#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 3.29 -0.02 0.58 2.01 -1.26 -0.40 115.64 119.83 1wbl s THR 2 Ca 0.00 -0.77 0.03 0.00 0.31 0.00 0.00 61.69 61.26 1wbl s THR 2 Cb 0.00 -2.35 -0.00 0.00 0.01 0.00 0.00 72.50 70.15 1wbl s THR 2 CO 0.00 0.50 -0.11 -0.51 -0.69 0.00 0.00 174.62 173.81 1wbl s ILE 3 N -0.85 0.93 0.06 1.82 2.07 0.59 -4.98 121.20 120.84 1wbl s ILE 3 Ca 0.14 -0.47 -0.12 0.00 -1.41 0.00 0.00 60.65 58.78 1wbl s ILE 3 Cb -0.11 -0.80 0.01 0.00 0.13 0.00 0.00 42.46 41.70 1wbl s ILE 3 CO 0.03 0.27 0.27 -0.94 -1.91 0.00 0.00 174.94 172.67 1wbl s SER 4 N -0.04 -0.06 0.16 4.50 1.04 -1.26 -0.73 113.70 117.30 1wbl s SER 4 Ca 0.00 -0.32 -0.23 0.00 0.48 0.00 0.00 55.95 55.88 1wbl s SER 4 Cb -0.07 0.35 0.07 0.00 0.10 0.00 0.00 66.02 66.47 1wbl s SER 4 CO 0.00 -0.65 0.66 0.72 0.98 0.00 0.00 173.24 174.95 1wbl s PHE 5 N -2.93 -0.45 -0.15 5.02 -0.12 -1.00 -5.03 117.98 113.32 1wbl s PHE 5 Ca -0.02 0.21 -0.24 0.00 -0.05 0.00 0.00 56.93 56.83 1wbl s PHE 5 Cb 0.00 0.58 0.06 0.00 -0.63 0.00 0.00 43.02 43.04 1wbl s PHE 5 CO -0.06 -0.87 0.61 0.54 -0.05 0.00 0.00 175.22 175.39 1wbl s ASN 6 N -2.75 -0.60 -0.19 1.98 2.20 -1.26 -2.44 114.94 111.88 1wbl s ASN 6 Ca 0.03 0.95 -0.02 0.00 -0.94 0.00 0.00 52.86 52.88 1wbl s ASN 6 Cb -0.02 0.93 0.06 0.00 -2.00 0.00 0.00 41.25 40.22 1wbl s ASN 6 CO -0.09 -0.37 0.02 -0.36 -2.94 0.00 0.00 177.10 173.36 1wbl s PHE 7 N -0.35 1.11 -0.60 1.54 0.08 0.51 -4.97 117.98 115.30 1wbl s PHE 7 Ca -0.05 -0.87 0.25 0.00 0.12 0.00 0.00 56.93 56.37 1wbl s PHE 7 Cb -0.03 -1.06 0.58 0.00 -0.57 0.00 0.00 43.02 41.94 1wbl s PHE 7 CO 0.04 -0.60 1.67 -0.91 -0.10 0.00 0.00 175.22 175.32 1wbl h ASN 8 N 8.23 0.00 -4.72 1.36 -0.26 -1.89 -1.38 115.58 116.91 1wbl h ASN 8 Ca -0.17 -0.01 0.16 0.00 -0.56 0.00 0.00 56.30 55.72 1wbl h ASN 8 Cb 1.12 0.00 -0.15 0.00 -1.06 0.00 0.00 38.32 38.23 1wbl h ASN 8 CO 0.34 0.01 0.57 0.00 -1.06 0.00 0.00 177.43 177.28 1wbl s GLN 9 N -3.15 0.76 -0.17 0.81 0.00 -1.26 -4.63 119.66 112.00 1wbl s GLN 9 Ca 0.09 -0.31 -0.07 0.00 -0.00 0.00 0.00 55.36 55.07 1wbl s GLN 9 Cb 0.09 0.33 -0.04 0.00 0.00 0.00 0.00 33.01 33.39 1wbl s GLN 9 CO 0.64 -0.33 0.06 -0.06 0.00 0.00 0.00 175.29 175.59 1wbl s PHE 10 N -2.98 3.26 -0.14 9.60 0.08 -0.69 -5.06 117.98 122.06 1wbl s PHE 10 Ca 0.07 0.10 -0.12 0.00 0.12 0.00 0.00 56.93 57.10 1wbl s PHE 10 Cb -0.01 -2.05 -0.05 0.00 -0.57 0.00 0.00 43.02 40.35 1wbl s PHE 10 CO -0.06 0.21 0.26 -1.01 -0.10 0.00 0.00 175.22 174.51 1wbl s HIS 11 N 0.20 3.52 0.09 0.36 3.76 -1.26 -4.16 115.29 117.80 1wbl s HIS 11 Ca 0.04 0.60 -0.37 0.00 -0.15 0.00 0.00 55.06 55.19 1wbl s HIS 11 Cb -0.12 -2.23 -0.17 0.00 1.11 0.00 0.00 32.58 31.17 1wbl s HIS 11 CO 0.00 0.40 1.33 0.94 -0.85 0.00 0.00 174.74 176.56 1wbl n GLN 12 N 3.02 1.15 -2.45 1.40 7.27 -1.26 -2.87 117.38 123.63 1wbl n GLN 12 Ca -0.14 0.41 -0.08 0.00 0.07 0.00 0.00 57.00 57.26 1wbl n GLN 12 Cb 0.53 -2.05 0.04 0.00 2.41 0.00 0.00 30.24 31.16 1wbl n GLN 12 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1wbl n ASN 13 N 2.50 -4.57 -4.69 1.69 3.02 -1.26 -4.97 115.26 106.97 1wbl n ASN 13 Ca 0.18 -0.38 -0.42 0.00 -0.03 0.00 0.00 54.58 53.93 1wbl n ASN 13 Cb 0.19 -3.09 -0.03 0.00 -0.61 0.00 0.00 39.78 36.24 1wbl n ASN 13 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1wbl s GLU 14 N -3.74 4.32 0.01 3.52 0.41 -1.14 -4.89 118.70 117.20 1wbl s GLU 14 Ca 0.24 1.82 0.26 0.00 -0.41 0.00 0.00 54.97 56.89 1wbl s GLU 14 Cb -0.03 -3.55 1.10 0.00 -1.78 0.00 0.00 34.13 29.87 1wbl s GLU 14 CO 0.41 -0.50 1.84 -1.91 -0.49 0.00 0.00 175.26 174.60 1wbl n GLU 15 N 5.19 0.01 0.00 1.61 0.00 -1.26 -2.74 120.64 123.46 1wbl n GLU 15 Ca 0.12 0.06 0.12 0.00 0.00 0.00 0.00 57.16 57.45 1wbl n GLU 15 Cb 0.45 -1.52 0.16 0.00 0.00 0.00 0.00 31.44 30.53 1wbl n GLU 15 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1wbl n GLN 16 N -1.54 0.01 -4.39 5.31 1.13 -1.26 -4.90 117.38 111.73 1wbl n GLN 16 Ca 0.06 0.00 -0.28 0.00 -1.94 0.00 0.00 57.00 54.84 1wbl n GLN 16 Cb 0.31 -1.50 -0.13 0.00 0.11 0.00 0.00 30.24 29.03 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 -3.02 2.35 -0.35 1.08 1.43 -1.11 -0.68 118.68 118.38 1wbl s LEU 17 Ca 0.10 -0.78 -0.03 0.00 -1.03 0.00 0.00 54.13 52.39 1wbl s LEU 17 Cb 0.17 -1.20 0.07 0.00 0.03 0.00 0.00 46.19 45.27 1wbl s LEU 17 CO 0.74 0.16 0.10 -0.54 0.23 0.00 0.00 176.35 177.05 1wbl s LYS 18 N -2.20 2.30 -0.02 1.70 -0.14 -0.60 -4.82 119.74 115.96 1wbl s LYS 18 Ca 0.15 -1.47 -0.18 0.00 -1.36 0.00 0.00 55.97 53.11 1wbl s LYS 18 Cb -0.09 -3.40 -0.05 0.00 -1.68 0.00 0.00 37.83 32.60 1wbl s LYS 18 CO 0.07 -0.81 0.51 -0.51 -0.76 0.00 0.00 175.35 173.84 1wbl s LEU 19 N 1.24 4.42 0.09 3.17 1.02 -1.26 -1.51 118.68 125.85 1wbl s LEU 19 Ca 0.01 1.03 0.06 0.00 0.02 0.00 0.00 54.13 55.25 1wbl s LEU 19 Cb -0.21 -2.76 -0.03 0.00 0.02 0.00 0.00 46.19 43.20 1wbl s LEU 19 CO -0.02 0.17 -0.15 -1.10 0.02 0.00 0.00 176.35 175.27 1wbl s GLN 20 N -0.39 0.93 5.91 1.70 -0.21 0.26 -4.99 119.66 122.86 1wbl s GLN 20 Ca 0.27 -1.07 0.00 0.00 0.02 0.00 0.00 55.36 54.58 1wbl s GLN 20 Cb -0.17 -0.95 0.00 0.00 1.00 0.00 0.00 33.01 32.88 1wbl s GLN 20 CO 0.15 0.21 0.00 0.54 -2.12 0.00 0.00 175.29 174.06 1wbl n ARG 21 N 1.04 0.00 0.00 2.91 5.12 -1.26 -2.33 116.66 122.13 1wbl n ARG 21 Ca -0.19 0.00 0.11 0.00 -1.93 0.00 0.00 57.85 55.84 1wbl n ARG 21 Cb 0.55 0.00 0.50 0.00 -1.16 0.00 0.00 32.46 32.35 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 3.22 0.00 -4.73 0.55 9.92 -0.71 -4.89 116.55 119.91 1wbl n ASP 22 Ca 0.00 0.35 -0.42 0.00 -0.53 0.00 0.00 54.79 54.19 1wbl n ASP 22 Cb 0.00 -0.44 -0.02 0.00 -0.64 0.00 0.00 41.12 40.02 1wbl n ASP 22 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wbl n ALA 23 N -1.44 2.73 -2.45 2.24 0.00 -0.98 -4.47 120.51 116.14 1wbl n ALA 23 Ca 0.07 0.39 -0.10 0.00 0.00 0.00 0.00 53.44 53.80 1wbl n ALA 23 Cb 0.24 -2.50 -0.09 0.00 0.00 0.00 0.00 19.45 17.10 1wbl n ALA 23 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1wbl s ARG 24 N 0.55 1.12 -0.27 0.00 1.81 0.81 -4.60 118.95 118.37 1wbl s ARG 24 Ca 0.71 -1.37 0.00 0.00 -1.72 0.00 0.00 55.73 53.36 1wbl s ARG 24 Cb -0.50 0.32 0.05 0.00 -0.45 0.00 0.00 34.95 34.36 1wbl s ARG 24 CO 0.38 -0.38 -0.06 0.42 -0.68 0.00 0.00 175.30 174.98 1wbl s ILE 25 N -4.04 2.60 1.06 1.52 1.01 -1.26 0.98 121.20 123.07 1wbl s ILE 25 Ca 0.24 -1.39 -0.12 0.00 0.00 0.00 0.00 60.65 59.38 1wbl s ILE 25 Cb 0.05 -2.46 0.22 0.00 0.01 0.00 0.00 42.46 40.29 1wbl s ILE 25 CO 0.04 0.01 1.07 -0.94 0.00 0.00 0.00 174.94 175.12 1wbl s SER 26 N 1.21 1.96 0.37 3.58 1.04 0.32 -4.78 113.70 117.41 1wbl s SER 26 Ca -0.05 1.42 0.04 0.00 0.48 0.00 0.00 55.95 57.84 1wbl s SER 26 Cb -0.19 -2.12 0.70 0.00 0.10 0.00 0.00 66.02 64.51 1wbl s SER 26 CO -0.04 -3.58 1.99 0.77 0.98 0.00 0.00 173.24 173.37 1wbl h SER 27 N -2.19 0.59 -0.05 7.02 4.64 -1.96 -1.90 113.55 119.69 1wbl h SER 27 Ca -0.57 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 60.71 1wbl h SER 27 Cb 1.32 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 1wbl h SER 27 CO 0.53 0.48 0.01 -0.46 -0.87 0.00 0.00 176.83 176.52 1wbl n ASN 28 N -4.41 1.76 -1.03 4.97 6.94 -1.26 -4.86 115.26 117.37 1wbl n ASN 28 Ca 0.04 -2.08 -0.13 0.00 -0.02 0.00 0.00 54.58 52.39 1wbl n ASN 28 Cb 0.10 -0.52 -0.05 0.00 -2.36 0.00 0.00 39.78 36.95 1wbl n ASN 28 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 1wbl n SER 29 N 0.13 -4.45 -4.66 0.53 2.88 -0.71 -4.98 113.62 102.35 1wbl n SER 29 Ca 0.03 0.27 -0.33 0.00 -1.33 0.00 0.00 58.87 