 -0.06 -0.01 -0.63 1.20 0.00 0.00 173.24 173.67 1wbl s ILE 76 N 0.71 1.06 -0.30 6.45 1.01 -1.26 -1.55 121.20 127.31 1wbl s ILE 76 Ca -0.07 -0.93 -0.09 0.00 0.00 0.00 0.00 60.65 59.56 1wbl s ILE 76 Cb -0.10 -1.45 -0.01 0.00 0.01 0.00 0.00 42.46 40.91 1wbl s ILE 76 CO -0.01 -0.17 0.13 -0.60 0.00 0.00 0.00 174.94 174.29 1wbl s ARG 77 N 1.61 3.36 -0.80 2.79 3.52 -1.26 -1.91 118.95 126.26 1wbl s ARG 77 Ca -0.03 -0.70 -0.16 0.00 -0.13 0.00 0.00 55.73 54.71 1wbl s ARG 77 Cb -0.18 -3.51 0.17 0.00 -1.56 0.00 0.00 34.95 29.87 1wbl s ARG 77 CO -0.07 -0.39 0.84 -0.65 -0.81 0.00 0.00 175.30 174.22 1wbl s GLN 78 N 1.60 3.47 0.20 5.12 -0.21 -1.26 -2.04 119.66 126.55 1wbl s GLN 78 Ca 0.05 -2.04 -0.10 0.00 0.02 0.00 0.00 55.36 53.29 1wbl s GLN 78 Cb -0.17 -4.53 0.14 0.00 1.00 0.00 0.00 33.01 29.45 1wbl s GLN 78 CO 0.06 -1.47 1.81 -1.35 -2.12 0.00 0.00 175.29 172.22 1wbl h PRO 79 N 8.37 1.02 -4.20 2.91 0.11 -1.97 -3.37 132.00 134.87 1wbl h PRO 79 Ca 0.03 -0.12 -0.73 0.00 0.11 0.00 0.00 66.00 65.29 1wbl h PRO 79 Cb 1.05 -0.20 -0.30 0.00 0.11 0.00 0.00 31.00 31.66 1wbl h PRO 79 CO 0.93 0.77 -0.36 -0.06 -0.21 0.00 0.00 178.00 179.06 1wbl s PHE 80 N -5.82 3.46 0.25 0.65 0.08 -1.26 -4.89 117.98 110.44 1wbl s PHE 80 Ca -0.13 -1.99 0.05 0.00 0.12 0.00 0.00 56.93 54.99 1wbl s PHE 80 Cb 0.15 -3.48 0.28 0.00 -0.57 0.00 0.00 43.02 39.39 1wbl s PHE 80 CO 0.80 -0.98 1.58 -1.00 -0.10 0.00 0.00 175.22 175.52 1wbl h PRO 81 N 8.25 0.21 0.00 0.24 0.13 -1.92 -3.41 132.00 135.50 1wbl h PRO 81 Ca -0.17 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1wbl h PRO 81 Cb 1.06 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1wbl h PRO 81 CO 0.83 0.74 0.00 0.54 -0.23 0.00 0.00 178.00 179.88 1wbl n ARG 82 N -3.88 0.00 -0.04 0.86 1.74 -1.26 -3.60 116.66 110.48 1wbl n ARG 82 Ca -0.02 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.03 1wbl n ARG 82 Cb 0.61 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 32.04 1wbl n ARG 82 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1wbl h PRO 83 N 0.00 0.00 -0.15 5.56 0.14 -1.85 -3.50 132.00 132.19 1wbl h PRO 83 Ca 0.00 0.00 0.26 0.00 0.14 0.00 0.00 66.00 66.40 1wbl h PRO 83 Cb 0.00 0.00 -0.27 0.00 0.14 0.00 0.00 31.00 30.87 1wbl h PRO 83 CO 0.00 0.00 0.50 -3.38 0.14 0.00 0.00 178.00 175.26 1wbl s HIS 84 N -1.69 -0.11 0.70 1.56 -3.43 -1.24 -5.11 115.29 105.97 1wbl s HIS 84 Ca -0.08 0.19 -0.14 0.00 -0.80 0.00 0.00 55.06 54.22 1wbl s HIS 84 Cb 0.01 0.06 0.02 0.00 -1.43 0.00 0.00 32.58 31.24 1wbl s HIS 84 CO 0.12 -0.06 1.13 -2.14 -2.00 0.00 0.00 174.74 171.79 1wbl s PRO 85 N 2.16 2.54 0.01 -0.38 0.02 -1.26 -4.01 135.00 134.09 1wbl s PRO 85 Ca -0.01 1.44 -0.28 0.00 0.02 0.00 0.00 61.00 62.17 1wbl s PRO 85 Cb -0.02 -1.91 0.08 0.00 0.02 0.00 0.00 34.50 32.67 1wbl s PRO 85 CO -0.15 -1.46 0.72 0.00 -0.33 0.00 0.00 177.00 175.78 1wbl s ALA 86 N -2.35 -1.74 -0.08 -1.55 0.00 -1.26 -4.10 121.76 110.68 1wbl s ALA 86 Ca 0.68 1.05 -0.02 0.00 0.00 0.00 0.00 51.96 53.66 1wbl s ALA 86 Cb -0.22 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.11 1wbl s ALA 86 CO 0.44 -0.53 -0.09 -0.25 0.00 0.00 0.00 175.76 175.34 1wbl n ASP 87 N 0.33 1.97 0.00 0.00 9.92 -0.11 -3.46 116.55 125.20 1wbl n ASP 87 Ca -0.16 0.03 0.00 0.00 -0.53 0.00 0.00 54.79 54.13 1wbl n ASP 87 Cb 0.60 -0.18 0.00 0.00 -0.64 0.00 0.00 41.12 40.90 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 2.81 -0.60 3.15 0.44 0.00 -1.16 -0.05 105.19 109.78 1wbl n GLY 88 Ca -0.15 -1.45 -0.10 0.00 0.00 0.00 0.00 46.02 44.32 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 2.08 0.00 0.99 0.05 -1.02 -2.10 118.68 118.69 1wbl s LEU 89 Ca 0.00 -1.13 -0.10 0.00 0.05 0.00 0.00 54.13 52.94 1wbl s LEU 89 Cb 0.00 0.17 0.01 0.00 -2.05 0.00 0.00 46.19 44.32 1wbl s LEU 89 CO 0.00 -0.64 0.21 0.68 -0.55 0.00 0.00 176.35 176.05 1wbl s VAL 90 N -3.91 0.08 -0.23 1.48 -7.23 0.68 -1.07 120.40 110.20 1wbl s VAL 90 Ca 0.19 -0.64 -0.09 0.00 -1.81 0.00 0.00 61.98 59.63 1wbl s VAL 90 Cb 0.07 -0.57 -0.04 0.00 0.56 0.00 0.00 36.38 36.40 1wbl s VAL 90 CO -0.01 -0.35 0.12 0.12 -0.31 0.00 0.00 175.10 174.66 1wbl s PHE 91 N -1.54 3.23 0.19 2.82 5.36 0.50 -1.87 117.98 126.67 1wbl s PHE 91 Ca -0.13 0.02 0.03 0.00 -0.96 0.00 0.00 56.93 55.90 1wbl s PHE 91 Cb -0.06 -2.22 -0.05 0.00 -0.34 0.00 0.00 43.02 40.35 1wbl s PHE 91 CO 0.02 -0.04 -0.03 -0.59 -1.46 0.00 0.00 175.22 173.12 1wbl s PHE 92 N 1.09 1.37 -0.04 10.12 -0.71 -0.53 0.21 117.98 129.49 1wbl s PHE 92 Ca 0.06 -0.90 0.02 0.00 -1.04 0.00 0.00 56.93 55.07 1wbl s PHE 92 Cb -0.14 -0.76 0.01 0.00 -1.21 0.00 0.00 43.02 40.92 1wbl s PHE 92 CO 0.04 -0.06 -0.09 0.42 -1.34 0.00 0.00 175.22 174.19 1wbl s ILE 93 N -3.47 0.84 0.31 -4.49 1.01 0.11 -2.34 121.20 113.16 1wbl s ILE 93 Ca 0.24 -0.36 -0.15 0.00 0.00 0.00 0.00 60.65 60.38 1wbl s ILE 93 Cb 0.05 -0.77 0.02 0.00 0.01 0.00 0.00 42.46 41.77 1wbl s ILE 93 CO 0.05 0.27 0.64 0.00 0.00 0.00 0.00 174.94 175.90 1wbl s ALA 94 N 0.41 -0.56 0.81 9.38 0.00 -0.87 -1.73 121.76 129.21 1wbl s ALA 94 Ca -0.07 -0.74 -0.13 0.00 0.00 0.00 0.00 51.96 51.02 1wbl s ALA 94 Cb -0.11 0.90 0.09 0.00 0.00 0.00 0.00 23.12 24.00 1wbl s ALA 94 CO 0.01 -0.94 1.19 -2.14 0.00 0.00 0.00 175.76 173.88 1wbl s PRO 95 N -3.39 1.61 0.70 0.00 0.02 -1.26 -0.50 135.00 132.19 1wbl s PRO 95 Ca 0.18 1.69 -0.11 0.00 0.02 0.00 0.00 61.00 62.78 1wbl s PRO 95 Cb -0.04 -1.78 0.01 0.00 0.02 0.00 0.00 