57.51 1wbl n SER 29 Cb 0.39 -3.14 -0.10 0.00 -0.75 0.00 0.00 64.21 60.61 1wbl n SER 29 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1wbl s VAL 30 N -2.49 4.07 -0.43 2.46 0.11 -1.26 -1.70 120.40 121.16 1wbl s VAL 30 Ca 0.00 -0.51 -0.24 0.00 -2.93 0.00 0.00 61.98 58.30 1wbl s VAL 30 Cb 0.00 -2.76 0.02 0.00 -1.53 0.00 0.00 36.38 32.11 1wbl s VAL 30 CO 0.00 0.47 0.83 -0.22 -3.33 0.00 0.00 175.10 172.85 1wbl s LEU 31 N -1.26 4.14 -0.36 2.54 2.96 -1.08 -0.52 118.68 125.09 1wbl s LEU 31 Ca 0.17 0.10 -0.16 0.00 -0.22 0.00 0.00 54.13 54.02 1wbl s LEU 31 Cb -0.11 -3.06 -0.00 0.00 0.50 0.00 0.00 46.19 43.51 1wbl s LEU 31 CO 0.07 -0.91 0.42 -1.61 -1.32 0.00 0.00 176.35 172.99 1wbl s GLU 32 N 3.39 3.48 -0.02 1.98 2.02 0.27 -1.57 118.70 128.26 1wbl s GLU 32 Ca 0.33 -0.42 -0.21 0.00 0.02 0.00 0.00 54.97 54.68 1wbl s GLU 32 Cb -0.12 -3.84 -0.26 0.00 0.10 0.00 0.00 34.13 30.02 1wbl s GLU 32 CO 0.22 -0.62 1.03 -0.07 0.02 0.00 0.00 175.26 175.84 1wbl h LEU 33 N 8.90 0.46 -9.59 1.80 3.38 -1.70 0.23 115.31 118.79 1wbl h LEU 33 Ca -0.29 -0.82 -0.57 0.00 0.09 0.00 0.00 57.88 56.29 1wbl h LEU 33 Cb 1.13 -0.14 -0.09 0.00 0.09 0.00 0.00 40.66 41.64 1wbl h LEU 33 CO 0.73 1.22 -0.63 0.42 0.09 0.00 0.00 178.44 180.28 1wbl s THR 34 N -2.97 3.80 0.41 0.22 -4.23 -1.26 -2.90 115.64 108.70 1wbl s THR 34 Ca -0.14 -1.54 -0.27 0.00 -1.18 0.00 0.00 61.69 58.57 1wbl s THR 34 Cb 0.02 -2.97 -0.10 0.00 1.34 0.00 0.00 72.50 70.80 1wbl s THR 34 CO 0.81 -0.22 1.45 1.17 -0.54 0.00 0.00 174.62 177.29 1wbl n LYS 35 N -0.50 2.47 -3.55 3.99 4.81 -1.26 -4.75 118.16 119.36 1wbl n LYS 35 Ca -0.08 0.87 -0.23 0.00 -0.87 0.00 0.00 58.31 58.00 1wbl n LYS 35 Cb 0.57 -2.63 -0.15 0.00 0.02 0.00 0.00 35.03 32.83 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 -1.15 -0.19 -0.45 3.15 0.11 -1.26 -1.90 120.40 118.71 1wbl s VAL 36 Ca 0.56 -0.20 -0.16 0.00 -2.93 0.00 0.00 61.98 59.26 1wbl s VAL 36 Cb -0.47 -0.66 0.05 0.00 -1.53 0.00 0.00 36.38 33.77 1wbl s VAL 36 CO 0.61 -0.29 0.38 0.68 -3.33 0.00 0.00 175.10 173.15 1wbl s VAL 37 N 2.22 5.21 -1.18 2.04 -7.23 0.38 -4.58 120.40 117.26 1wbl s VAL 37 Ca 0.05 -0.83 -0.03 0.00 -1.81 0.00 0.00 61.98 59.36 1wbl s VAL 37 Cb -0.16 -4.06 -0.02 0.00 0.56 0.00 0.00 36.38 32.71 1wbl s VAL 37 CO -0.13 -0.48 0.91 0.59 -0.31 0.00 0.00 175.10 175.68 1wbl n ASN 38 N 5.28 -3.24 0.00 4.85 5.03 -1.26 -2.54 115.26 123.37 1wbl n ASN 38 Ca -0.11 -0.70 0.00 0.00 0.87 0.00 0.00 54.58 54.64 1wbl n ASN 38 Cb 0.45 -4.87 0.00 0.00 -1.02 0.00 0.00 39.78 34.34 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 -1.26 0.73 2.94 7.41 0.00 -1.26 -5.01 105.19 108.74 1wbl n GLY 39 Ca -0.22 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.56 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 0.85 0.42 1.61 1.01 -1.05 -5.13 120.40 115.14 1wbl s VAL 40 Ca 0.00 -0.28 -0.23 0.00 0.00 0.00 0.00 61.98 61.47 1wbl s VAL 40 Cb 0.00 -0.83 -0.09 0.00 0.00 0.00 0.00 36.38 35.45 1wbl s VAL 40 CO 0.00 0.30 1.01 -2.16 0.00 0.00 0.00 175.10 174.26 1wbl s PRO 41 N 0.98 4.13 0.20 2.72 0.04 -1.26 0.14 135.00 141.95 1wbl s PRO 41 Ca -0.09 1.37 0.06 0.00 0.04 0.00 0.00 61.00 62.37 1wbl s PRO 41 Cb -0.15 -2.37 -0.04 0.00 0.04 0.00 0.00 34.50 31.99 1wbl s PRO 41 CO 0.00 -0.15 0.16 0.95 0.04 0.00 0.00 177.00 178.00 1wbl s THR 42 N -1.85 4.44 0.39 1.26 -4.23 -0.80 -4.83 115.64 110.03 1wbl s THR 42 Ca 0.60 -1.23 -0.06 0.00 -1.18 0.00 0.00 61.69 59.82 1wbl s THR 42 Cb -0.17 -3.32 0.09 0.00 1.34 0.00 0.00 72.50 70.44 1wbl s THR 42 CO 0.22 -0.21 0.53 -2.67 -0.54 0.00 0.00 174.62 171.95 1wbl n TRP 43 N -0.68 -3.95 -2.56 3.99 4.27 -1.26 -4.32 117.44 112.93 1wbl n TRP 43 Ca -0.08 -0.49 -0.13 0.00 -3.89 0.00 0.00 57.50 52.91 1wbl n TRP 43 Cb 0.56 -0.41 -0.00 0.00 -1.36 0.00 0.00 31.31 30.10 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 -3.33 -3.78 -4.47 -0.67 5.15 0.11 -4.90 115.26 103.38 1wbl n ASN 44 Ca 0.07 0.14 -0.31 0.00 -0.60 0.00 0.00 54.58 53.88 1wbl n ASN 44 Cb 0.24 -3.20 -0.12 0.00 -0.53 0.00 0.00 39.78 36.16 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 -2.12 3.86 -0.16 1.20 0.15 -1.26 -4.98 113.70 110.39 1wbl s SER 45 Ca 0.05 -0.42 -0.08 0.00 0.70 0.00 0.00 55.95 56.20 1wbl s SER 45 Cb -0.03 -0.63 0.06 0.00 -1.71 0.00 0.00 66.02 63.71 1wbl s SER 45 CO 0.06 0.25 0.37 -0.89 1.20 0.00 0.00 173.24 174.23 1wbl s THR 46 N -0.95 -0.15 0.04 6.45 2.01 -1.26 -1.06 115.64 120.71 1wbl s THR 46 Ca 0.15 0.13 -0.07 0.00 0.31 0.00 0.00 61.69 62.21 1wbl s THR 46 Cb -0.11 -0.57 -0.00 0.00 0.01 0.00 0.00 72.50 71.83 1wbl s THR 46 CO 0.06 0.05 0.14 -0.83 -0.69 0.00 0.00 174.62 173.35 1wbl s GLY 47 N 1.64 0.11 0.09 4.40 0.00 -1.04 -1.74 107.32 110.78 1wbl s GLY 47 Ca -0.07 -0.41 0.03 0.00 0.00 0.00 0.00 44.72 44.27 1wbl s GLY 47 CO -0.12 -0.56 -0.09 0.50 0.00 0.00 0.00 173.10 172.83 1wbl s ARG 48 N -2.50 0.80 -0.16 2.90 0.52 -1.01 -1.64 118.95 117.85 1wbl s ARG 48 Ca -0.06 -1.15 -0.04 0.00 -0.52 0.00 0.00 55.73 53.97 1wbl s ARG 48 Cb -0.02 -0.41 0.08 0.00 0.52 0.00 0.00 34.95 35.12 1wbl s ARG 48 CO -0.04 0.05 0.21 0.00 0.02 0.00 0.00 175.30 175.55 1wbl s ALA 49 N -2.60 -0.29 0.16 2.13 0.00 -0.43 -0.58 121.76 120.15 1wbl s ALA 49 Ca 0.05 0.45 0.09 0.00 0.00 0.00 0.00 51.96 52.55 1wbl s ALA 49 Cb -0.02 -1.15 -0.04 0.00 0.00 0.00 0.00 23.12 21.91 1wbl s ALA 49 CO -0.01 -0.95 -0.13 -0.51 0.00 0.00 0.00 175.76 174.16 1wbl s LEU 50 N 2.34 2.86 0.31 0.00 2.01 -0.57 -0.91 118.68 124.72 1wbl s LEU 50 Ca 0.05 -0.58 -0.29 0.00 0.01 0.00 0.00 54.13 53.32 1wbl s LEU 50 Cb -0.14 -1.60 -0.10 0.00 0.01 0.00 0.00 46.19 44.36 1wbl s LEU 50 CO -0.10 0.13 1.24 -0.47 1.01 0.00 0.00 176.35 178.16 1wbl s TYR 51 N -1.52 3.23 -1.16 0.29 5.04 -0.03 -1.55 117.35 121.65 1wbl s TYR 51 Ca 0.22 1.49 0.17 0.00 -2.44 0.00 0.00 57.07 56.52 1wbl s TYR 51 Cb -0.09 -3.55 0.76 0.00 0.35 0.00 0.00 41.96 39.43 1wbl s TYR 51 CO 0.13 -1.44 1.52 0.00 -1.34 0.00 0.00 175.55 174.42 1wbl n ALA 52 N 1.03 1.82 -2.59 3.97 0.00 0.15 -4.63 120.51 120.26 1wbl n ALA 52 Ca -0.00 -0.07 -0.31 0.00 0.00 0.00 0.00 53.44 53.07 1wbl n ALA 52 Cb 0.43 -1.27 -0.16 0.00 0.00 0.00 0.00 19.45 18.44 1wbl n ALA 52 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1wbl s LYS 53 N -2.84 2.30 0.21 0.00 1.02 -1.26 -5.03 119.74 114.14 1wbl s LYS 53 Ca 0.11 -0.88 -0.30 0.00 0.02 0.00 0.00 55.97 54.92 1wbl s LYS 53 Cb 0.11 -2.04 -0.08 0.00 -0.52 0.00 0.00 37.83 35.29 1wbl s LYS 53 CO 0.29 0.43 1.19 -1.25 -0.92 0.00 0.00 175.35 175.08 1wbl s PRO 54 N -0.31 4.51 -0.15 -1.68 0.04 -1.26 -4.78 135.00 131.36 1wbl s PRO 54 Ca 0.01 1.88 -0.06 0.00 0.04 0.00 0.00 61.00 62.88 1wbl s PRO 54 Cb -0.12 -3.22 -0.04 0.00 0.04 0.00 0.00 34.50 31.16 1wbl s PRO 54 CO 0.02 -0.03 0.06 0.14 0.04 0.00 0.00 177.00 177.22 1wbl s VAL 55 N -0.35 4.75 -0.40 -0.36 -7.23 0.26 -4.83 120.40 112.24 1wbl s VAL 55 Ca 0.51 -0.06 -0.29 0.00 -1.81 0.00 0.00 61.98 60.33 1wbl s VAL 55 Cb -0.33 -3.10 0.02 0.00 0.56 0.00 0.00 36.38 33.53 1wbl s VAL 55 CO 0.39 0.51 1.10 -1.58 -0.31 0.00 0.00 175.10 175.21 1wbl s GLN 56 N -0.08 3.88 0.06 4.82 0.74 -1.26 -1.59 119.66 126.23 1wbl s GLN 56 Ca 0.06 0.79 0.24 0.00 0.05 0.00 0.00 55.36 56.50 1wbl s GLN 56 Cb -0.12 -3.82 0.25 0.00 1.10 0.00 0.00 33.01 30.41 1wbl s GLN 56 CO 0.01 -1.14 1.22 1.33 -0.55 0.00 0.00 175.29 176.16 1wbl n VAL 57 N 6.35 0.18 -3.50 1.34 0.24 0.46 -4.81 118.33 118.59 1wbl n VAL 57 Ca 0.12 -0.18 -0.14 0.00 -2.04 0.00 0.00 64.34 62.10 1wbl n VAL 57 Cb 0.48 0.14 -0.04 0.00 -1.47 0.00 0.00 33.84 32.95 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 -3.13 -0.54 -0.13 6.34 1.48 -1.17 0.63 118.94 122.42 1wbl s TRP 58 Ca 0.06 0.69 0.02 0.00 -1.06 0.00 0.00 56.10 55.82 1wbl s TRP 58 Cb 0.15 0.48 0.01 0.00 -1.16 0.00 0.00 33.47 32.95 1wbl s TRP 58 CO 0.75 -0.63 -0.20 0.34 -4.06 0.00 0.00 176.95 173.15 1wbl s ASP 59 N -1.82 2.92 0.05 -2.66 2.15 -0.37 -4.53 116.67 112.41 1wbl s ASP 59 Ca -0.04 -0.55 -0.30 0.00 0.43 0.00 0.00 52.55 52.09 1wbl s ASP 59 Cb -0.01 -1.34 -0.18 0.00 -0.30 0.00 0.00 42.92 41.10 1wbl s ASP 59 CO -0.01 0.07 1.51 -1.28 -0.17 0.00 0.00 175.17 175.30 1wbl h SER 60 N 7.29 -0.64 -0.96 -0.34 0.87 -1.93 0.60 113.55 118.43 1wbl h SER 60 Ca -0.31 -0.01 0.31 0.00 -1.23 0.00 0.00 61.79 60.54 1wbl h SER 60 Cb 1.19 0.17 -0.18 0.00 -0.44 0.00 0.00 62.40 63.14 1wbl h SER 60 CO 0.53 -0.39 0.16 0.41 -0.53 0.00 0.00 176.83 177.01 1wbl n THR 61 N -5.38 -0.40 -0.01 2.23 -1.04 -1.26 -0.94 114.28 107.47 1wbl n THR 61 Ca -0.12 2.07 0.08 0.00 -2.04 0.00 0.00 64.05 64.04 1wbl n THR 61 Cb 0.33 -3.12 -0.14 0.00 -1.82 0.00 0.00 70.33 65.58 1wbl n THR 61 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1wbl n THR 62 N -5.36 0.07 -0.74 12.58 -2.24 -1.21 -4.98 114.28 112.39 1wbl n THR 62 Ca 0.27 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1wbl n THR 62 Cb 0.89 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 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 1.54 1.44 3.75 3.38 0.00 0.21 -4.99 105.19 110.51 1wbl n GLY 63 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.20 7.16 0.07 1.61 0.02 -1.19 -4.80 114.94 114.62 1wbl s ASN 64 Ca 0.00 2.27 0.06 0.00 -1.02 0.00 0.00 52.86 54.16 1wbl s ASN 64 Cb 0.00 -2.62 -0.04 0.00 0.02 0.00 0.00 41.25 38.61 1wbl s ASN 64 CO 0.00 -0.26 -0.08 0.54 0.02 0.00 0.00 177.10 177.32 1wbl s VAL 65 N -0.65 3.53 0.56 1.60 0.11 -1.26 -1.23 120.40 123.05 1wbl s VAL 65 Ca 0.48 -1.07 -0.13 0.00 -2.93 0.00 0.00 61.98 58.33 1wbl s VAL 65 Cb -0.32 -2.61 -0.06 0.00 -1.53 0.00 0.00 36.38 31.85 1wbl s VAL 65 CO 0.40 0.21 0.99 0.00 -3.33 0.00 0.00 175.10 173.36 1wbl s ALA 66 N -1.15 3.12 0.05 1.54 0.00 0.20 -4.74 121.76 120.78 1wbl s ALA 66 Ca 0.21 -0.02 0.05 0.00 0.00 0.00 0.00 51.96 52.20 1wbl s ALA 66 Cb -0.11 -3.05 -0.04 0.00 0.00 0.00 0.00 23.12 19.93 1wbl s ALA 66 CO 0.12 -0.46 -0.07 -1.12 0.00 0.00 0.00 175.76 174.23 1wbl s SER 67 N -3.70 4.57 0.10 0.00 0.01 -1.08 -4.25 113.70 109.35 1wbl s SER 67 Ca 0.56 -0.24 -0.13 0.00 1.31 0.00 0.00 55.95 57.45 1wbl s SER 67 Cb -0.11 -1.00 0.02 0.00 0.21 0.00 0.00 66.02 65.15 1wbl s SER 67 CO 0.44 0.23 0.30 0.72 0.41 0.00 0.00 173.24 175.34 1wbl s PHE 68 N -1.11 -0.04 -0.05 2.43 -0.12 -1.00 -1.16 117.98 116.92 1wbl s PHE 68 Ca 0.20 -0.32 -0.02 0.00 -0.05 0.00 0.00 56.93 56.73 1wbl s PHE 68 Cb -0.11 0.11 0.03 0.00 -0.63 0.00 0.00 43.02 42.42 1wbl s PHE 68 CO 0.11 -0.62 0.12 -2.00 -0.05 0.00 0.00 175.22 172.78 1wbl s GLU 69 N -3.77 0.07 -0.03 1.99 2.12 0.28 -0.90 118.70 118.46 1wbl s GLU 69 Ca 0.03 0.32 0.01 0.00 0.36 0.00 0.00 54.97 55.70 1wbl s GLU 69 Cb 0.03 -0.17 0.01 0.00 0.26 0.00 0.00 34.13 34.26 1wbl s GLU 69 CO -0.11 -0.15 -0.05 -0.08 -0.54 0.00 0.00 175.26 174.32 1wbl s THR 70 N 1.06 0.54 -0.01 -1.70 -1.32 -0.09 0.10 115.64 114.22 1wbl s THR 70 Ca -0.08 -0.19 0.04 0.00 -1.21 0.00 0.00 61.69 60.25 1wbl s THR 70 Cb -0.11 -0.53 -0.01 0.00 -1.51 0.00 0.00 72.50 70.34 1wbl s THR 70 CO -0.05 0.20 -0.14 -0.13 -2.21 0.00 0.00 174.62 172.29 1wbl s ARG 71 N 0.52 1.17 0.19 7.08 0.52 0.27 -0.50 118.95 128.20 1wbl s ARG 71 Ca -0.07 -0.49 -0.20 0.00 -0.52 0.00 0.00 55.73 54.45 1wbl s ARG 71 Cb -0.10 -1.12 0.04 0.00 0.52 0.00 0.00 34.95 34.29 1wbl s ARG 71 CO 0.00 0.28 0.57 -0.59 0.02 0.00 0.00 175.30 175.58 1wbl s PHE 72 N -0.25 -0.29 0.01 -0.53 -0.71 -0.56 -0.28 117.98 115.38 1wbl s PHE 72 Ca 0.04 -0.02 0.07 0.00 -1.04 0.00 0.00 56.93 55.97 1wbl s PHE 72 Cb -0.06 0.49 -0.02 0.00 -1.21 0.00 0.00 43.02 42.22 1wbl s PHE 72 CO -0.00 -0.92 -0.21 -1.12 -1.34 0.00 0.00 175.22 171.63 1wbl s SER 73 N -2.83 2.46 0.27 1.98 0.01 -0.96 -0.34 113.70 114.29 1wbl s SER 73 Ca 0.06 -0.44 0.01 0.00 1.31 0.00 0.00 55.95 56.89 1wbl s SER 73 Cb -0.01 -0.24 -0.03 0.00 0.21 0.00 0.00 66.02 65.94 1wbl s SER 73 CO -0.06 0.21 0.25 0.72 0.41 0.00 0.00 173.24 174.78 1wbl s PHE 74 N -0.63 1.31 -0.13 2.43 -0.12 -0.70 -0.86 117.98 119.27 1wbl s PHE 74 Ca 0.08 -1.43 -0.11 0.00 -0.05 0.00 0.00 56.93 55.42 1wbl s PHE 74 Cb -0.08 -0.50 0.04 0.00 -0.63 0.00 0.00 43.02 41.84 1wbl s PHE 74 CO 0.00 -0.81 0.35 0.45 -0.05 0.00 0.00 175.22 175.16 1wbl s SER 75 N -3.24 -0.38 -0.15 1.98 0.15 0.19 -1.63 113.70 110.63 1wbl s SER 75 Ca 0.37 0.72 -0.01 0.00 0.70 0.00 0.00 55.95 57.73 1wbl s SER 75 Cb 0.04 0.70 0.04 0.00 -1.71 0.00 0.00 66.02 65.09 1wbl s SER 75 CO 0.19 -0.13 -0.03 -0.63 1.20 0.00 0.00 173.24 173.83 1wbl s ILE 76 N 0.43 0.87 -0.17 6.45 1.01 -1.26 -1.05 121.20 127.48 1wbl s ILE 76 Ca -0.02 -0.47 -0.05 0.00 0.00 0.00 0.00 60.65 60.11 1wbl s ILE 76 Cb -0.04 -1.10 -0.03 0.00 0.01 0.00 0.00 42.46 41.30 1wbl s ILE 76 CO -0.02 0.10 0.00 -0.13 0.00 0.00 0.00 174.94 174.89 1wbl s ARG 77 N 1.74 3.78 -0.46 2.79 3.00 -1.25 -0.82 118.95 127.73 1wbl s ARG 77 Ca 0.01 -0.45 -0.05 0.00 0.00 0.00 0.00 55.73 55.24 1wbl s ARG 77 Cb -0.15 -3.04 0.12 0.00 0.00 0.00 0.00 34.95 31.88 1wbl s ARG 77 CO -0.07 0.24 0.28 -0.65 0.00 0.00 0.00 175.30 175.10 1wbl s GLN 78 N 0.40 2.23 0.19 3.54 -0.21 -1.26 -1.38 119.66 123.17 1wbl s GLN 78 Ca -0.01 -1.92 -0.06 0.00 0.02 0.00 0.00 55.36 53.39 1wbl s GLN 78 Cb -0.14 -3.71 0.11 0.00 1.00 0.00 0.00 33.01 30.28 1wbl s GLN 78 CO 0.02 -1.12 1.57 -1.35 -2.12 0.00 0.00 175.29 172.29 1wbl h PRO 79 N 7.99 0.79 -4.20 2.91 0.11 -1.97 -3.40 132.00 134.24 1wbl h PRO 79 Ca -0.13 -0.37 -0.69 0.00 0.11 0.00 0.00 66.00 64.92 1wbl h PRO 79 Cb 1.04 -0.01 -0.35 0.00 0.11 0.00 0.00 31.00 31.79 1wbl h PRO 79 CO 0.74 0.99 -0.50 -0.06 -0.21 0.00 0.00 178.00 178.97 1wbl s PHE 80 N -4.47 3.53 0.08 0.65 0.08 -1.26 -4.91 117.98 111.68 1wbl s PHE 80 Ca -0.09 -2.53 0.11 0.00 0.12 0.00 0.00 56.93 54.53 1wbl s PHE 80 Cb 0.12 -3.21 0.03 0.00 -0.57 0.00 0.00 43.02 39.40 1wbl s PHE 80 CO 0.85 -0.93 1.42 -1.00 -0.10 0.00 0.00 175.22 175.46 1wbl h PRO 81 N 7.70 0.00 -0.07 0.24 0.13 -1.90 -3.39 132.00 134.71 1wbl h PRO 81 Ca -0.09 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.04 1wbl h PRO 81 Cb 1.01 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.14 1wbl h PRO 81 CO 0.70 0.76 -0.04 0.54 -0.23 0.00 0.00 178.00 179.73 1wbl n ARG 82 N -3.40 -0.03 0.00 0.86 5.12 -1.26 -4.03 116.66 113.92 1wbl n ARG 82 Ca 0.00 0.55 0.00 0.00 -1.93 0.00 0.00 57.85 56.48 1wbl n ARG 82 Cb 0.80 -0.83 0.00 0.00 -1.16 0.00 0.00 32.46 31.27 1wbl n ARG 82 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 1wbl n PRO 83 N -2.80 0.00 -3.26 5.56 -0.02 -1.26 -5.07 135.00 128.14 1wbl n PRO 83 Ca 0.00 0.19 0.03 0.00 -2.02 0.00 0.00 63.50 61.70 1wbl n PRO 83 Cb 0.02 -0.62 -0.04 0.00 -0.02 0.00 0.00 33.50 32.83 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 -0.74 -0.25 0.89 6.00 -3.43 -1.26 -5.11 115.29 111.39 1wbl s HIS 84 Ca 0.00 0.44 -0.11 0.00 -0.80 0.00 0.00 55.06 54.58 1wbl s HIS 84 Cb 0.00 0.15 0.12 0.00 -1.43 0.00 0.00 32.58 31.42 1wbl s HIS 84 CO 0.00 -0.12 1.09 -2.14 -2.00 0.00 0.00 174.74 171.57 1wbl s PRO 85 N 2.12 1.32 -0.19 -0.38 0.02 -1.26 -3.81 135.00 132.81 1wbl s PRO 85 Ca -0.01 0.85 -0.34 0.00 0.02 0.00 0.00 61.00 61.53 1wbl s PRO 85 Cb -0.02 -1.81 0.14 0.00 0.02 0.00 0.00 34.50 32.83 1wbl