34.50 32.71 1wbl s PRO 95 CO 0.11 -2.22 1.06 -1.25 -0.33 0.00 0.00 177.00 174.37 1wbl s PRO 96 N -4.23 2.94 -0.84 5.54 0.04 -1.26 -4.00 135.00 133.18 1wbl s PRO 96 Ca 0.72 0.77 -0.01 0.00 0.04 0.00 0.00 61.00 62.51 1wbl s PRO 96 Cb -0.27 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.27 1wbl s PRO 96 CO 0.51 -1.05 0.16 0.09 0.04 0.00 0.00 177.00 176.75 1wbl n ASN 97 N -3.07 -3.67 -4.93 6.66 5.03 -1.26 -5.02 115.26 109.00 1wbl n ASN 97 Ca 0.07 -0.08 -0.25 0.00 0.87 0.00 0.00 54.58 55.18 1wbl n ASN 97 Cb 0.55 -2.73 0.02 0.00 -1.02 0.00 0.00 39.78 36.60 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 -2.70 3.83 0.16 3.41 -4.23 -1.26 -5.11 115.64 109.75 1wbl s THR 98 Ca 0.08 -0.14 0.09 0.00 -1.18 0.00 0.00 61.69 60.53 1wbl s THR 98 Cb -0.04 -3.48 -0.04 0.00 1.34 0.00 0.00 72.50 70.28 1wbl s THR 98 CO 0.10 -0.44 -0.20 -1.10 -0.54 0.00 0.00 174.62 172.44 1wbl s GLN 99 N -4.84 1.28 -0.12 3.99 -0.21 -1.26 -5.09 119.66 113.41 1wbl s GLN 99 Ca 0.52 -1.38 -0.37 0.00 0.02 0.00 0.00 55.36 54.15 1wbl s GLN 99 Cb -0.10 -1.42 -0.14 0.00 1.00 0.00 0.00 33.01 32.35 1wbl s GLN 99 CO 0.43 0.30 1.75 2.41 -2.12 0.00 0.00 175.29 178.06 1wbl n THR 100 N 0.43 0.37 -0.24 -0.19 -1.04 -1.26 -4.97 114.28 107.37 1wbl n THR 100 Ca -0.14 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 61.80 1wbl n THR 100 Cb 0.56 -1.50 0.00 0.00 -1.82 0.00 0.00 70.33 67.57 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 -0.36 3.75 3.41 0.00 0.29 -4.99 105.19 111.36 1wbl n GLY 101 Ca 0.23 -1.67 -0.41 0.00 0.00 0.00 0.00 46.02 44.16 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 0.38 4.25 0.00 1.61 2.56 0.54 -4.43 118.70 123.60 1wbl s GLU 102 Ca 0.00 2.35 0.00 0.00 0.00 0.00 0.00 54.97 57.32 1wbl s GLU 102 Cb 0.00 -3.09 0.00 0.00 2.00 0.00 0.00 34.13 33.04 1wbl s GLU 102 CO 0.00 -0.43 0.00 0.41 -0.56 0.00 0.00 175.26 174.68 1wbl n GLY 103 N 1.95 -0.11 7.00 -1.50 0.00 -1.26 -0.52 105.19 110.75 1wbl n GLY 103 Ca 0.06 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.61 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 4.30 1.64 0.00 -0.02 0.00 -1.25 -2.58 105.19 107.28 1wbl n GLY 104 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.21 0.53 -0.02 0.00 -1.26 -0.48 105.19 103.75 1wbl n GLY 105 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.16 0.00 -0.70 1.61 4.01 -1.07 -4.97 117.16 114.88 1wbl n TYR 106 Ca 0.00 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1wbl n TYR 106 Cb 0.05 -0.02 -0.00 0.00 -0.31 0.00 0.00 39.34 39.06 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 0.10 -0.00 -0.68 -0.72 3.72 0.37 -0.92 117.46 119.33 1wbl n PHE 107 Ca 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 1wbl n PHE 107 Cb 0.47 -1.55 0.00 0.00 -0.94 0.00 0.00 39.48 37.45 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 0.67 0.65 0.00 1.37 0.00 0.32 -2.88 105.19 105.32 1wbl n GLY 108 Ca -0.00 -0.12 0.05 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.68 0.00 -4.55 -0.61 -5.35 -0.10 -0.55 119.36 105.52 1wbl n ILE 109 Ca 0.00 -0.24 -0.33 0.00 -0.27 0.00 0.00 62.75 61.91 1wbl n ILE 109 Cb 0.00 0.55 -0.13 0.00 -1.74 0.00 0.00 39.64 38.32 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 -2.35 2.93 -0.54 4.28 5.04 -1.20 -4.79 117.35 120.73 1wbl s TYR 110 Ca -0.01 -0.45 0.04 0.00 -2.44 0.00 0.00 57.07 54.21 1wbl s TYR 110 Cb 0.06 -1.91 0.14 0.00 0.35 0.00 0.00 41.96 40.60 1wbl s TYR 110 CO 0.38 -0.11 0.30 1.21 -1.34 0.00 0.00 175.55 175.98 1wbl s ASN 111 N 0.37 4.26 0.59 4.32 2.47 -1.26 -0.34 114.94 125.34 1wbl s ASN 111 Ca -0.07 -3.11 0.22 0.00 0.42 0.00 0.00 52.86 50.32 1wbl s ASN 111 Cb -0.15 -1.53 1.18 0.00 -1.45 0.00 0.00 41.25 39.30 1wbl s ASN 111 CO 0.04 -0.21 1.64 1.55 -3.72 0.00 0.00 177.10 176.40 1wbl h PRO 112 N 6.33 0.00 -0.00 0.43 0.13 -1.99 0.81 132.00 137.70 1wbl h PRO 112 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1wbl h PRO 112 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1wbl h PRO 112 CO 0.66 0.00 -0.41 1.47 -0.23 0.00 0.00 178.00 179.49 1wbl n LEU 113 N -2.64 0.73 -2.68 1.56 -0.00 -1.26 -4.57 117.00 108.15 1wbl n LEU 113 Ca -0.01 -0.12 -0.05 0.00 -0.00 0.00 0.00 56.01 55.82 1wbl n LEU 113 Cb 0.46 -0.19 0.08 0.00 -0.00 0.00 0.00 43.42 43.77 1wbl n LEU 113 CO 0.10 0.16 0.55 -1.20 -0.00 0.00 0.00 177.39 176.99 1wbl n SER 114 N -1.14 -1.57 -4.74 1.45 7.64 0.14 -5.17 113.62 110.24 1wbl n SER 114 Ca 0.08 -2.09 -0.35 0.00 1.01 0.00 0.00 58.87 57.52 1wbl n SER 114 Cb 0.34 0.99 0.07 0.00 -1.01 0.00 0.00 64.21 64.60 1wbl n SER 114 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 1wbl s PRO 115 N 0.19 2.53 0.09 1.43 0.02 -0.37 -4.71 135.00 134.19 1wbl s PRO 115 Ca 0.26 1.77 0.05 0.00 0.02 0.00 0.00 61.00 63.10 1wbl s PRO 115 Cb 0.23 -1.88 -0.03 0.00 0.02 0.00 0.00 34.50 32.83 1wbl s PRO 115 CO -0.12 -1.53 -0.13 1.52 -0.33 0.00 0.00 177.00 176.40 1wbl s TYR 116 N -1.84 1.24 0.61 6.54 -0.85 -1.26 -5.04 117.35 116.75 1wbl s TYR 116 Ca 0.75 -0.53 -0.16 0.00 -0.52 0.00 0.00 57.07 56.61 1wbl s TYR 116 Cb -0.29 -0.67 -0.03 0.00 0.38 0.00 0.00 41.96 41.34 1wbl s TYR 116 CO 0.40 0.07 1.07 -1.25 -1.52 0.00 0.00 175.55 174.33 1wbl s PRO 117 N -2.28 3.19 -0.02 -3.49 0.04 -1.26 -4.95 135.00 126.22 1wbl s PRO 117 Ca 0.03 1.27 -0.29 0.00 0.04 0.00 0.00 61.00 62.06 1wbl s PRO 117 Cb -0.07 -2.01 0.10 0.00 0.04 0.00 0.00 34.50 32.56 1wbl s PRO 117 CO 0.02 -0.92 0.86 -0.59 0.04 0.00 0.00 177.00 176.40 1wbl s PHE 118 N -2.39 -0.41 -0.13 0.56 -0.12 -1.26 -4.06 117.98 110.18 1wbl s PHE 118 Ca 0.65 0.41 0.01 0.00 -0.05 0.00 0.00 56.93 57.95 1wbl s PHE 118 Cb -0.17 0.51 0.02 0.00 -0.63 0.00 0.00 43.02 42.74 1wbl s PHE 118 CO 0.37 -0.54 -0.14 0.08 -0.05 0.00 0.00 175.22 174.94 1wbl s VAL 119 N -2.55 1.52 0.02 -2.49 1.01 -0.70 0.32 120.40 117.53 1wbl s VAL 119 Ca 0.01 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.38 1wbl s VAL 119 Cb -0.01 -1.41 -0.02 0.00 0.00 0.00 0.00 36.38 34.95 1wbl s VAL 119 CO -0.05 0.45 -0.05 0.00 0.00 0.00 0.00 175.10 175.45 1wbl s ALA 120 N 1.24 0.34 -0.21 5.51 0.00 0.16 0.03 121.76 128.83 1wbl s ALA 120 Ca -0.01 -0.52 -0.04 0.00 0.00 0.00 0.00 51.96 51.38 1wbl s ALA 120 Cb -0.14 0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.01 1wbl s ALA 120 CO -0.06 -0.04 -0.02 0.08 0.00 0.00 0.00 175.76 175.72 1wbl s VAL 121 N -1.01 3.60 0.19 0.00 1.01 0.13 0.53 120.40 124.85 1wbl s VAL 121 Ca -0.08 -0.42 0.07 0.00 0.00 0.00 0.00 61.98 61.55 1wbl s VAL 121 Cb -0.07 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 1wbl s VAL 121 CO -0.00 0.42 0.04 -1.83 0.00 0.00 0.00 175.10 173.73 1wbl s GLU 122 N 1.32 2.52 -0.43 2.72 -1.05 -0.42 -0.37 118.70 122.99 1wbl s GLU 122 Ca 0.04 -1.10 0.02 0.00 -0.15 0.00 0.00 54.97 53.78 1wbl s GLU 122 Cb -0.14 -2.40 0.13 0.00 -0.44 0.00 0.00 34.13 31.28 1wbl s GLU 122 CO -0.01 0.45 0.23 -0.06 0.95 0.00 0.00 175.26 176.81 1wbl s PHE 123 N -1.83 1.91 -0.17 4.83 0.08 -0.23 -1.80 117.98 120.77 1wbl s PHE 123 Ca 0.29 -2.35 -0.21 0.00 0.12 0.00 0.00 56.93 54.78 1wbl s PHE 123 Cb -0.09 -1.83 -0.03 0.00 -0.57 0.00 0.00 43.02 40.50 1wbl s PHE 123 CO 0.20 -0.79 0.62 0.34 -0.10 0.00 0.00 175.22 175.49 1wbl s ASP 124 N 0.47 6.72 0.00 1.36 -1.08 -0.81 -2.42 116.67 120.91 1wbl s ASP 124 Ca 0.17 0.87 0.14 0.00 -0.52 0.00 0.00 52.55 53.22 1wbl s ASP 124 Cb -0.24 -2.35 -0.07 0.00 -1.46 0.00 0.00 42.92 38.80 1wbl s ASP 124 CO -0.01 -0.23 0.69 0.35 0.52 0.00 0.00 175.17 176.50 1wbl n THR 125 N 4.48 0.00 -4.63 1.71 -2.24 0.93 -2.12 114.28 112.40 1wbl n THR 125 Ca -0.02 -0.27 -0.29 0.00 -2.27 0.00 0.00 64.05 61.20 1wbl n THR 125 Cb 0.50 1.09 -0.17 0.00 -2.10 0.00 0.00 70.33 69.65 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 -1.99 2.01 -0.81 4.78 5.36 -1.12 -4.64 117.98 121.57 1wbl s PHE 126 Ca 0.09 -0.89 -0.25 0.00 -0.96 0.00 0.00 56.93 54.92 1wbl s PHE 126 Cb 0.11 -1.42 0.05 0.00 -0.34 0.00 0.00 43.02 41.42 1wbl s PHE 126 CO 0.45 -0.43 1.25 0.50 -1.46 0.00 0.00 175.22 175.53 1wbl s ARG 127 N 0.79 3.30 0.78 10.12 3.52 -1.26 -5.00 118.95 131.21 1wbl s ARG 127 Ca -0.11 -0.69 -0.13 0.00 -0.13 0.00 0.00 55.73 54.68 1wbl s ARG 127 Cb -0.16 -4.53 0.18 0.00 -1.56 0.00 0.00 34.95 28.88 1wbl s ARG 127 CO 0.01 -2.07 1.01 0.09 -0.81 0.00 0.00 175.30 173.53 1wbl n ASN 128 N 8.71 -0.15 -0.08 -2.12 4.13 -1.26 -4.89 115.26 119.60 1wbl n ASN 128 Ca 0.10 -1.33 -0.08 0.00 1.68 0.00 0.00 54.58 54.96 1wbl n ASN 128 Cb 0.49 -0.79 -0.00 0.00 -1.54 0.00 0.00 39.78 37.94 1wbl n ASN 128 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 1wbl h THR 129 N -1.70 0.97 0.00 3.41 1.35 -2.00 -1.78 112.91 113.16 1wbl h THR 129 Ca -0.33 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 1wbl h THR 129 Cb 0.92 0.65 0.00 0.00 -1.73 0.00 0.00 68.15 67.99 1wbl h THR 129 CO 0.23 0.05 0.00 -2.67 -0.25 0.00 0.00 175.52 172.89 1wbl n TRP 130 N -4.97 0.00 -4.72 4.73 2.14 -1.26 -4.89 117.44 108.47 1wbl n TRP 130 Ca -0.00 -0.16 -0.28 0.00 2.07 0.00 0.00 57.50 59.13 1wbl n TRP 130 Cb 0.08 -0.14 -0.14 0.00 -0.81 0.00 0.00 31.31 30.30 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 0.29 2.89 0.91 -0.67 1.01 -0.67 -4.80 116.67 115.63 1wbl s ASP 131 Ca 0.00 -0.59 -0.02 0.00 0.71 0.00 0.00 52.55 52.65 1wbl s ASP 131 Cb 0.00 -0.24 0.03 0.00 1.01 0.00 0.00 42.92 43.72 1wbl s ASP 131 CO 0.00 0.20 0.16 -0.81 0.21 0.00 0.00 175.17 174.93 1wbl n PRO 132 N 1.67 -0.06 -1.84 8.23 -0.04 -1.26 -4.78 135.00 136.92 1wbl n PRO 132 Ca -0.17 -0.27 -0.38 0.00 -0.04 0.00 0.00 63.50 62.64 1wbl n PRO 132 Cb 0.53 -0.16 0.03 0.00 -0.04 0.00 0.00 33.50 33.86 1wbl n PRO 132 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1wbl s GLN 133 N -3.27 3.23 0.24 0.54 1.11 -1.26 -4.80 119.66 115.46 1wbl s GLN 133 Ca 0.09 2.19 0.10 0.00 0.01 0.00 0.00 55.36 57.75 1wbl s GLN 133 Cb -0.00 -2.29 -0.04 0.00 -1.01 0.00 0.00 33.01 29.66 1wbl s GLN 133 CO 0.06 -1.10 -0.08 0.96 0.01 0.00 0.00 175.29 175.15 1wbl s ILE 134 N -1.33 3.14 0.94 1.08 -5.25 -1.26 -4.44 121.20 114.08 1wbl s ILE 134 Ca 0.70 -1.95 -0.14 0.00 -0.99 0.00 0.00 60.65 58.27 1wbl s ILE 134 Cb -0.39 -2.64 0.16 0.00 2.95 0.00 0.00 42.46 42.54 1wbl s ILE 134 CO 0.46 -0.30 1.19 -2.84 -1.79 0.00 0.00 174.94 171.67 1wbl s PRO 135 N -3.38 0.89 -0.24 0.37 0.02 -1.25 -4.94 135.00 126.46 1wbl s PRO 135 Ca 0.29 0.02 -0.27 0.00 0.02 0.00 0.00 61.00 61.06 1wbl s PRO 135 Cb -0.07 -1.83 0.14 0.00 0.02 0.00 0.00 34.50 32.76 1wbl s PRO 135 CO 0.17 -2.32 1.12 -3.38 -0.33 0.00 0.00 177.00 172.26 1wbl s HIS 136 N -3.48 -0.33 0.38 6.54 -3.43 -0.90 -2.03 115.29 112.04 1wbl s HIS 136 Ca 0.67 0.72 -0.18 0.00 -0.80 0.00 0.00 55.06 55.47 1wbl s HIS 136 Cb -0.10 0.42 -0.10 0.00 -1.43 0.00 0.00 32.58 31.37 1wbl s HIS 136 CO 0.53 -0.22 0.84 0.42 -2.00 0.00 0.00 174.74 174.31 1wbl s ILE 137 N -0.37 4.55 -0.03 -5.38 1.01 0.26 -1.92 