s PRO 85 CO -0.16 -2.21 1.19 0.00 -0.33 0.00 0.00 177.00 175.49 1wbl s ALA 86 N -2.93 -2.05 -0.06 -1.55 0.00 -1.26 -4.23 121.76 109.69 1wbl s ALA 86 Ca 0.63 1.60 0.06 0.00 0.00 0.00 0.00 51.96 54.26 1wbl s ALA 86 Cb -0.18 -0.31 -0.09 0.00 0.00 0.00 0.00 23.12 22.53 1wbl s ALA 86 CO 0.57 -0.53 0.05 -0.25 0.00 0.00 0.00 175.76 175.60 1wbl n ASP 87 N 0.05 3.29 0.00 0.00 9.92 0.27 -3.47 116.55 126.61 1wbl n ASP 87 Ca -0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.25 1wbl n ASP 87 Cb 0.58 0.80 0.00 0.00 -0.64 0.00 0.00 41.12 41.87 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 2.48 0.91 3.30 0.44 0.00 -1.17 -1.37 105.19 109.78 1wbl n GLY 88 Ca -0.09 -2.17 -0.17 0.00 0.00 0.00 0.00 46.02 43.59 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 2.52 -0.00 0.99 0.05 -0.91 -2.14 118.68 119.19 1wbl s LEU 89 Ca 0.00 -0.98 -0.03 0.00 0.05 0.00 0.00 54.13 53.16 1wbl s LEU 89 Cb 0.00 -0.56 -0.00 0.00 -2.05 0.00 0.00 46.19 43.57 1wbl s LEU 89 CO 0.00 -0.21 0.06 0.68 -0.55 0.00 0.00 176.35 176.33 1wbl s VAL 90 N -2.93 0.07 -0.21 1.48 -7.23 0.09 -0.67 120.40 111.00 1wbl s VAL 90 Ca 0.19 -0.55 -0.10 0.00 -1.81 0.00 0.00 61.98 59.71 1wbl s VAL 90 Cb -0.00 -0.28 -0.05 0.00 0.56 0.00 0.00 36.38 36.61 1wbl s VAL 90 CO 0.04 -0.30 0.13 0.12 -0.31 0.00 0.00 175.10 174.78 1wbl s PHE 91 N -0.96 3.36 0.22 2.82 5.36 -0.50 -1.23 117.98 127.05 1wbl s PHE 91 Ca -0.11 0.26 0.02 0.00 -0.96 0.00 0.00 56.93 56.14 1wbl s PHE 91 Cb -0.06 -2.17 -0.05 0.00 -0.34 0.00 0.00 43.02 40.40 1wbl s PHE 91 CO 0.00 0.21 0.05 -0.59 -1.46 0.00 0.00 175.22 173.44 1wbl s PHE 92 N 0.53 1.39 -0.07 10.12 -0.71 0.13 -0.71 117.98 128.66 1wbl s PHE 92 Ca 0.07 -1.10 0.00 0.00 -1.04 0.00 0.00 56.93 54.86 1wbl s PHE 92 Cb -0.12 -0.80 0.02 0.00 -1.21 0.00 0.00 43.02 40.91 1wbl s PHE 92 CO -0.00 -0.27 -0.05 0.42 -1.34 0.00 0.00 175.22 173.98 1wbl s ILE 93 N -3.70 0.67 0.20 -4.49 1.01 0.22 -1.97 121.20 113.13 1wbl s ILE 93 Ca 0.31 -0.12 -0.04 0.00 0.00 0.00 0.00 60.65 60.80 1wbl s ILE 93 Cb 0.07 -0.72 -0.03 0.00 0.01 0.00 0.00 42.46 41.79 1wbl s ILE 93 CO 0.09 0.28 0.21 0.00 0.00 0.00 0.00 174.94 175.53 1wbl s ALA 94 N 1.42 0.69 0.75 9.38 0.00 -0.82 -1.10 121.76 132.07 1wbl s ALA 94 Ca -0.02 -1.40 -0.14 0.00 0.00 0.00 0.00 51.96 50.39 1wbl s ALA 94 Cb -0.13 1.19 0.05 0.00 0.00 0.00 0.00 23.12 24.22 1wbl s ALA 94 CO -0.03 -0.64 1.20 -2.14 0.00 0.00 0.00 175.76 174.15 1wbl s PRO 95 N -4.09 2.00 0.77 0.00 0.02 -1.26 -0.92 135.00 131.52 1wbl s PRO 95 Ca 0.31 1.75 -0.12 0.00 0.02 0.00 0.00 61.00 62.96 1wbl s PRO 95 Cb 0.05 -1.82 0.06 0.00 0.02 0.00 0.00 34.50 32.81 1wbl s PRO 95 CO 0.08 -1.94 1.12 -1.25 -0.33 0.00 0.00 177.00 174.69 1wbl s PRO 96 N -3.99 2.11 -1.20 5.54 0.04 -1.26 -4.14 135.00 132.10 1wbl s PRO 96 Ca 0.74 1.39 -0.02 0.00 0.04 0.00 0.00 61.00 63.15 1wbl s PRO 96 Cb -0.29 -1.86 -0.01 0.00 0.04 0.00 0.00 34.50 32.38 1wbl s PRO 96 CO 0.47 -1.79 0.91 0.09 0.04 0.00 0.00 177.00 176.72 1wbl n ASN 97 N -3.29 -2.60 -4.97 6.66 5.03 -1.26 -5.00 115.26 109.84 1wbl n ASN 97 Ca 0.11 -0.69 -0.23 0.00 0.87 0.00 0.00 54.58 54.63 1wbl n ASN 97 Cb 0.52 -4.83 0.03 0.00 -1.02 0.00 0.00 39.78 34.48 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 -3.44 1.81 0.18 3.41 -4.23 -1.26 -5.14 115.64 106.96 1wbl s THR 98 Ca 0.08 -1.27 0.04 0.00 -1.18 0.00 0.00 61.69 59.36 1wbl s THR 98 Cb -0.01 -2.08 -0.05 0.00 1.34 0.00 0.00 72.50 71.70 1wbl s THR 98 CO 0.76 0.00 -0.05 -1.10 -0.54 0.00 0.00 174.62 173.68 1wbl s GLN 99 N -4.48 1.16 -0.12 3.99 -1.52 -1.26 -5.09 119.66 112.34 1wbl s GLN 99 Ca 0.46 -1.54 -0.31 0.00 -1.95 0.00 0.00 55.36 52.02 1wbl s GLN 99 Cb -0.04 -0.57 -0.09 0.00 -0.22 0.00 0.00 33.01 32.10 1wbl s GLN 99 CO 0.29 -0.02 2.07 2.41 -0.25 0.00 0.00 175.29 179.79 1wbl n THR 100 N -0.28 0.52 0.00 -0.19 -1.04 -1.26 -4.94 114.28 107.08 1wbl n THR 100 Ca -0.08 -0.26 0.00 0.00 -2.04 0.00 0.00 64.05 61.67 1wbl n THR 100 Cb 0.62 -2.24 0.00 0.00 -1.82 0.00 0.00 70.33 66.89 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 5.17 -0.41 3.78 3.41 0.00 0.22 -4.97 105.19 112.38 1wbl n GLY 101 Ca 0.26 -1.33 -0.35 0.00 0.00 0.00 0.00 46.02 44.60 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 3.60 0.00 1.61 2.56 0.55 -4.60 118.70 122.42 1wbl s GLU 102 Ca 0.00 1.51 0.00 0.00 0.00 0.00 0.00 54.97 56.48 1wbl s GLU 102 Cb 0.00 -2.09 0.00 0.00 2.00 0.00 0.00 34.13 34.04 1wbl s GLU 102 CO 0.00 -0.63 0.00 0.41 -0.56 0.00 0.00 175.26 174.48 1wbl n GLY 103 N 0.01 1.01 7.00 -1.50 0.00 -1.26 -0.30 105.19 110.15 1wbl n GLY 103 Ca 0.10 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.49 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 5.00 2.65 0.00 -0.02 0.00 -1.26 -1.56 105.19 110.00 1wbl n GLY 104 Ca 0.00 -0.31 0.01 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.10 0.56 -0.02 0.00 -1.26 -1.18 105.19 103.19 1wbl n GLY 105 Ca 0.00 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.06 0.00 -0.98 1.61 4.01 -0.60 -4.97 117.16 115.17 1wbl n TYR 106 Ca 0.01 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.70 1wbl n TYR 106 Cb 0.01 -0.02 -0.02 0.00 -0.31 0.00 0.00 39.34 39.00 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 0.20 -0.09 -0.54 -0.72 3.72 -0.33 -1.19 117.46 118.51 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 0.48 -2.03 0.00 0.00 -0.94 0.00 0.00 39.48 36.98 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 0.39 0.95 0.02 1.37 0.00 0.59 -3.32 105.19 105.18 1wbl n GLY 108 Ca -0.05 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.00 0.17 -3.85 -0.61 -5.35 -0.33 0.70 119.36 108.08 1wbl n ILE 109 Ca 0.00 -0.46 -0.36 0.00 -0.27 0.00 0.00 62.75 61.66 1wbl n ILE 109 Cb 0.00 -0.01 -0.12 0.00 -1.74 0.00 0.00 39.64 37.77 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 -3.13 3.11 -0.45 4.28 5.04 -1.17 -4.62 117.35 120.41 1wbl s TYR 110 Ca -0.07 -0.30 -0.11 0.00 -2.44 0.00 0.00 57.07 54.15 1wbl s TYR 110 Cb 0.11 -2.19 0.09 0.00 0.35 0.00 0.00 41.96 40.32 1wbl s TYR 110 CO 0.74 -0.23 0.32 1.21 -1.34 0.00 0.00 175.55 176.25 1wbl s ASN 111 N 1.29 5.79 0.50 4.32 3.04 -1.26 -0.33 114.94 128.28 1wbl s ASN 111 Ca 0.05 -1.58 0.28 0.00 0.04 0.00 0.00 52.86 51.65 1wbl s ASN 111 Cb -0.15 -2.05 1.37 0.00 -1.54 0.00 0.00 41.25 38.89 1wbl s ASN 111 CO 0.03 -0.62 1.86 -0.65 -3.04 0.00 0.00 177.10 174.69 1wbl h PRO 112 N 8.52 0.12 0.10 0.43 0.11 -1.97 -2.72 132.00 136.60 1wbl h PRO 112 Ca -0.24 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.86 1wbl h PRO 112 Cb 1.09 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1wbl h PRO 112 CO 0.83 0.08 -0.05 1.37 -0.21 0.00 0.00 178.00 180.02 1wbl h LEU 113 N 0.12 -0.12 -7.40 2.35 -0.00 -2.05 -3.42 115.31 104.80 1wbl h LEU 113 Ca 0.47 -0.22 -0.65 0.00 -0.00 0.00 0.00 57.88 57.48 1wbl h LEU 113 Cb 1.65 0.03 -0.41 0.00 -0.00 0.00 0.00 40.66 41.93 1wbl h LEU 113 CO -0.07 0.46 -0.61 -0.44 -0.00 0.00 0.00 178.44 177.78 1wbl s SER 114 N -5.53 4.40 0.24 0.17 0.01 -1.12 -5.10 113.70 106.77 1wbl s SER 114 Ca -0.07 -2.98 -0.30 0.00 1.31 0.00 0.00 55.95 53.91 1wbl s SER 114 Cb -0.00 -1.66 -0.09 0.00 0.21 0.00 0.00 66.02 64.48 1wbl s SER 114 CO 0.24 -0.25 1.04 -2.84 0.41 0.00 0.00 173.24 171.85 1wbl s PRO 115 N -0.24 4.70 0.16 12.44 0.02 -1.04 -4.55 135.00 146.48 1wbl s PRO 115 Ca 0.17 1.67 0.11 0.00 0.02 0.00 0.00 61.00 62.97 1wbl s PRO 115 Cb -0.25 -3.24 -0.04 0.00 0.02 0.00 0.00 34.50 30.98 1wbl s PRO 115 CO -0.01 0.28 -0.25 1.52 -0.33 0.00 0.00 177.00 178.22 1wbl s TYR 116 N -0.94 2.25 0.71 6.54 -0.85 -1.26 -5.06 117.35 118.74 1wbl s TYR 116 Ca 0.44 -0.38 -0.14 0.00 -0.52 0.00 0.00 57.07 56.48 1wbl s TYR 116 Cb -0.29 -1.17 0.03 0.00 0.38 0.00 0.00 41.96 40.90 1wbl s TYR 116 CO 0.37 0.40 1.12 -1.25 -1.52 0.00 0.00 175.55 174.67 1wbl s PRO 117 N -2.36 2.50 -0.26 -3.49 0.04 -1.26 -4.92 135.00 125.25 1wbl s PRO 117 Ca 0.17 1.39 -0.27 0.00 0.04 0.00 0.00 61.00 62.32 1wbl s PRO 117 Cb -0.09 -1.91 0.16 0.00 0.04 0.00 0.00 34.50 32.70 1wbl s PRO 117 CO 0.08 -1.49 1.23 -0.59 0.04 0.00 0.00 177.00 176.27 1wbl s PHE 118 N -2.44 -0.21 -0.10 0.56 -0.12 -1.26 -4.03 117.98 110.38 1wbl s PHE 118 Ca 0.66 0.44 0.00 0.00 -0.05 0.00 0.00 56.93 57.99 1wbl s PHE 118 Cb -0.21 0.45 -0.02 0.00 -0.63 0.00 0.00 43.02 42.61 1wbl s PHE 118 CO 0.46 -0.15 -0.09 0.08 -0.05 0.00 0.00 175.22 175.47 1wbl s VAL 119 N -0.51 3.47 -0.02 -2.49 1.01 -0.26 -0.76 120.40 120.84 1wbl s VAL 119 Ca 0.05 -0.54 -0.13 0.00 0.00 0.00 0.00 61.98 61.36 1wbl s VAL 119 Cb -0.03 -2.44 0.02 0.00 0.00 0.00 0.00 36.38 33.93 1wbl s VAL 119 CO -0.07 0.56 0.27 0.00 0.00 0.00 0.00 175.10 175.86 1wbl s ALA 120 N -0.27 -0.69 -0.17 5.51 0.00 -0.18 -0.61 121.76 125.34 1wbl s ALA 120 Ca 0.03 0.31 -0.04 0.00 0.00 0.00 0.00 51.96 52.26 1wbl s ALA 120 Cb -0.13 0.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.97 1wbl s ALA 120 CO 0.03 -0.23 -0.03 0.08 0.00 0.00 0.00 175.76 175.60 1wbl s VAL 121 N -1.14 3.85 0.13 0.00 1.01 0.11 -0.80 120.40 123.57 1wbl s VAL 121 Ca -0.12 -0.36 0.10 0.00 0.00 0.00 0.00 61.98 61.60 1wbl s VAL 121 Cb -0.05 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 1wbl s VAL 121 CO 0.03 0.47 -0.22 -1.83 0.00 0.00 0.00 175.10 173.56 1wbl s GLU 122 N 0.59 1.61 -0.46 2.72 -1.05 0.57 -1.41 118.70 121.26 1wbl s GLU 122 Ca -0.02 -1.29 0.03 0.00 -0.15 0.00 0.00 54.97 53.54 1wbl s GLU 122 Cb -0.14 -2.00 0.13 0.00 -0.44 0.00 0.00 34.13 31.68 1wbl s GLU 122 CO 0.02 0.46 0.23 -0.06 0.95 0.00 0.00 175.26 176.86 1wbl s PHE 123 N -1.19 2.66 -0.10 4.83 0.08 0.16 -0.93 117.98 123.49 1wbl s PHE 123 Ca 0.17 -2.79 -0.20 0.00 0.12 0.00 0.00 56.93 54.23 1wbl s PHE 123 Cb -0.10 -2.39 -0.04 0.00 -0.57 0.00 0.00 43.02 39.92 1wbl s PHE 123 CO 0.09 -0.78 0.56 0.34 -0.10 0.00 0.00 175.22 175.32 1wbl s ASP 124 N 0.15 6.80 -0.01 1.36 -1.08 -0.45 -2.14 116.67 121.29 1wbl s ASP 124 Ca 0.16 0.95 0.08 0.00 -0.52 0.00 0.00 52.55 53.23 1wbl s ASP 124 Cb -0.25 -2.33 -0.12 0.00 -1.46 0.00 0.00 42.92 38.76 1wbl s ASP 124 CO -0.01 -0.03 0.22 0.35 0.52 0.00 0.00 175.17 176.21 1wbl n THR 125 N 3.66 0.00 -4.49 1.71 -2.24 -0.47 -1.48 114.28 110.97 1wbl n THR 125 Ca -0.05 -0.22 -0.34 0.00 -2.27 0.00 0.00 64.05 61.18 1wbl n THR 125 Cb 0.51 0.44 -0.14 0.00 -2.10 0.00 0.00 70.33 69.04 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 -2.44 2.89 -0.68 4.78 5.36 -1.21 -4.72 117.98 121.97 1wbl s PHE 126 Ca -0.02 -0.66 -0.27 0.00 -0.96 0.00 0.00 56.93 55.02 1wbl s PHE 126 Cb 0.06 -1.93 0.03 0.00 -0.34 0.00 0.00 43.02 40.84 1wbl s PHE 126 CO 0.35 -0.26 1.31 0.50 -1.46 0.00 0.00 175.22 175.65 1wbl s ARG 127 N 0.62 3.25 0.75 10.12 3.52 -1.26 -4.95 118.95 131.00 1wbl s ARG 127 Ca -0.06 -0.00 -0.07 0.00 -0.13 0.00 0.00 55.73 55.47 1wbl s ARG 127 Cb -0.15 -4.15 0.10 0.00 -1.56 0.00 0.00 34.95 29.20 1wbl s ARG 127 CO 0.03 -2.05 1.06 -0.80 -0.81 0.00 0.00 175.30 172.73 1wbl s ASN 128 N 3.86 4.37 0.24 -2.12 -0.87 -1.26 -4.92 114.94 114.24 1wbl s ASN 128 Ca 0.40 0.19 -0.05 0.00 -1.57 0.00 0.00 52.86 51.84 1wbl s ASN 128 Cb -0.08 -0.66 0.41 0.00 -0.02 0.00 0.00 41.25 40.90 1wbl s ASN 128 CO 0.19 -1.88 1.76 0.71 -2.57 0.00 0.00 177.10 175.32 1wbl h THR 129 N -0.76 0.77 -0.02 1.60 1.35 -2.00 -0.38 112.91 113.47 1wbl h THR 129 Ca -0.42 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 1wbl h THR 129 Cb 1.29 0.15 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 1wbl h THR 129 CO 0.50 0.10 0.00 -2.67 -0.25 0.00 0.00 175.52 173.21 1wbl n TRP 130 N -4.90 0.02 -3.96 4.73 2.14 -1.26 -4.90 117.44 109.31 1wbl n TRP 130 Ca 0.13 -0.01 -0.33 0.00 2.07 0.00 0.00 57.50 59.36 1wbl n TRP 130 Cb 0.35 0.00 -0.05 0.00 -0.81 0.00 0.00 31.31 30.79 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 -1.71 6.15 0.75 -0.67 1.01 -0.15 -4.87 116.67 117.17 1wbl s ASP 131 Ca 0.34 0.27 -0.04 0.00 0.71 0.00 0.00 52.55 53.83 1wbl s ASP 131 Cb 0.16 -1.88 0.12 0.00 1.01 0.00 0.00 42.92 42.34 1wbl s ASP 131 CO 0.27 0.25 1.04 -2.16 0.21 0.00 0.00 175.17 174.77 1wbl s PRO 132 N -1.97 1.65 0.33 8.23 0.04 -1.26 -4.68 135.00 137.34 1wbl s PRO 132 Ca 0.27 -0.81 -0.27 0.00 0.04 0.00 0.00 61.00 60.23 1wbl s PRO 132 Cb -0.12 -2.23 -0.13 0.00 0.04 0.00 0.00 34.50 32.06 1wbl s PRO 132 CO 0.19 -1.52 1.00 0.94 0.04 0.00 0.00 177.00 177.64 1wbl n GLN 133 N -2.98 1.35 -4.11 4.56 -0.06 -1.26 -4.80 117.38 110.08 1wbl n GLN 133 Ca 0.13 0.48 -0.22 0.00 -2.00 0.00 0.00 57.00 55.39 1wbl n GLN 133 Cb 0.60 -1.90 -0.04 0.00 -4.06 0.00 0.00 30.24 24.84 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 -1.14 4.34 0.61 1.69 -5.25 -1.26 -4.42 121.20 115.77 1wbl s ILE 134 Ca 0.60 -1.43 -0.10 0.00 -0.99 0.00 0.00 60.65 58.72 1wbl s ILE 134 Cb -0.65 -3.36 -0.03 0.00 2.95 0.00 0.00 42.46 41.36 1wbl s ILE 134 CO 0.59 -0.34 1.01 -2.84 -1.79 0.00 0.00 174.94 171.57 1wbl s PRO 135 N -3.84 3.53 -0.00 0.37 0.02 -1.26 -4.95 135.00 128.86 1wbl s PRO 135 Ca 0.33 0.65 -0.20 0.00 0.02 0.00 0.00 61.00 61.81 1wbl s PRO 135 Cb -0.08 -2.11 0.04 0.00 0.02 0.00 0.00 34.50 32.37 1wbl s PRO 135 CO 0.25 -0.57 0.43 -3.38 -0.33 0.00 0.00 177.00 173.40 1wbl s HIS 136 N -3.14 -0.32 0.30 6.54 -3.43 -0.55 -1.45 115.29 113.25 1wbl s HIS 136 Ca 0.54 0.45 -0.10 0.00 -0.80 0.00 0.00 55.06 55.16 1wbl s HIS 136 Cb -0.11 0.21 -0.07 0.00 -1.43 0.00 0.00 32.58 31.18 1wbl s HIS 136 CO 0.53 -0.50 0.64 0.42 -2.00 0.00 0.00 174.74 173.82 1wbl s ILE 137 N -1.68 4.87 -0.04 -5.38 1.01 0.37 -1.34 121.20 119.01 1wbl s ILE 137 Ca -0.10 0.49 -0.23 0.00 0.00 0.00 0.00 60.65 60.80 1wbl s ILE 137 Cb -0.03 -3.67 0.05 0.00 0.01 0.00 0.00 42.46 38.82 1wbl s ILE 137 CO 0.03 -0.26 0.51 -0.83 0.00 0.00 0.00 174.94 174.39 1wbl s GLY 138 N -2.74 -0.38 -0.28 6.18 0.00 -0.10 -1.53 107.32 108.47 1wbl s GLY 138 Ca 0.49 0.90 -0.08 0.00 0.00 0.00 0.00 44.72 46.02 1wbl s GLY 138 CO 0.25 0.62 0.11 -0.42 0.00 0.00 0.00 173.10 173.65 1wbl s ILE 139 N -1.16 4.44 -0.10 0.90 1.01 -0.14 -0.32 121.20 125.83 1wbl s ILE 139 Ca -0.11 -0.29 -0.01 0.00 0.00 0.00 0.00 60.65 60.24 1wbl s ILE 139 Cb -0.03 -3.17 -0.03 0.00 0.01 0.00 0.00 42.46 39.25 1wbl s ILE 139 CO 0.07 0.21 -0.06 -1.81 0.00 0.00 0.00 174.94 173.36 1wbl s ASP 140 N 1.61 4.72 -0.12 3.58 1.01 0.02 0.45 116.67 127.93 1wbl s ASP 140 Ca 0.05 -0.05 -0.01 0.00 0.71 0.00 0.00 52.55 53.25 1wbl s ASP 140 Cb -0.16 -1.41 0.04 0.00 1.01 0.00 0.00 42.92 42.40 1wbl s ASP 140 CO 0.05 0.30 -0.02 -0.69 0.21 0.00 0.00 175.17 175.02 1wbl s VAL 141 N -0.41 0.69 0.00 -1.27 1.01 -1.26 -1.01 120.40 118.15 1wbl s VAL 141 Ca 0.06 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1wbl s VAL 141 Cb -0.12 -0.89 0.00 0.00 0.00 0.00 0.00 36.38 35.36 1wbl s VAL 141 CO 0.02 0.16 0.00 0.59 0.00 0.00 0.00 175.10 175.87 1wbl n ASN 142 N 5.03 -2.40 -3.78 3.32 3.02 0.06 -4.81 115.26 115.70 1wbl n ASN 142 Ca -0.10 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.37 1wbl n ASN 142 Cb 0.49 -2.54 -0.02 0.00 -0.61 0.00 0.00 39.78 37.10 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 -1.68 -0.30 0.00 6.41 0.15 -1.26 -4.88 113.70 112.14 1wbl s SER 143 Ca 0.00 -0.52 0.26 0.00 0.70 0.00 