121.20 119.32 1wbl s ILE 137 Ca 0.03 1.19 -0.16 0.00 0.00 0.00 0.00 60.65 61.71 1wbl s ILE 137 Cb -0.03 -3.61 0.03 0.00 0.01 0.00 0.00 42.46 38.86 1wbl s ILE 137 CO -0.05 -0.27 0.34 -0.83 0.00 0.00 0.00 174.94 174.13 1wbl s GLY 138 N -2.28 -0.20 -0.29 6.18 0.00 -0.74 -1.46 107.32 108.53 1wbl s GLY 138 Ca 0.58 0.46 -0.09 0.00 0.00 0.00 0.00 44.72 45.67 1wbl s GLY 138 CO 0.16 0.25 0.14 -0.42 0.00 0.00 0.00 173.10 173.23 1wbl s ILE 139 N -1.19 4.67 -0.28 0.90 1.01 -0.87 -1.30 121.20 124.14 1wbl s ILE 139 Ca -0.12 -0.25 -0.07 0.00 0.00 0.00 0.00 60.65 60.22 1wbl s ILE 139 Cb -0.05 -3.30 0.00 0.00 0.01 0.00 0.00 42.46 39.12 1wbl s ILE 139 CO 0.04 0.17 0.07 -1.81 0.00 0.00 0.00 174.94 173.41 1wbl s ASP 140 N 1.64 5.05 -0.29 3.58 1.01 0.19 -0.30 116.67 127.55 1wbl s ASP 140 Ca 0.06 -0.63 -0.02 0.00 0.71 0.00 0.00 52.55 52.67 1wbl s ASP 140 Cb -0.16 -1.87 0.05 0.00 1.01 0.00 0.00 42.92 41.94 1wbl s ASP 140 CO 0.06 -0.16 -0.01 -0.69 0.21 0.00 0.00 175.17 174.58 1wbl s VAL 141 N 1.51 2.94 0.00 -1.27 1.01 -1.26 0.39 120.40 123.72 1wbl s VAL 141 Ca 0.03 -1.35 0.00 0.00 0.00 0.00 0.00 61.98 60.66 1wbl s VAL 141 Cb -0.17 -2.67 0.00 0.00 0.00 0.00 0.00 36.38 33.55 1wbl s VAL 141 CO 0.02 -0.06 0.00 0.59 0.00 0.00 0.00 175.10 175.65 1wbl n ASN 142 N 4.62 -2.60 -3.94 3.32 3.02 0.15 -4.86 115.26 114.97 1wbl n ASN 142 Ca -0.14 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.32 1wbl n ASN 142 Cb 0.44 -2.72 -0.05 0.00 -0.61 0.00 0.00 39.78 36.84 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 -1.81 -0.07 0.00 6.41 0.15 -1.26 -4.86 113.70 112.26 1wbl s SER 143 Ca 0.00 -0.93 0.22 0.00 0.70 0.00 0.00 55.95 55.94 1wbl s SER 143 Cb 0.00 0.61 0.00 0.00 -1.71 0.00 0.00 66.02 64.92 1wbl s SER 143 CO 0.00 -1.18 1.07 0.52 1.20 0.00 0.00 173.24 174.85 1wbl n VAL 144 N -0.40 0.00 -2.83 4.45 0.31 -1.26 -4.67 118.33 113.93 1wbl n VAL 144 Ca -0.02 -0.05 -0.43 0.00 -0.01 0.00 0.00 64.34 63.83 1wbl n VAL 144 Cb 0.62 0.87 -0.04 0.00 -0.91 0.00 0.00 33.84 34.37 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 -2.88 4.38 0.34 2.52 2.07 -1.26 -4.98 121.20 121.39 1wbl s ILE 145 Ca 0.11 0.29 -0.29 0.00 -1.41 0.00 0.00 60.65 59.36 1wbl s ILE 145 Cb 0.17 -4.55 -0.11 0.00 0.13 0.00 0.00 42.46 38.10 1wbl s ILE 145 CO 0.77 -1.13 1.54 -0.44 -1.91 0.00 0.00 174.94 173.77 1wbl s SER 146 N 2.86 6.34 0.17 4.50 0.01 -1.26 -4.73 113.70 121.58 1wbl s SER 146 Ca 0.31 3.02 -0.06 0.00 1.31 0.00 0.00 55.95 60.53 1wbl s SER 146 Cb -0.12 -2.65 0.04 0.00 0.21 0.00 0.00 66.02 63.49 1wbl s SER 146 CO 0.19 -0.90 1.46 0.71 0.41 0.00 0.00 173.24 175.11 1wbl h THR 147 N 3.16 1.31 -3.72 1.44 1.35 -1.03 -3.45 112.91 111.96 1wbl h THR 147 Ca -0.49 -1.83 -0.36 0.00 -0.55 0.00 0.00 66.41 63.18 1wbl h THR 147 Cb 1.23 1.79 -0.19 0.00 -1.73 0.00 0.00 68.15 69.26 1wbl h THR 147 CO 0.71 0.57 -0.75 -0.75 -0.25 0.00 0.00 175.52 175.06 1wbl s LYS 148 N -3.97 0.88 -0.15 4.72 2.47 -1.25 -4.99 119.74 117.45 1wbl s LYS 148 Ca -0.08 -1.14 -0.08 0.00 -1.56 0.00 0.00 55.97 53.12 1wbl s LYS 148 Cb 0.11 -0.66 0.06 0.00 -1.46 0.00 0.00 37.83 35.87 1wbl s LYS 148 CO 0.86 0.12 0.35 0.99 0.16 0.00 0.00 175.35 177.83 1wbl s THR 149 N -2.16 -0.11 -0.10 3.43 2.01 -1.26 -2.05 115.64 115.40 1wbl s THR 149 Ca 0.05 0.13 0.00 0.00 0.31 0.00 0.00 61.69 62.18 1wbl s THR 149 Cb -0.05 -0.54 0.02 0.00 0.01 0.00 0.00 72.50 71.95 1wbl s THR 149 CO 0.01 0.05 -0.09 0.54 -0.69 0.00 0.00 174.62 174.44 1wbl s VAL 150 N 1.54 1.07 0.30 3.82 0.11 -0.53 -4.99 120.40 121.71 1wbl s VAL 150 Ca -0.08 -0.35 -0.25 0.00 -2.93 0.00 0.00 61.98 58.37 1wbl s VAL 150 Cb -0.10 -1.05 -0.10 0.00 -1.53 0.00 0.00 36.38 33.61 1wbl s VAL 150 CO -0.11 0.37 0.90 -2.16 -3.33 0.00 0.00 175.10 170.77 1wbl s PRO 151 N 1.42 4.54 0.25 1.54 0.04 -1.26 0.90 135.00 142.42 1wbl s PRO 151 Ca -0.00 1.25 0.01 0.00 0.04 0.00 0.00 61.00 62.30 1wbl s PRO 151 Cb -0.13 -2.84 -0.04 0.00 0.04 0.00 0.00 34.50 31.52 1wbl s PRO 151 CO -0.05 0.31 0.12 -0.59 0.04 0.00 0.00 177.00 176.84 1wbl s PHE 152 N -1.58 1.42 -0.22 0.56 -0.71 -0.86 -4.89 117.98 111.71 1wbl s PHE 152 Ca 0.48 -1.30 -0.03 0.00 -1.04 0.00 0.00 56.93 55.04 1wbl s PHE 152 Cb -0.19 -0.77 -0.01 0.00 -1.21 0.00 0.00 43.02 40.85 1wbl s PHE 152 CO 0.24 -0.49 -0.05 0.99 -1.34 0.00 0.00 175.22 174.56 1wbl s THR 153 N -3.86 3.28 0.26 -4.49 2.01 -1.26 -3.84 115.64 107.74 1wbl s THR 153 Ca 0.38 -0.52 -0.30 0.00 0.31 0.00 0.00 61.69 61.56 1wbl s THR 153 Cb 0.07 -2.48 -0.09 0.00 0.01 0.00 0.00 72.50 70.00 1wbl s THR 153 CO 0.14 0.43 1.05 -0.22 -0.69 0.00 0.00 174.62 175.34 1wbl s LEU 154 N 1.45 4.58 -1.00 4.42 2.96 -1.26 -4.97 118.68 124.85 1wbl s LEU 154 Ca 0.06 2.17 -0.17 0.00 -0.22 0.00 0.00 54.13 55.97 1wbl s LEU 154 Cb -0.14 -3.62 0.15 0.00 0.50 0.00 0.00 46.19 43.08 1wbl s LEU 154 CO -0.04 -0.06 1.19 -0.62 -1.32 0.00 0.00 176.35 175.51 1wbl s ASP 155 N -0.93 6.77 -0.44 3.68 2.15 -1.26 -4.95 116.67 121.69 1wbl s ASP 155 Ca 0.44 -2.36 -0.40 0.00 0.43 0.00 0.00 52.55 50.65 1wbl s ASP 155 Cb -0.30 -2.39 -0.16 0.00 -0.30 0.00 0.00 42.92 39.78 1wbl s ASP 155 CO 0.38 -0.94 2.17 -3.20 -0.17 0.00 0.00 175.17 173.41 1wbl n ASN 156 N 6.11 1.37 0.00 -0.34 2.85 -1.26 0.94 115.26 124.94 1wbl n ASN 156 Ca 0.27 0.55 0.00 0.00 -0.11 0.00 0.00 54.58 55.29 1wbl n ASN 156 Cb 0.47 -1.07 0.00 0.00 1.24 0.00 0.00 39.78 40.42 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 7.05 2.92 3.52 8.20 0.00 -0.80 -4.93 105.19 121.15 1wbl n GLY 157 Ca 0.49 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.97 1.53 -0.05 -0.02 0.00 0.27 -4.71 107.32 103.38 1wbl s GLY 158 Ca 0.00 -0.40 -0.10 0.00 0.00 0.00 0.00 44.72 44.22 1wbl s GLY 158 CO 0.00 0.36 0.27 -0.42 0.00 0.00 0.00 173.10 173.31 1wbl s ILE 159 N -2.62 5.29 0.01 0.90 1.01 -1.26 -4.29 121.20 120.23 1wbl s ILE 159 Ca 0.68 0.43 0.08 0.00 0.00 0.00 0.00 60.65 61.84 1wbl s ILE 159 Cb -0.20 -3.55 -0.02 0.00 0.01 0.00 0.00 42.46 38.70 1wbl s ILE 159 CO 0.61 0.55 -0.26 0.00 0.00 0.00 0.00 174.94 175.84 1wbl s ALA 160 N -1.11 2.17 -0.13 9.38 0.00 -0.30 -4.20 121.76 127.56 1wbl s ALA 160 Ca 0.21 -1.17 -0.02 0.00 0.00 0.00 0.00 51.96 50.98 1wbl s ALA 160 Cb -0.14 -0.51 -0.02 0.00 0.00 0.00 0.00 23.12 22.45 1wbl s ALA 160 CO 0.10 0.52 -0.07 -0.80 0.00 0.00 0.00 175.76 175.51 1wbl s ASN 161 N -0.88 4.53 -0.02 0.00 0.01 0.38 -1.80 114.94 117.17 1wbl s ASN 161 Ca 0.11 -0.17 0.04 0.00 -0.71 0.00 0.00 52.86 52.13 1wbl s ASN 161 Cb -0.10 -1.60 -0.01 0.00 0.41 0.00 0.00 41.25 39.95 1wbl s ASN 161 CO 0.00 0.21 -0.14 -0.69 -1.51 0.00 0.00 177.10 174.98 1wbl s VAL 162 N 0.11 1.10 -0.11 1.60 1.01 -0.47 -0.66 120.40 122.98 1wbl s VAL 162 Ca -0.03 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.38 1wbl s VAL 162 Cb -0.14 -0.93 0.02 0.00 0.00 0.00 0.00 36.38 35.33 1wbl s VAL 162 CO 0.03 0.32 -0.13 -0.69 0.00 0.00 0.00 175.10 174.63 1wbl s VAL 163 N -0.21 1.35 -0.23 2.92 1.01 -0.92 -2.31 120.40 122.02 1wbl s VAL 163 Ca 0.03 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.49 1wbl s VAL 163 Cb -0.07 -1.27 0.06 0.00 0.00 0.00 0.00 36.38 35.10 1wbl s VAL 163 CO -0.00 0.41 -0.08 -0.63 0.00 0.00 0.00 175.10 174.80 1wbl s ILE 164 N 1.20 1.73 -0.07 2.22 1.01 0.33 -1.05 121.20 126.56 1wbl s ILE 164 Ca -0.03 -1.28 0.03 0.00 0.00 0.00 0.00 60.65 59.38 1wbl s ILE 164 Cb -0.14 -1.90 -0.02 0.00 0.01 0.00 0.00 42.46 40.41 1wbl s ILE 164 CO -0.04 -0.01 -0.17 -0.75 0.00 0.00 0.00 174.94 173.96 1wbl s LYS 165 N 1.32 2.76 -0.16 2.79 2.20 -0.02 -0.42 119.74 128.21 1wbl s LYS 165 Ca -0.06 -0.75 0.00 0.00 -0.36 0.00 0.00 55.97 54.80 1wbl s LYS 165 Cb -0.18 -2.39 0.04 0.00 -1.51 0.00 0.00 37.83 33.78 1wbl s LYS 165 CO -0.06 0.44 -0.08 -0.47 -0.36 0.00 0.00 175.35 174.81 1wbl s TYR 166 N -0.26 1.93 -0.29 4.03 5.04 0.56 -0.86 117.35 127.50 1wbl s TYR 166 Ca 0.01 -1.18 -0.10 0.00 -2.44 0.00 0.00 57.07 53.36 1wbl s TYR 166 Cb -0.13 -1.43 -0.03 0.00 0.35 0.00 0.00 41.96 40.71 1wbl s TYR 166 CO 0.03 -0.64 0.16 -0.51 -1.34 0.00 0.00 175.55 173.25 1wbl s ASP 167 N 1.56 5.74 0.47 4.32 1.01 -0.70 -2.20 116.67 126.86 1wbl s ASP 167 Ca 0.02 -0.20 0.17 0.00 0.71 0.00 0.00 52.55 53.25 1wbl s ASP 167 Cb -0.15 -2.06 1.13 0.00 1.01 0.00 0.00 42.92 42.86 1wbl s ASP 167 CO -0.08 -0.10 2.03 0.00 0.21 0.00 0.00 175.17 177.23 1wbl h ALA 168 N 8.35 1.68 -0.01 5.23 0.00 -1.88 0.30 119.26 132.93 1wbl h ALA 168 Ca -0.35 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 1wbl h ALA 168 Cb 1.17 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1wbl h ALA 168 CO 0.58 0.18 -0.04 0.66 0.00 0.00 0.00 179.25 180.63 1wbl h SER 169 N 0.00 0.06 1.46 0.00 4.64 -1.94 -3.27 113.55 114.50 1wbl h SER 169 Ca -0.00 -0.60 -0.01 0.00 -0.47 0.00 0.00 61.79 60.71 1wbl h SER 169 Cb 0.27 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1wbl h SER 169 CO 0.02 0.65 -0.54 0.71 -0.87 0.00 0.00 176.83 176.80 1wbl h THR 170 N -0.53 0.04 -1.78 2.95 1.35 -2.00 -3.47 112.91 109.46 1wbl h THR 170 Ca -0.00 -1.06 -0.19 0.00 -0.55 0.00 0.00 66.41 64.60 1wbl h THR 170 Cb 0.65 1.77 0.01 0.00 -1.73 0.00 0.00 68.15 68.84 1wbl h THR 170 CO 0.01 0.02 -0.27 0.29 -0.25 0.00 0.00 175.52 175.32 1wbl n LYS 171 N -2.89 -1.38 -3.76 4.72 5.02 0.08 -4.92 118.16 115.02 1wbl n LYS 171 Ca 0.02 0.46 -0.36 0.00 -2.02 0.00 0.00 58.31 56.41 1wbl n LYS 171 Cb 0.55 -4.44 -0.07 0.00 -0.02 0.00 0.00 35.03 31.05 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 -2.62 5.43 -0.32 -0.18 1.01 -1.10 -0.68 121.20 122.73 1wbl s ILE 172 Ca 0.06 0.21 -0.05 0.00 0.00 0.00 0.00 60.65 60.86 1wbl s ILE 172 Cb -0.02 -3.46 0.04 0.00 0.01 0.00 0.00 42.46 39.03 1wbl s ILE 172 CO 0.07 0.48 0.07 -0.22 0.00 0.00 0.00 174.94 175.34 1wbl s LEU 173 N 0.01 4.14 -0.08 2.97 2.96 0.04 -1.72 118.68 127.00 1wbl s LEU 173 Ca 0.10 -1.13 0.04 0.00 -0.22 0.00 0.00 54.13 52.92 1wbl s LEU 173 Cb -0.11 -1.82 0.00 0.00 0.50 0.00 0.00 46.19 44.75 1wbl s LEU 173 CO -0.00 -0.29 -0.21 -1.38 -1.32 0.00 0.00 176.35 173.14 1wbl s HIS 174 N 1.37 2.24 0.18 5.38 -3.43 -0.04 -1.71 115.29 119.27 1wbl s HIS 174 Ca -0.02 -0.83 0.11 0.00 -0.80 0.00 0.00 55.06 53.52 1wbl s HIS 174 Cb -0.19 -1.51 -0.04 0.00 -1.43 0.00 0.00 32.58 29.40 1wbl s HIS 174 CO 0.02 -0.33 -0.24 0.14 -2.00 0.00 0.00 174.74 172.32 1wbl s VAL 175 N 0.27 2.31 0.00 -5.38 -7.23 0.26 -0.84 120.40 109.80 1wbl s VAL 175 Ca -0.14 -1.97 0.02 0.00 -1.81 0.00 0.00 61.98 58.08 1wbl s VAL 175 Cb -0.16 -2.09 -0.01 0.00 0.56 0.00 0.00 36.38 34.68 1wbl s VAL 175 CO 0.06 -0.08 -0.06 -0.69 -0.31 0.00 0.00 175.10 174.02 1wbl s VAL 176 N -1.55 0.47 -0.16 1.32 1.01 -0.22 -1.90 120.40 119.37 1wbl s VAL 176 Ca 0.19 -0.40 -0.00 0.00 0.00 0.00 0.00 61.98 61.77 1wbl s VAL 176 Cb -0.08 -0.42 0.04 0.00 0.00 0.00 0.00 36.38 35.91 1wbl s VAL 176 CO 0.09 0.03 -0.07 -0.22 0.00 0.00 0.00 175.10 174.93 1wbl s LEU 177 N -0.40 1.60 -0.06 3.92 2.96 -0.11 -2.15 118.68 124.43 1wbl s LEU 177 Ca -0.00 -0.60 0.04 0.00 -0.22 0.00 0.00 54.13 53.35 1wbl s LEU 177 Cb -0.04 -0.95 -0.02 0.00 0.50 0.00 0.00 46.19 45.68 1wbl s LEU 177 CO -0.00 -0.16 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.00 1wbl s VAL 178 N 1.61 2.73 -0.67 1.68 1.01 0.16 -1.13 120.40 125.80 1wbl s VAL 178 Ca 0.02 -0.83 -0.00 0.00 0.00 0.00 0.00 61.98 61.17 1wbl s VAL 178 Cb -0.15 -2.06 0.17 0.00 0.00 0.00 0.00 36.38 34.34 1wbl s VAL 178 CO -0.08 0.57 0.48 -0.36 0.00 0.00 0.00 175.10 175.71 1wbl s PHE 179 N -0.43 3.47 0.15 5.22 0.08 -0.55 -0.47 117.98 125.46 1wbl s PHE 179 Ca 0.05 -2.97 -0.29 0.00 0.12 0.00 0.00 56.93 53.84 1wbl s PHE 179 Cb -0.12 -3.06 -0.07 0.00 -0.57 0.00 0.00 43.02 39.21 1wbl s PHE 179 CO 0.02 -0.76 1.51 -1.00 -0.10 0.00 0.00 175.22 174.89 1wbl h PRO 180 N 6.47 -0.01 -1.04 0.24 0.13 -1.84 0.61 132.00 136.55 1wbl h PRO 180 Ca 0.03 0.00 0.27 0.00 -0.87 0.00 0.00 66.00 65.43 1wbl h PRO 180 Cb 0.88 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.93 1wbl h PRO 180 CO 0.74 -0.00 0.68 0.77 -0.23 0.00 0.00 178.00 179.95 1wbl h SER 181 N -0.01 0.40 0.85 1.44 0.02 -1.95 0.19 113.55 114.50 1wbl h SER 181 Ca 0.15 0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 61.12 1wbl h SER 181 Cb 0.39 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 1wbl h SER 181 CO -0.88 0.08 -1.19 0.18 -1.14 0.00 0.00 176.83 173.89 1wbl n LEU 182 N -4.58 0.81 -0.20 5.07 4.77 -0.12 -4.96 117.00 117.78 1wbl n LEU 182 Ca 0.25 0.33 -0.03 0.00 -0.03 0.00 0.00 56.01 56.53 1wbl n LEU 182 Cb 0.90 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.97 1wbl n LEU 182 CO 0.27 -0.07 -0.03 0.61 -1.33 0.00 0.00 177.39 176.84 1wbl n GLY 183 N 1.25 0.54 3.79 -0.72 0.00 0.19 -5.00 105.19 105.25 1wbl n GLY 183 Ca -0.03 -0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.86 4.48 -0.07 2.61 -4.23 -1.18 -4.92 115.64 110.47 1wbl s THR 184 Ca 0.00 1.56 0.03 0.00 -1.18 0.00 0.00 61.69 62.10 1wbl s THR 184 Cb 0.00 -4.07 0.01 0.00 1.34 0.00 0.00 72.50 69.78 1wbl s THR 184 CO 0.00 0.53 -0.17 -0.63 -0.54 0.00 0.00 174.62 173.82 1wbl s ILE 185 N -1.14 1.47 0.02 2.99 1.01 -1.26 -1.49 121.20 122.80 1wbl s ILE 185 Ca 0.34 -0.69 0.05 0.00 0.00 0.00 0.00 60.65 60.35 1wbl s ILE 185 Cb -0.22 -1.29 -0.02 0.00 0.01 0.00 0.00 42.46 40.94 1wbl s ILE 185 CO 0.24 0.43 -0.16 -0.31 0.00 0.00 0.00 174.94 175.14 1wbl s TYR 186 N 0.42 1.43 -0.02 3.97 2.02 -0.29 -4.98 117.35 119.90 1wbl s TYR 186 Ca -0.13 -0.32 0.01 0.00 -0.37 0.00 0.00 57.07 56.25 1wbl s TYR 186 Cb -0.15 -0.87 0.01 0.00 -0.40 0.00 0.00 41.96 40.54 1wbl s TYR 186 CO 0.05 0.03 -0.03 -0.08 -1.57 0.00 0.00 175.55 173.95 1wbl s THR 187 N -0.66 0.29 -0.07 -0.71 -1.32 -1.26 -0.93 115.64 110.97 1wbl s THR 187 Ca 0.05 -0.08 -0.06 0.00 -1.21 0.00 0.00 61.69 60.38 1wbl s THR 187 Cb -0.07 -0.29 0.02 0.00 -1.51 0.00 0.00 72.50 70.65 1wbl s THR 187 CO 0.01 0.12 0.19 -0.51 -2.21 0.00 0.00 174.62 172.22 1wbl s ILE 188 N 0.35 -0.01 0.11 5.08 2.07 -0.80 -4.96 121.20 123.04 1wbl s ILE 188 Ca -0.03 0.02 -0.07 0.00 -1.41 0.00 0.00 60.65 59.16 1wbl s ILE 188 Cb -0.07 -0.28 -0.01 0.00 0.13 0.00 0.00 42.46 42.23 1wbl s ILE 188 CO -0.01 0.01 0.18 0.00 -1.91 0.00 0.00 174.94 173.22 1wbl s ALA 189 N 0.27 -0.02 -0.05 1.50 0.00 -1.26 -0.58 121.76 121.62 1wbl s ALA 189 Ca -0.01 -0.80 -0.31 0.00 0.00 0.00 0.00 51.96 50.83 1wbl s ALA 189 Cb -0.03 0.59 0.11 0.00 0.00 0.00 0.00 23.12 23.79 1wbl s ALA 189 CO -0.01 -0.53 1.06 0.34 0.00 0.00 0.00 175.76 176.62 1wbl s ASP 190 N -2.91 -0.22 -0.09 0.00 2.15 -0.70 -4.99 116.67 109.92 1wbl s ASP 190 Ca 0.10 -0.07 -0.16 0.00 0.43 0.00 0.00 52.55 52.84 1wbl s ASP 190 Cb 0.05 0.28 -0.05 0.00 -0.30 0.00 0.00 42.92 42.91 1wbl s ASP 190 CO -0.07 -0.48 0.43 -0.63 -0.17 0.00 0.00 175.17 174.25 1wbl s ILE 191 N -2.80 5.15 -0.10 4.11 1.09 -1.26 -0.78 121.20 126.60 1wbl s ILE 191 Ca 0.09 0.86 -0.05 0.00 -1.10 0.00 0.00 60.65 60.45 1wbl s ILE 191 Cb -0.00 -3.76 0.05 0.00 -1.06 0.00 0.00 42.46 37.69 1wbl s ILE 191 CO -0.05 0.42 0.23 -0.69 -0.10 0.00 0.00 174.94 174.74 1wbl s VAL 192 N 0.06 -0.16 -0.53 2.92 1.01 0.14 -4.95 120.40 118.89 1wbl s VAL 192 Ca 0.24 0.21 -0.16 0.00 0.00 0.00 0.00 61.98 62.26 1wbl s VAL 192 Cb -0.15 -0.37 0.11 0.00 0.00 0.00 0.00 36.38 35.97 1wbl s VAL 192 CO 0.10 0.09 0.50 -0.62 0.00 0.00 0.00 175.10 175.16 1wbl s ASP 193 N 1.64 6.18 0.15 3.32 2.15 -1.26 -4.68 116.67 124.17 1wbl s ASP 193 Ca -0.05 -1.63 -0.17 0.00 0.43 0.00 0.00 52.55 51.12 1wbl s ASP 193 Cb -0.11 -2.21 0.03 0.00 -0.30 0.00 0.00 42.92 40.32 1wbl s ASP 193 CO -0.08 -0.83 1.75 -0.07 -0.17 0.00 0.00 175.17 175.77 1wbl h LEU 194 N 8.97 0.12 -1.32 -1.34 3.38 -1.96 -1.83 115.31 121.32 1wbl h LEU 194 Ca -0.30 0.03 0.30 0.00 0.09 0.00 0.00 57.88 58.01 1wbl h LEU 194 Cb 1.10 0.02 -0.11 0.00 0.09 0.00 0.00 40.66 41.77 1wbl h LEU 194 CO 1.01 0.10 0.69 0.50 0.09 0.00 0.00 178.44 180.83 1wbl h LYS 195 N 0.24 0.33 0.00 1.13 3.64 -1.92 0.25 116.57 120.24 1wbl h LYS 195 Ca 0.14 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1wbl h LYS 195 Cb 0.11 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1wbl h LYS 195 CO -0.15 0.22 0.00 0.37 -2.27 0.00 0.00 179.45 177.62 1wbl h GLN 196 N 0.34 0.00 0.00 1.90 5.75 -1.75 -3.39 115.11 117.95 1wbl h GLN 196 Ca 0.65 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 59.15 1wbl h GLN 196 Cb 