0.00 55.95 56.39 1wbl s SER 143 Cb 0.00 0.69 0.59 0.00 -1.71 0.00 0.00 66.02 65.59 1wbl s SER 143 CO 0.00 -1.25 1.49 0.52 1.20 0.00 0.00 173.24 175.20 1wbl n VAL 144 N -0.43 0.00 -3.28 4.45 0.31 -1.26 -4.64 118.33 113.48 1wbl n VAL 144 Ca -0.07 -0.38 -0.46 0.00 -0.01 0.00 0.00 64.34 63.43 1wbl n VAL 144 Cb 0.60 1.02 -0.05 0.00 -0.91 0.00 0.00 33.84 34.51 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 -2.01 5.16 0.22 2.52 2.07 -1.26 -5.01 121.20 122.88 1wbl s ILE 145 Ca 0.32 -1.42 -0.32 0.00 -1.41 0.00 0.00 60.65 57.83 1wbl s ILE 145 Cb 0.20 -4.36 -0.14 0.00 0.13 0.00 0.00 42.46 38.29 1wbl s ILE 145 CO 0.32 -0.90 1.26 -1.20 -1.91 0.00 0.00 174.94 172.52 1wbl n SER 146 N 5.40 2.01 -0.00 4.50 7.64 -1.26 -4.73 113.62 127.17 1wbl n SER 146 Ca -0.13 1.15 -0.09 0.00 1.01 0.00 0.00 58.87 60.81 1wbl n SER 146 Cb 0.40 -1.32 0.07 0.00 -1.01 0.00 0.00 64.21 62.35 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 2.78 1.31 -3.96 0.44 1.35 -0.39 -3.45 112.91 110.99 1wbl h THR 147 Ca -0.44 -1.70 -0.33 0.00 -0.55 0.00 0.00 66.41 63.38 1wbl h THR 147 Cb 1.31 1.68 -0.25 0.00 -1.73 0.00 0.00 68.15 69.16 1wbl h THR 147 CO 0.72 0.53 -0.76 -0.75 -0.25 0.00 0.00 175.52 175.01 1wbl s LYS 148 N -4.10 0.59 0.03 4.72 2.47 -1.23 -5.00 119.74 117.22 1wbl s LYS 148 Ca -0.07 -0.53 -0.04 0.00 -1.56 0.00 0.00 55.97 53.77 1wbl s LYS 148 Cb 0.12 -0.50 -0.01 0.00 -1.46 0.00 0.00 37.83 35.98 1wbl s LYS 148 CO 0.84 0.12 0.05 0.99 0.16 0.00 0.00 175.35 177.51 1wbl s THR 149 N -0.74 0.13 -0.24 3.43 2.01 -1.26 -0.97 115.64 117.99 1wbl s THR 149 Ca -0.02 -1.04 -0.13 0.00 0.31 0.00 0.00 61.69 60.80 1wbl s THR 149 Cb -0.06 -0.69 0.07 0.00 0.01 0.00 0.00 72.50 71.83 1wbl s THR 149 CO 0.00 -0.57 0.58 0.54 -0.69 0.00 0.00 174.62 174.48 1wbl s VAL 150 N -2.18 -0.02 0.43 3.82 0.11 -0.58 -4.98 120.40 117.01 1wbl s VAL 150 Ca -0.09 0.04 -0.16 0.00 -2.93 0.00 0.00 61.98 58.84 1wbl s VAL 150 Cb -0.04 -0.85 -0.08 0.00 -1.53 0.00 0.00 36.38 33.87 1wbl s VAL 150 CO -0.03 0.01 0.87 -2.16 -3.33 0.00 0.00 175.10 170.47 1wbl s PRO 151 N 1.56 3.98 -0.02 1.54 0.04 -1.26 0.14 135.00 140.97 1wbl s PRO 151 Ca -0.10 0.81 -0.06 0.00 0.04 0.00 0.00 61.00 61.70 1wbl s PRO 151 Cb -0.06 -2.27 0.01 0.00 0.04 0.00 0.00 34.50 32.21 1wbl s PRO 151 CO -0.17 -0.07 0.13 -0.59 0.04 0.00 0.00 177.00 176.34 1wbl s PHE 152 N -2.33 -0.03 -0.08 0.56 -0.12 -0.53 -4.84 117.98 110.61 1wbl s PHE 152 Ca 0.57 0.06 -0.19 0.00 -0.05 0.00 0.00 56.93 57.31 1wbl s PHE 152 Cb -0.10 -0.01 -0.04 0.00 -0.63 0.00 0.00 43.02 42.23 1wbl s PHE 152 CO 0.24 -0.20 0.54 0.99 -0.05 0.00 0.00 175.22 176.75 1wbl s THR 153 N -0.79 5.10 0.35 -4.49 2.01 -1.26 -4.01 115.64 112.55 1wbl s THR 153 Ca -0.09 1.09 -0.25 0.00 0.31 0.00 0.00 61.69 62.75 1wbl s THR 153 Cb -0.05 -3.87 -0.10 0.00 0.01 0.00 0.00 72.50 68.49 1wbl s THR 153 CO 0.01 0.34 0.99 -0.22 -0.69 0.00 0.00 174.62 175.05 1wbl s LEU 154 N 0.41 4.27 -0.67 4.42 2.96 -1.26 -4.99 118.68 123.82 1wbl s LEU 154 Ca 0.29 1.93 -0.17 0.00 -0.22 0.00 0.00 54.13 55.95 1wbl s LEU 154 Cb -0.16 -4.06 0.14 0.00 0.50 0.00 0.00 46.19 42.60 1wbl s LEU 154 CO 0.13 -0.22 0.72 -0.62 -1.32 0.00 0.00 176.35 175.04 1wbl s ASP 155 N -1.57 6.36 -0.41 3.68 2.15 -1.26 -4.99 116.67 120.64 1wbl s ASP 155 Ca 0.53 -1.85 -0.34 0.00 0.43 0.00 0.00 52.55 51.32 1wbl s ASP 155 Cb -0.20 -2.27 -0.12 0.00 -0.30 0.00 0.00 42.92 40.03 1wbl s ASP 155 CO 0.26 -0.94 2.25 -3.20 -0.17 0.00 0.00 175.17 173.37 1wbl n ASN 156 N 5.61 2.04 0.00 -0.34 2.85 -1.26 -0.27 115.26 123.88 1wbl n ASN 156 Ca -0.02 0.30 0.00 0.00 -0.11 0.00 0.00 54.58 54.75 1wbl n ASN 156 Cb 0.44 -1.28 0.00 0.00 1.24 0.00 0.00 39.78 40.18 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 6.48 0.45 1.66 8.20 0.00 -0.00 -4.93 105.19 117.05 1wbl n GLY 157 Ca 0.42 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.32 1wbl n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wbl n GLY 158 N -1.71 -1.26 3.90 -0.02 0.00 0.62 -4.80 105.19 101.91 1wbl n GLY 158 Ca 0.00 -1.69 -0.34 0.00 0.00 0.00 0.00 46.02 43.99 1wbl n GLY 158 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wbl s ILE 159 N -2.24 5.41 -0.03 -0.61 1.01 -1.26 -4.32 121.20 119.15 1wbl s ILE 159 Ca 0.32 -0.15 0.02 0.00 0.00 0.00 0.00 60.65 60.85 1wbl s ILE 159 Cb -0.01 -3.51 0.01 0.00 0.01 0.00 0.00 42.46 38.96 1wbl s ILE 159 CO 0.23 0.35 -0.07 0.00 0.00 0.00 0.00 174.94 175.45 1wbl s ALA 160 N -1.30 0.73 -0.12 9.38 0.00 -0.65 -4.06 121.76 125.75 1wbl s ALA 160 Ca 0.26 -0.21 -0.02 0.00 0.00 0.00 0.00 51.96 51.99 1wbl s ALA 160 Cb -0.13 -0.33 -0.03 0.00 0.00 0.00 0.00 23.12 22.64 1wbl s ALA 160 CO 0.17 0.08 -0.03 -0.80 0.00 0.00 0.00 175.76 175.19 1wbl s ASN 161 N 0.41 4.93 -0.04 0.00 0.01 0.75 -1.72 114.94 119.30 1wbl s ASN 161 Ca -0.06 -0.01 0.04 0.00 -0.71 0.00 0.00 52.86 52.11 1wbl s ASN 161 Cb -0.10 -1.56 -0.00 0.00 0.41 0.00 0.00 41.25 40.00 1wbl s ASN 161 CO 0.00 0.27 -0.14 -0.69 -1.51 0.00 0.00 177.10 175.04 1wbl s VAL 162 N -0.26 1.18 -0.17 1.60 1.01 0.54 -1.13 120.40 123.17 1wbl s VAL 162 Ca 0.05 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.46 1wbl s VAL 162 Cb -0.13 -1.03 0.03 0.00 0.00 0.00 0.00 36.38 35.25 1wbl s VAL 162 CO 0.02 0.35 -0.15 -0.69 0.00 0.00 0.00 175.10 174.63 1wbl s VAL 163 N 0.10 1.73 -0.26 2.92 1.01 -0.81 -1.49 120.40 123.61 1wbl s VAL 163 Ca -0.04 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.14 1wbl s VAL 163 Cb -0.10 -1.65 0.05 0.00 0.00 0.00 0.00 36.38 34.68 1wbl s VAL 163 CO 0.01 0.41 -0.09 -0.63 0.00 0.00 0.00 175.10 174.80 1wbl s ILE 164 N 1.41 2.36 -0.05 2.22 1.01 0.35 -0.94 121.20 127.55 1wbl s ILE 164 Ca 0.03 -1.48 0.06 0.00 0.00 0.00 0.00 60.65 59.26 1wbl s ILE 164 Cb -0.14 -2.33 -0.02 0.00 0.01 0.00 0.00 42.46 39.98 1wbl s ILE 164 CO -0.11 0.03 -0.23 -0.75 0.00 0.00 0.00 174.94 173.88 1wbl s LYS 165 N 1.16 2.46 -0.12 2.79 2.20 -0.13 -0.91 119.74 127.20 1wbl s LYS 165 Ca -0.06 -0.87 0.00 0.00 -0.36 0.00 0.00 55.97 54.68 1wbl s LYS 165 Cb -0.19 -2.19 0.02 0.00 -1.51 0.00 0.00 37.83 33.96 1wbl s LYS 165 CO -0.05 0.46 -0.12 -0.47 -0.36 0.00 0.00 175.35 174.82 1wbl s TYR 166 N -0.35 1.79 -0.39 4.03 5.04 -0.08 -0.85 117.35 126.54 1wbl s TYR 166 Ca 0.02 -0.91 -0.15 0.00 -2.44 0.00 0.00 57.07 53.59 1wbl s TYR 166 Cb -0.12 -1.37 0.01 0.00 0.35 0.00 0.00 41.96 40.83 1wbl s TYR 166 CO 0.02 -0.53 0.34 -0.51 -1.34 0.00 0.00 175.55 173.53 1wbl s ASP 167 N 1.41 6.14 0.55 4.32 1.01 -0.69 -2.38 116.67 127.03 1wbl s ASP 167 Ca 0.01 -0.63 0.29 0.00 0.71 0.00 0.00 52.55 52.93 1wbl s ASP 167 Cb -0.13 -2.18 1.62 0.00 1.01 0.00 0.00 42.92 43.24 1wbl s ASP 167 CO -0.07 -0.44 2.15 0.00 0.21 0.00 0.00 175.17 177.02 1wbl h ALA 168 N 8.61 1.33 -0.00 5.23 0.00 -1.88 0.42 119.26 132.97 1wbl h ALA 168 Ca -0.28 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 1wbl h ALA 168 Cb 1.