1.72 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.27 1wbl h GLN 196 CO -0.35 0.00 -0.69 1.33 -2.65 0.00 0.00 178.83 176.46 1wbl n VAL 197 N -2.82 0.00 -4.32 2.39 0.24 0.57 -5.09 118.33 109.31 1wbl n VAL 197 Ca 0.04 -0.05 -0.24 0.00 -2.04 0.00 0.00 64.34 62.05 1wbl n VAL 197 Cb 0.49 0.48 -0.12 0.00 -1.47 0.00 0.00 33.84 33.22 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 -2.29 2.35 0.98 1.34 1.43 0.54 -4.64 118.68 118.39 1wbl s LEU 198 Ca 0.00 -0.76 -0.12 0.00 -1.03 0.00 0.00 54.13 52.22 1wbl s LEU 198 Cb 0.00 -0.91 0.18 0.00 0.03 0.00 0.00 46.19 45.48 1wbl s LEU 198 CO 0.00 0.04 1.10 -2.16 0.23 0.00 0.00 176.35 175.56 1wbl s PRO 199 N -2.25 0.61 0.24 1.29 0.04 -1.26 -4.66 135.00 129.02 1wbl s PRO 199 Ca 0.11 0.52 -0.05 0.00 0.04 0.00 0.00 61.00 61.62 1wbl s PRO 199 Cb -0.09 -1.76 0.35 0.00 0.04 0.00 0.00 34.50 33.05 1wbl s PRO 199 CO 0.05 -2.61 1.84 0.93 0.04 0.00 0.00 177.00 177.26 1wbl h GLU 200 N -1.81 0.91 -5.32 4.56 5.08 -1.95 -3.40 114.58 112.65 1wbl h GLU 200 Ca -0.53 -0.05 -0.63 0.00 -1.00 0.00 0.00 59.36 57.14 1wbl h GLU 200 Cb 1.32 -0.20 -0.19 0.00 0.50 0.00 0.00 28.75 30.18 1wbl h GLU 200 CO 0.58 0.60 -0.62 -1.12 -1.00 0.00 0.00 179.01 177.44 1wbl s SER 201 N -5.74 5.15 0.35 1.42 0.01 -1.26 0.46 113.70 114.09 1wbl s SER 201 Ca -0.13 -0.03 0.04 0.00 1.31 0.00 0.00 55.95 57.14 1wbl s SER 201 Cb 0.19 -1.84 -0.04 0.00 0.21 0.00 0.00 66.02 64.54 1wbl s SER 201 CO 0.79 0.18 0.13 0.68 0.41 0.00 0.00 173.24 175.43 1wbl s VAL 202 N 0.30 0.57 -0.02 3.43 -7.23 0.18 -4.12 120.40 113.51 1wbl s VAL 202 Ca -0.01 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.23 1wbl s VAL 202 Cb -0.13 -2.50 -0.02 0.00 0.56 0.00 0.00 36.38 34.29 1wbl s VAL 202 CO 0.02 0.00 -0.22 0.20 -0.31 0.00 0.00 175.10 174.78 1wbl s ASN 203 N -3.48 3.37 -0.03 4.85 0.02 0.35 -0.65 114.94 119.37 1wbl s ASN 203 Ca 0.31 -0.41 0.06 0.00 -1.02 0.00 0.00 52.86 51.80 1wbl s ASN 203 Cb 0.05 -0.48 -0.02 0.00 0.02 0.00 0.00 41.25 40.81 1wbl s ASN 203 CO 0.16 0.31 -0.19 0.68 0.02 0.00 0.00 177.10 178.09 1wbl s VAL 204 N -0.69 2.68 0.00 1.60 -7.23 -1.26 -2.04 120.40 113.46 1wbl s VAL 204 Ca 0.11 -0.93 0.00 0.00 -1.81 0.00 0.00 61.98 59.35 1wbl s VAL 204 Cb -0.10 -2.02 0.00 0.00 0.56 0.00 0.00 36.38 34.81 1wbl s VAL 204 CO 0.00 0.55 0.00 0.61 -0.31 0.00 0.00 175.10 175.95 1wbl n GLY 205 N 2.23 0.72 3.36 2.32 0.00 -0.99 -1.60 105.19 111.24 1wbl n GLY 205 Ca -0.17 -0.65 -0.19 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.12 1.71 -0.12 1.61 0.40 -0.20 -1.45 117.98 117.82 1wbl s PHE 206 Ca 0.00 -0.74 -0.27 0.00 -0.60 0.00 0.00 56.93 55.32 1wbl s PHE 206 Cb 0.00 -0.93 0.06 0.00 0.51 0.00 0.00 43.02 42.66 1wbl s PHE 206 CO 0.00 0.18 0.64 0.45 0.70 0.00 0.00 175.22 177.20 1wbl s SER 207 N -3.35 -0.63 0.27 1.36 0.15 -0.78 -1.24 113.70 109.48 1wbl s SER 207 Ca 0.26 0.88 -0.14 0.00 0.70 0.00 0.00 55.95 57.65 1wbl s SER 207 Cb 0.03 0.80 0.01 0.00 -1.71 0.00 0.00 66.02 65.15 1wbl s SER 207 CO 0.09 -0.47 0.55 0.00 1.20 0.00 0.00 173.24 174.61 1wbl s ALA 208 N -0.68 -0.45 0.16 5.45 0.00 -0.87 -0.23 121.76 125.14 1wbl s ALA 208 Ca -0.07 -0.77 -0.20 0.00 0.00 0.00 0.00 51.96 50.91 1wbl s ALA 208 Cb -0.02 1.00 0.05 0.00 0.00 0.00 0.00 23.12 24.15 1wbl s ALA 208 CO 0.06 -0.90 0.54 0.00 0.00 0.00 0.00 175.76 175.46 1wbl s ALA 209 N -3.85 -1.32 0.43 0.00 0.00 -0.89 -2.41 121.76 113.73 1wbl s ALA 209 Ca 0.20 0.21 0.02 0.00 0.00 0.00 0.00 51.96 52.39 1wbl s ALA 209 Cb -0.02 0.83 0.02 0.00 0.00 0.00 0.00 23.12 23.95 1wbl s ALA 209 CO 0.09 -0.75 0.19 0.25 0.00 0.00 0.00 175.76 175.54 1wbl n THR 210 N -0.34 0.00 -1.55 0.00 -2.24 0.15 -0.94 114.28 109.37 1wbl n THR 210 Ca -0.15 -1.84 -0.43 0.00 -2.27 0.00 0.00 64.05 59.36 1wbl n THR 210 Cb 0.64 0.09 -0.00 0.00 -2.10 0.00 0.00 70.33 68.96 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 -0.17 -0.62 3.81 3.38 0.00 0.36 -3.82 105.19 108.13 1wbl n GLY 211 Ca -0.08 0.21 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.73 7.09 0.38 1.61 2.15 -1.26 0.62 116.67 126.53 1wbl s ASP 212 Ca 0.61 1.35 0.13 0.00 0.43 0.00 0.00 52.55 55.07 1wbl s ASP 212 Cb -0.65 -2.39 0.95 0.00 -0.30 0.00 0.00 42.92 40.52 1wbl s ASP 212 CO 0.58 0.16 1.84 -0.65 -0.17 0.00 0.00 175.17 176.94 1wbl h PRO 213 N 4.01 0.54 0.00 4.34 0.11 -1.93 0.27 132.00 139.34 1wbl h PRO 213 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1wbl h PRO 213 Cb 1.20 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1wbl h PRO 213 CO 0.65 0.35 0.00 -1.13 -0.21 0.00 0.00 178.00 177.66 1wbl n SER 214 N -4.57 0.38 -4.22 -2.05 3.41 -1.26 -3.51 113.62 101.79 1wbl n SER 214 Ca 0.20 0.68 -0.42 0.00 -0.26 0.00 0.00 58.87 59.07 1wbl n SER 214 Cb 0.61 -0.73 -0.08 0.00 -0.26 0.00 0.00 64.21 63.76 1wbl n SER 214 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wbl s GLY 215 N -3.37 2.10 0.00 5.00 0.00 0.96 -4.95 107.32 107.05 1wbl s GLY 215 Ca -0.02 -2.61 0.00 0.00 0.00 0.00 0.00 44.72 42.09 1wbl s GLY 215 CO 0.14 1.13 0.44 0.28 0.00 0.00 0.00 173.10 175.08 1wbl n LYS 216 N 4.84 0.00 -3.02 2.90 5.02 -1.23 -4.53 118.16 122.14 1wbl n LYS 216 Ca -0.07 0.09 -0.41 0.00 -2.02 0.00 0.00 58.31 55.90 1wbl n LYS 216 Cb 0.41 -1.67 -0.06 0.00 -0.02 0.00 0.00 35.03 33.70 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 -1.88 3.95 0.39 1.97 -1.52 -1.26 -4.88 119.66 116.43 1wbl s GLN 217 Ca 0.00 0.48 0.21 0.00 -1.95 0.00 0.00 55.36 54.10 1wbl s GLN 217 Cb 0.00 -3.72 0.54 0.00 -0.22 0.00 0.00 33.01 29.60 1wbl s GLN 217 CO 0.00 -0.62 1.66 -0.09 -0.25 0.00 0.00 175.29 175.99 1wbl h ARG 218 N 8.12 0.00 -0.05 2.91 2.43 -1.96 -2.88 114.38 122.95 1wbl h ARG 218 Ca -0.25 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 1wbl h ARG 218 Cb 1.