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1wbl h ALA 168 CO 0.73 0.09 -0.01 0.66 0.00 0.00 0.00 179.25 180.72 1wbl h SER 169 N 0.00 0.01 0.85 0.00 4.64 -1.92 -3.29 113.55 113.84 1wbl h SER 169 Ca -0.00 -0.62 0.00 0.00 -0.47 0.00 0.00 61.79 60.70 1wbl h SER 169 Cb 0.22 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1wbl h SER 169 CO 0.01 0.63 -0.52 0.35 -0.87 0.00 0.00 176.83 176.43 1wbl n THR 170 N -4.78 0.28 -2.19 2.95 -2.24 -1.12 -4.95 114.28 102.22 1wbl n THR 170 Ca -0.09 -0.20 -0.20 0.00 -2.27 0.00 0.00 64.05 61.29 1wbl n THR 170 Cb 0.31 -0.11 -0.03 0.00 -2.10 0.00 0.00 70.33 68.41 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 -1.96 -1.54 -3.47 -0.78 5.02 0.14 -4.91 118.16 110.66 1wbl n LYS 171 Ca 0.04 1.02 -0.37 0.00 -2.02 0.00 0.00 58.31 56.98 1wbl n LYS 171 Cb 0.41 -5.57 -0.07 0.00 -0.02 0.00 0.00 35.03 29.79 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 -2.93 5.27 -0.37 -0.18 1.01 -1.17 0.36 121.20 123.19 1wbl s ILE 172 Ca 0.00 0.66 -0.08 0.00 0.00 0.00 0.00 60.65 61.23 1wbl s ILE 172 Cb 0.00 -3.68 0.05 0.00 0.01 0.00 0.00 42.46 38.84 1wbl s ILE 172 CO 0.00 0.37 0.17 -0.22 0.00 0.00 0.00 174.94 175.26 1wbl s LEU 173 N 0.51 4.65 -0.13 2.97 2.96 0.12 -1.70 118.68 128.06 1wbl s LEU 173 Ca 0.19 -1.25 0.00 0.00 -0.22 0.00 0.00 54.13 52.85 1wbl s LEU 173 Cb -0.14 -1.93 -0.01 0.00 0.50 0.00 0.00 46.19 44.62 1wbl s LEU 173 CO 0.06 -0.40 -0.14 -1.38 -1.32 0.00 0.00 176.35 173.16 1wbl s HIS 174 N 1.42 2.79 0.03 5.38 -3.43 -0.03 -1.64 115.29 119.81 1wbl s HIS 174 Ca 0.01 -0.69 0.09 0.00 -0.80 0.00 0.00 55.06 53.66 1wbl s HIS 174 Cb -0.21 -1.83 -0.03 0.00 -1.43 0.00 0.00 32.58 29.09 1wbl s HIS 174 CO 0.03 -0.24 -0.26 0.14 -2.00 0.00 0.00 174.74 172.41 1wbl s VAL 175 N 0.37 2.07 -0.01 -5.38 -7.23 0.55 -0.96 120.40 109.81 1wbl s VAL 175 Ca -0.11 -1.29 0.05 0.00 -1.81 0.00 0.00 61.98 58.81 1wbl s VAL 175 Cb -0.16 -1.76 -0.01 0.00 0.56 0.00 0.00 36.38 35.01 1wbl s VAL 175 CO 0.06 0.41 -0.16 -0.69 -0.31 0.00 0.00 175.10 174.41 1wbl s VAL 176 N -0.75 1.24 -0.13 1.32 1.01 -0.12 -1.11 120.40 121.87 1wbl s VAL 176 Ca 0.11 -0.67 -0.00 0.00 0.00 0.00 0.00 61.98 61.41 1wbl s VAL 176 Cb -0.10 -1.03 0.03 0.00 0.00 0.00 0.00 36.38 35.27 1wbl s VAL 176 CO 0.01 0.35 -0.09 -0.22 0.00 0.00 0.00 175.10 175.15 1wbl s LEU 177 N -0.37 1.33 -0.07 3.92 2.96 0.13 -1.92 118.68 124.68 1wbl s LEU 177 Ca 0.06 -0.38 0.05 0.00 -0.22 0.00 0.00 54.13 53.64 1wbl s LEU 177 Cb -0.06 -0.92 -0.00 0.00 0.50 0.00 0.00 46.19 45.70 1wbl s LEU 177 CO -0.01 -0.11 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.01 1wbl s VAL 178 N 1.65 1.77 -0.60 1.68 1.01 -0.28 -0.91 120.40 124.72 1wbl s VAL 178 Ca 0.05 -0.89 -0.08 0.00 0.00 0.00 0.00 61.98 61.06 1wbl s VAL 178 Cb -0.13 -1.53 0.16 0.00 0.00 0.00 0.00 36.38 34.88 1wbl s VAL 178 CO -0.09 0.50 0.46 -0.36 0.00 0.00 0.00 175.10 175.62 1wbl s PHE 179 N 0.14 3.50 0.31 5.22 0.08 -0.83 -0.17 117.98 126.22 1wbl s PHE 179 Ca -0.09 -2.23 0.07 0.00 0.12 0.00 0.00 56.93 54.80 1wbl s PHE 179 Cb -0.15 -3.45 0.85 0.00 -0.57 0.00 0.00 43.02 39.70 1wbl s PHE 179 CO 0.05 -0.94 1.67 -1.00 -0.10 0.00 0.00 175.22 174.90 1wbl h PRO 180 N 7.78 0.32 0.00 0.24 0.13 -1.86 0.39 132.00 139.01 1wbl h PRO 180 Ca -0.07 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.01 1wbl h PRO 180 Cb 1.02 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.07 1wbl h PRO 180 CO 0.78 0.21 -0.15 0.77 -0.23 0.00 0.00 178.00 179.39 1wbl h SER 181 N 0.33 0.00 0.02 1.44 0.02 -1.93 -3.06 113.55 110.37 1wbl h SER 181 Ca 0.62 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 61.27 1wbl h SER 181 Cb 1.29 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.77 1wbl h SER 181 CO -0.59 0.15 -2.29 0.18 -1.14 0.00 0.00 176.83 173.14 1wbl n LEU 182 N -3.27 0.03 0.00 5.07 4.77 -0.42 -4.98 117.00 118.19 1wbl n LEU 182 Ca 0.01 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1wbl n LEU 182 Cb 0.40 0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.89 1wbl n LEU 182 CO 0.32 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 1wbl n GLY 183 N 1.65 0.54 3.79 -0.72 0.00 0.13 -5.03 105.19 105.54 1wbl n GLY 183 Ca -0.27 -0.16 -0.39 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.00 4.46 -0.03 2.61 -4.23 -1.21 -4.91 115.64 110.33 1wbl s THR 184 Ca 0.00 1.57 0.06 0.00 -1.18 0.00 0.00 61.69 62.14 1wbl s THR 184 Cb 0.00 -4.07 -0.01 0.00 1.34 0.00 0.00 72.50 69.76 1wbl s THR 184 CO 0.00 0.51 -0.20 -0.63 -0.54 0.00 0.00 174.62 173.76 1wbl s ILE 185 N -1.17 1.58 -0.01 2.99 1.01 -1.26 -1.97 121.20 122.36 1wbl s ILE 185 Ca 0.35 -0.84 0.02 0.00 0.00 0.00 0.00 60.65 60.18 1wbl s ILE 185 Cb -0.22 -1.32 0.00 0.00 0.01 0.00 0.00 42.46 40.93 1wbl s ILE 185 CO 0.24 0.45 -0.06 -0.31 0.00 0.00 0.00 174.94 175.26 1wbl s TYR 186 N -0.33 0.58 0.04 3.97 2.02 -0.09 -4.99 117.35 118.56 1wbl s TYR 186 Ca 0.04 -0.12 0.03 0.00 -0.37 0.00 0.00 57.07 56.66 1wbl s TYR 186 Cb -0.09 -0.42 -0.02 0.00 -0.40 0.00 0.00 41.96 41.02 1wbl s TYR 186 CO 0.00 -0.05 -0.10 -0.08 -1.57 0.00 0.00 175.55 173.75 1wbl s THR 187 N 0.12 0.76 -0.16 -0.71 -1.32 -1.26 0.21 115.64 113.27 1wbl s THR 187 Ca -0.01 -1.04 -0.16 0.00 -1.21 0.00 0.00 61.69 59.26 1wbl s THR 187 Cb -0.05 -0.76 0.04 0.00 -1.51 0.00 0.00 72.50 70.22 1wbl s THR 187 CO -0.00 -0.23 0.46 -0.51 -2.21 0.00 0.00 174.62 172.12 1wbl s ILE 188 N -1.15 0.00 0.04 5.08 2.07 -0.27 -4.97 121.20 122.00 1wbl s ILE 188 Ca -0.05 -0.02 -0.08 0.00 -1.41 0.00 0.00 60.65 59.09 1wbl s ILE 188 Cb -0.09 -0.65 -0.00 0.00 0.13 0.00 0.00 42.46 41.85 1wbl s ILE 188 CO 0.01 -0.01 0.16 0.00 -1.91 0.00 0.00 174.94 173.19 1wbl s ALA 189 N 0.14 -0.26 0.16 1.50 0.00 -1.26 -0.33 121.76 121.71 1wbl s ALA 189 Ca -0.01 -0.38 -0.23 0.00 0.00 0.00 0.00 51.96 51.34 1wbl s ALA 189 Cb -0.03 0.28 0.07 0.00 0.00 0.00 0.00 23.12 23.44 1wbl s ALA 189 CO 0.01 -0.36 0.62 0.34 0.00 0.00 0.00 175.76 176.38 1wbl s ASP 190 N -2.14 -0.54 -0.25 0.00 2.15 -0.65 -4.98 116.67 110.27 1wbl s ASP 190 Ca -0.04 -0.05 -0.16 0.00 0.43 0.00 0.00 52.55 52.73 1wbl s ASP 190 Cb -0.01 0.60 -0.03 0.00 -0.30 0.00 0.00 42.92 43.18 1wbl s ASP 190 CO -0.04 -0.98 0.43 -0.63 -0.17 0.00 0.00 175.17 173.77 1wbl s ILE 191 N -3.73 5.15 -0.03 4.11 1.01 -1.26 0.12 121.20 126.56 1wbl s ILE 191 Ca 0.02 0.72 0.04 0.00 0.00 0.00 0.00 60.65 61.42 1wbl s ILE 191 Cb -0.01 -3.75 -0.00 0.00 0.01 0.00 0.00 42.46 38.70 1wbl s ILE 191 CO -0.11 0.16 -0.14 -0.69 0.00 0.00 0.00 174.94 174.16 1wbl s VAL 192 N 1.93 1.17 -0.80 2.92 1.01 0.16 -4.95 120.40 121.84 1wbl s VAL 192 Ca 0.18 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 61.52 1wbl s VAL 192 Cb -0.15 -1.01 0.20 0.00 0.00 0.00 0.00 36.38 35.42 1wbl s VAL 192 CO 0.09 0.34 0.69 -0.62 0.00 0.00 0.00 175.10 175.60 1wbl s ASP 193 N 0.05 6.04 0.49 3.32 -1.08 -1.26 -4.60 116.67 119.63 1wbl s ASP 193 Ca -0.02 -3.13 0.25 0.00 -0.52 0.00 0.00 52.55 49.13 1wbl s ASP 193 Cb -0.10 -2.00 1.32 0.00 -1.46 0.00 0.00 42.92 40.69 1wbl s ASP 193 CO 0.01 -0.36 1.90 -0.07 0.52 0.00 0.00 175.17 177.17 1wbl h LEU 194 N 6.90 0.15 -1.87 -1.34 3.38 -1.95 -0.54 115.31 120.03 1wbl h LEU 194 Ca 0.08 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1wbl h LEU 194 Cb 0.93 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 1wbl h LEU 194 CO 0.79 0.06 -0.09 0.50 0.09 0.00 0.00 178.44 179.78 1wbl h LYS 195 N 0.15 0.00 0.11 1.13 3.64 -1.91 -1.06 116.57 118.63 1wbl h LYS 195 Ca 0.41 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.53 1wbl h LYS 195 Cb 1.39 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.21 1wbl h LYS 195 CO -0.07 0.09 -1.34 0.37 -2.27 0.00 0.00 179.45 176.24 1wbl h GLN 196 N 0.00 0.23 0.00 1.90 5.75 -1.52 -3.43 115.11 118.04 1wbl h GLN 196 Ca -0.00 -0.39 -0.00 0.00 -0.15 0.00 0.00 58.65 58.10 1wbl h GLN 196 Cb 0.38 0.15 -0.00 0.00 1.07 0.00 0.00 27.48 29.07 1wbl h GLN 196 CO 0.01 1.19 -0.04 -0.39 -2.65 0.00 0.00 178.83 176.95 1wbl h VAL 197 N -0.35 0.62 -2.41 2.39 -1.51 -1.45 -3.48 116.25 110.06 1wbl h VAL 197 Ca -0.29 -1.48 -0.51 0.00 -1.23 0.00 0.00 66.70 63.20 1wbl h VAL 197 Cb 1.72 1.18 -0.02 0.00 -2.13 0.00 0.00 31.29 32.04 1wbl h VAL 197 CO 0.05 0.21 -0.45 -0.76 -1.23 0.00 