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 1wbl h ARG 218 CO 0.84 0.27 0.00 0.09 -1.51 0.00 0.00 179.97 179.67 1wbl n ASN 219 N -3.26 0.35 -4.45 -3.80 4.13 -1.26 -4.49 115.26 102.48 1wbl n ASN 219 Ca 0.02 -1.78 -0.43 0.00 1.68 0.00 0.00 54.58 54.06 1wbl n ASN 219 Cb 0.55 -0.04 0.00 0.00 -1.54 0.00 0.00 39.78 38.75 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 -0.41 3.90 -3.81 5.41 0.00 -1.09 -4.52 120.51 119.99 1wbl n ALA 220 Ca 0.07 -4.09 -0.05 0.00 0.00 0.00 0.00 53.44 49.37 1wbl n ALA 220 Cb 0.08 -3.28 -0.01 0.00 0.00 0.00 0.00 19.45 16.25 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 2.55 0.00 0.07 0.00 -1.32 -1.25 -0.48 115.64 115.21 1wbl s THR 221 Ca 0.47 -0.80 -0.18 0.00 -1.21 0.00 0.00 61.69 59.97 1wbl s THR 221 Cb 0.01 -2.23 0.06 0.00 -1.51 0.00 0.00 72.50 68.83 1wbl s THR 221 CO 0.03 0.00 0.82 -1.84 -2.21 0.00 0.00 174.62 171.42 1wbl n GLU 222 N -0.51 0.32 -3.67 7.08 0.28 -1.22 -4.16 120.64 118.76 1wbl n GLU 222 Ca -0.05 -0.85 -0.23 0.00 -0.16 0.00 0.00 57.16 55.86 1wbl n GLU 222 Cb 0.60 1.23 -0.02 0.00 1.43 0.00 0.00 31.44 34.68 1wbl n GLU 222 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 1wbl s THR 223 N -2.14 5.19 -0.43 3.84 -4.23 -0.87 -4.78 115.64 112.22 1wbl s THR 223 Ca 0.19 -0.68 0.06 0.00 -1.18 0.00 0.00 61.69 60.08 1wbl s THR 223 Cb -0.01 -3.84 0.21 0.00 1.34 0.00 0.00 72.50 70.19 1wbl s THR 223 CO 0.02 -0.41 0.52 1.41 -0.54 0.00 0.00 174.62 175.62 1wbl n HIS 224 N -1.48 -1.46 -3.96 3.99 -0.00 -1.26 -4.08 115.22 106.97 1wbl n HIS 224 Ca -0.07 -2.92 -0.37 0.00 -0.00 0.00 0.00 57.72 54.36 1wbl n HIS 224 Cb 0.56 0.40 -0.07 0.00 -0.00 0.00 0.00 29.99 30.88 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 -0.41 6.17 -0.26 0.41 1.01 -0.60 -1.69 116.67 121.31 1wbl s ASP 225 Ca 0.33 0.40 -0.00 0.00 0.71 0.00 0.00 52.55 53.99 1wbl s ASP 225 Cb 0.10 -1.97 0.04 0.00 1.01 0.00 0.00 42.92 42.10 1wbl s ASP 225 CO -0.15 0.40 -0.07 -0.63 0.21 0.00 0.00 175.17 174.92 1wbl s ILE 226 N -0.95 2.67 -0.00 0.77 1.01 0.38 -0.55 121.20 124.53 1wbl s ILE 226 Ca 0.14 -1.24 -0.19 0.00 0.00 0.00 0.00 60.65 59.36 1wbl s ILE 226 Cb -0.12 -2.43 -0.27 0.00 0.01 0.00 0.00 42.46 39.65 1wbl s ILE 226 CO 0.03 0.11 1.03 -0.07 0.00 0.00 0.00 174.94 176.05 1wbl h LEU 227 N 7.95 0.59 -7.53 2.97 -0.00 -1.28 -2.30 115.31 115.71 1wbl h LEU 227 Ca -0.28 -0.84 -0.07 0.00 -0.00 0.00 0.00 57.88 56.69 1wbl h LEU 227 Cb 1.08 -0.19 -0.14 0.00 -0.00 0.00 0.00 40.66 41.42 1wbl h LEU 227 CO 0.54 1.37 -0.18 -0.94 -0.00 0.00 0.00 178.44 179.23 1wbl s SER 228 N -6.98 -0.12 -0.29 -0.43 1.04 -1.24 -4.18 113.70 101.51 1wbl s SER 228 Ca -0.12 -0.38 -0.14 0.00 0.48 0.00 0.00 55.95 55.79 1wbl s SER 228 Cb 0.03 0.42 0.12 0.00 0.10 0.00 0.00 66.02 66.69 1wbl s SER 228 CO 0.85 -0.77 0.76 0.86 0.98 0.00 0.00 173.24 175.92 1wbl s TRP 229 N -3.57 -1.03 0.30 5.02 -0.00 -0.47 -1.38 118.94 117.80 1wbl s TRP 229 Ca 0.02 1.91 0.09 0.00 -0.00 0.00 0.00 56.10 58.13 1wbl s TRP 229 Cb 0.02 0.62 -0.06 0.00 -0.00 0.00 0.00 33.47 34.05 1wbl s TRP 229 CO -0.10 -0.51 -0.12 -1.54 -0.00 0.00 0.00 176.95 174.68 1wbl s SER 230 N 2.14 3.38 -0.26 5.86 1.04 0.95 -0.57 113.70 126.24 1wbl s SER 230 Ca -0.07 -1.13 -0.22 0.00 0.48 0.00 0.00 55.95 55.00 1wbl s SER 230 Cb -0.07 -0.28 0.07 0.00 0.10 0.00 0.00 66.02 65.84 1wbl s SER 230 CO -0.18 -0.16 0.68 0.12 0.98 0.00 0.00 173.24 174.67 1wbl s PHE 231 N -2.70 -0.82 -0.02 5.02 2.19 -0.20 -2.26 117.98 119.19 1wbl s PHE 231 Ca 0.30 1.89 -0.02 0.00 0.33 0.00 0.00 56.93 59.43 1wbl s PHE 231 Cb 0.00 0.34 0.01 0.00 -1.31 0.00 0.00 43.02 42.06 1wbl s PHE 231 CO 0.14 -0.40 0.06 0.45 1.83 0.00 0.00 175.22 177.30 1wbl s SER 232 N 0.66 -0.05 -0.07 6.13 0.15 -0.25 -1.24 113.70 119.02 1wbl s SER 232 Ca -0.02 0.12 -0.08 0.00 0.70 0.00 0.00 55.95 56.66 1wbl s SER 232 Cb -0.05 0.11 0.02 0.00 -1.71 0.00 0.00 66.02 64.39 1wbl s SER 232 CO -0.04 -0.03 0.22 0.00 1.20 0.00 0.00 173.24 174.59 1wbl s ALA 233 N 0.14 -0.55 -0.05 5.45 0.00 0.44 -0.73 121.76 126.46 1wbl s ALA 233 Ca -0.01 0.52 0.02 0.00 0.00 0.00 0.00 51.96 52.50 1wbl s ALA 233 Cb -0.02 -0.28 0.01 0.00 0.00 0.00 0.00 23.12 22.83 1wbl s ALA 233 CO -0.00 -0.13 -0.10 -1.12 0.00 0.00 0.00 175.76 174.40 1wbl s SER 234 N -0.16 1.47 -0.30 0.00 0.01 -0.16 -0.74 113.70 113.81 1wbl s SER 234 Ca -0.03 -0.24 0.02 0.00 1.31 0.00 0.00 55.95 57.02 1wbl s SER 234 Cb -0.03 -0.57 0.07 0.00 0.21 0.00 0.00 66.02 65.70 1wbl s SER 234 CO 0.01 0.04 -0.02 -0.22 0.41 0.00 0.00 173.24 173.45 1wbl s LEU 235 N 0.50 4.03 0.43 2.44 0.20 0.15 -2.07 118.68 124.37 1wbl s LEU 235 Ca -0.10 -1.64 0.10 0.00 0.69 0.00 0.00 54.13 53.19 1wbl s LEU 235 Cb -0.13 -1.62 0.96 0.00 -0.43 0.00 0.00 46.19 44.97 1wbl s LEU 235 CO 0.02 -0.28 2.04 1.55 -0.29 0.00 0.00 176.35 179.38 1wbl h PRO 236 N 7.79 0.44 -0.03 0.98 0.13 -1.84 0.39 132.00 139.86 1wbl h PRO 236 Ca -0.15 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1wbl h PRO 236 Cb 1.04 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1wbl h PRO 236 CO 0.51 0.29 0.00 0.41 -0.23 0.00 0.00 178.00 178.98