0.00 177.57 175.39 1wbl s LEU 198 N -8.42 4.32 1.05 4.19 1.43 -0.42 -4.84 118.68 116.00 1wbl s LEU 198 Ca -0.07 0.12 -0.16 0.00 -1.03 0.00 0.00 54.13 52.99 1wbl s LEU 198 Cb -0.01 -2.88 0.22 0.00 0.03 0.00 0.00 46.19 43.55 1wbl s LEU 198 CO 0.25 0.00 1.17 -2.16 0.23 0.00 0.00 176.35 175.84 1wbl s PRO 199 N -3.53 -0.00 0.18 1.29 0.04 -1.26 -4.65 135.00 127.07 1wbl s PRO 199 Ca 0.34 -0.00 -0.13 0.00 0.04 0.00 0.00 61.00 61.25 1wbl s PRO 199 Cb -0.10 -1.73 0.15 0.00 0.04 0.00 0.00 34.50 32.85 1wbl s PRO 199 CO 0.29 -2.91 1.78 0.93 0.04 0.00 0.00 177.00 177.12 1wbl h GLU 200 N -2.01 0.48 -5.90 4.56 5.08 -1.97 -3.42 114.58 111.40 1wbl h GLU 200 Ca -0.47 -0.03 -0.67 0.00 -1.00 0.00 0.00 59.36 57.19 1wbl h GLU 200 Cb 1.29 -0.11 -0.17 0.00 0.50 0.00 0.00 28.75 30.27 1wbl h GLU 200 CO 0.45 0.32 -0.64 -1.12 -1.00 0.00 0.00 179.01 177.01 1wbl s SER 201 N -5.49 5.05 0.25 1.42 0.01 -1.26 -0.40 113.70 113.28 1wbl s SER 201 Ca -0.13 0.07 0.02 0.00 1.31 0.00 0.00 55.95 57.22 1wbl s SER 201 Cb 0.14 -1.46 -0.04 0.00 0.21 0.00 0.00 66.02 64.87 1wbl s SER 201 CO 0.74 0.34 0.19 0.68 0.41 0.00 0.00 173.24 175.59 1wbl s VAL 202 N -0.66 0.00 -0.04 3.43 -7.23 -0.62 -4.07 120.40 111.21 1wbl s VAL 202 Ca 0.10 -1.99 0.05 0.00 -1.81 0.00 0.00 61.98 58.34 1wbl s VAL 202 Cb -0.12 -2.50 -0.02 0.00 0.56 0.00 0.00 36.38 34.30 1wbl s VAL 202 CO 0.02 0.00 -0.20 0.20 -0.31 0.00 0.00 175.10 174.81 1wbl s ASN 203 N -3.23 3.55 0.04 4.85 0.02 -0.10 -0.58 114.94 119.50 1wbl s ASN 203 Ca 0.39 -0.34 0.07 0.00 -1.02 0.00 0.00 52.86 51.96 1wbl s ASN 203 Cb 0.05 -0.69 -0.03 0.00 0.02 0.00 0.00 41.25 40.60 1wbl s ASN 203 CO 0.17 0.32 -0.18 0.68 0.02 0.00 0.00 177.10 178.11 1wbl s VAL 204 N -0.57 2.78 -0.13 1.60 -7.23 -1.26 -1.95 120.40 113.64 1wbl s VAL 204 Ca 0.08 -1.20 0.00 0.00 -1.81 0.00 0.00 61.98 59.05 1wbl s VAL 204 Cb -0.11 -2.17 0.00 0.00 0.56 0.00 0.00 36.38 34.66 1wbl s VAL 204 CO 0.01 0.33 0.00 0.61 -0.31 0.00 0.00 175.10 175.74 1wbl n GLY 205 N 1.53 -0.92 3.37 2.32 0.00 -0.83 -0.85 105.19 109.82 1wbl n GLY 205 Ca -0.16 -0.71 -0.22 0.00 0.00 0.00 0.00 46.02 44.93 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 1.93 -0.08 1.61 0.40 -0.08 -0.69 117.98 118.07 1wbl s PHE 206 Ca 0.00 -0.46 -0.10 0.00 -0.60 0.00 0.00 56.93 55.76 1wbl s PHE 206 Cb 0.00 -0.91 0.02 0.00 0.51 0.00 0.00 43.02 42.65 1wbl s PHE 206 CO 0.00 0.44 0.27 0.45 0.70 0.00 0.00 175.22 177.08 1wbl s SER 207 N -3.06 -0.24 0.08 1.36 0.15 -0.37 -1.31 113.70 110.31 1wbl s SER 207 Ca 0.21 0.39 -0.08 0.00 0.70 0.00 0.00 55.95 57.17 1wbl s SER 207 Cb -0.04 0.48 -0.01 0.00 -1.71 0.00 0.00 66.02 64.74 1wbl s SER 207 CO 0.09 -0.20 0.16 0.00 1.20 0.00 0.00 173.24 174.49 1wbl s ALA 208 N -0.31 -0.13 -0.01 5.45 0.00 -0.65 -0.73 121.76 125.38 1wbl s ALA 208 Ca -0.04 -0.67 -0.09 0.00 0.00 0.00 0.00 51.96 51.16 1wbl s ALA 208 Cb -0.03 0.43 0.01 0.00 0.00 0.00 0.00 23.12 23.52 1wbl s ALA 208 CO 0.01 -0.47 0.19 0.00 0.00 0.00 0.00 175.76 175.50 1wbl s ALA 209 N -3.69 -0.47 0.39 0.00 0.00 -0.91 -2.49 121.76 114.59 1wbl s ALA 209 Ca 0.04 0.04 0.08 0.00 0.00 0.00 0.00 51.96 52.12 1wbl s ALA 209 Cb 0.04 0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.20 1wbl s ALA 209 CO -0.10 -0.22 0.29 0.95 0.00 0.00 0.00 175.76 176.68 1wbl s THR 210 N -1.27 2.79 0.25 0.00 -4.23 -0.22 0.97 115.64 113.93 1wbl s THR 210 Ca -0.13 -1.47 -0.27 0.00 -1.18 0.00 0.00 61.69 58.63 1wbl s THR 210 Cb -0.07 -3.03 -0.16 0.00 1.34 0.00 0.00 72.50 70.59 1wbl s THR 210 CO 0.02 -0.06 0.55 0.61 -0.54 0.00 0.00 174.62 175.20 1wbl n GLY 211 N -1.39 -1.62 3.82 3.99 0.00 0.86 -4.19 105.19 106.66 1wbl n GLY 211 Ca 0.01 0.28 -0.36 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.93 6.99 0.28 1.61 2.15 -1.26 0.08 116.67 125.58 1wbl s ASP 212 Ca 0.63 1.34 0.01 0.00 0.43 0.00 0.00 52.55 54.96 1wbl s ASP 212 Cb -0.84 -2.39 0.60 0.00 -0.30 0.00 0.00 42.92 40.00 1wbl s ASP 212 CO 0.58 0.02 1.76 -0.65 -0.17 0.00 0.00 175.17 176.71 1wbl h PRO 213 N 3.33 0.62 -1.26 4.34 0.11 -1.93 -2.42 132.00 134.78 1wbl h PRO 213 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1wbl h PRO 213 Cb 1.19 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1wbl h PRO 213 CO 0.65 0.41 0.00 -1.13 -0.21 0.00 0.00 178.00 177.72 1wbl n SER 214 N -4.86 1.17 0.00 -2.05 3.41 -1.26 0.11 113.62 110.13 1wbl n SER 214 Ca 0.19 -0.94 0.00 0.00 -0.26 0.00 0.00 58.87 57.86 1wbl n SER 214 Cb 0.49 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 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 0.64 0.43 4.22 5.00 0.00 -0.91 -5.03 105.19 109.53 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 -0.86 0.00 -2.80 1.61 5.02 0.12 -4.97 118.16 116.28 1wbl n LYS 216 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.86 1wbl n LYS 216 Cb 0.00 -2.32 -0.04 0.00 -0.02 0.00 0.00 35.03 32.65 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 3.66 0.31 1.97 -1.52 -1.26 -4.86 119.66 117.96 1wbl s GLN 217 Ca 0.00 0.34 0.25 0.00 -1.95 0.00 0.00 55.36 54.01 1wbl s GLN 217 Cb 0.00 -3.88 1.07 0.00 -0.22 0.00 0.00 33.01 29.98 1wbl s GLN 217 CO 0.00 -1.14 1.76 -0.09 -0.25 0.00 0.00 175.29 175.57 1wbl h ARG 218 N 8.87 0.00 -0.47 2.91 2.43 -1.95 -1.97 114.38 124.21 1wbl h ARG 218 Ca -0.24 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 1wbl h ARG 218 Cb 1.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 1wbl h ARG 218 CO 1.02 0.00 0.00 0.09 -1.51 0.00 0.00 179.97 179.57 1wbl n ASN 219 N -2.38 2.66 -4.07 -3.80 4.13 -1.26 -4.40 115.26 106.13 1wbl n ASN 219 Ca 0.02 -1.97 -0.43 0.00 1.68 0.00 0.00 54.58 53.88 1wbl n ASN 219 Cb 0.23 -0.31 0.00 0.00 -1.54 0.00 0.00 39.78 38.16 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 0.95 4.80 -3.81 5.41 0.00 -0.74 -4.35 120.51 122.78 1wbl n ALA 220 Ca 0.17 -4.10 -0.07 0.00 0.00 0.00 0.00 53.44 49.44 1wbl n ALA 220 Cb 0.43 -3.26 -0.01 0.00 0.00 0.00 0.00 19.45 16.60 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 2.07 0.00 -0.06 0.00 -1.32 -1.26 -0.10 115.64 114.98 1wbl s THR 221 Ca 0.45 -1.03 -0.31 0.00 -1.21 0.00 0.00 61.69 59.59 1wbl s THR 221 Cb 0.07 -2.16 0.12 0.00 -1.51 0.00 0.00 72.50 69.03 1wbl s THR 221 CO -0.01 0.00 1.36 -1.83 -2.21 0.00 0.00 174.62 171.93 1wbl s GLU 222 N -3.65 0.20 0.31 7.08 -1.05 -1.25 -4.35 118.70 115.99 1wbl s GLU 222 Ca 0.12 -0.12 -0.04 0.00 -0.15 0.00 0.00 54.97 54.79 1wbl s GLU 222 Cb -0.06 0.06 -0.05 0.00 -0.44 0.00 0.00 34.13 33.65 1wbl s GLU 222 CO 0.08 -0.09 0.57 0.95 0.95 0.00 0.00 175.26 177.72 1wbl s THR 223 N -2.14 5.03 -0.42 1.83 -4.23 -0.48 -4.82 115.64 110.42 1wbl s THR 223 Ca 0.20 -0.03 0.06 0.00 -1.18 0.00 0.00 61.69 60.75 1wbl s THR 223 Cb 0.04 -3.77 0.22 0.00 1.34 0.00 0.00 72.50 70.34 1wbl s THR 223 CO -0.04 -0.41 0.47 1.41 -0.54 0.00 0.00 174.62 175.51 1wbl n HIS 224 N -1.20 -0.27 -3.82 3.99 -0.00 -1.26 -3.78 115.22 108.89 1wbl n HIS 224 Ca -0.02 -3.52 -0.37 0.00 -0.00 0.00 0.00 57.72 53.81 1wbl n HIS 224 Cb 0.54 -0.16 -0.06 0.00 -0.00 0.00 0.00 29.99 30.31 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 -0.84 6.40 -0.28 0.41 1.01 -0.22 -2.27 116.67 120.89 1wbl s ASP 225 Ca 0.34 0.48 -0.00 0.00 0.71 0.00 0.00 52.55 54.08 1wbl s ASP 225 Cb 0.12 -2.09 0.05 0.00 1.01 0.00 0.00 42.92 42.01 1wbl s ASP 225 CO -0.14 0.37 -0.04 -0.63 0.21 0.00 0.00 175.17 174.94 1wbl s ILE 226 N -0.84 2.73 0.09 0.77 1.01 -0.61 0.56 121.20 124.92 1wbl s ILE 226 Ca 0.15 -1.39 -0.15 0.00 0.00 0.00 0.00 60.65 59.26 1wbl s ILE 226 Cb -0.12 -2.55 -0.10 0.00 0.01 0.00 0.00 42.46 39.70 1wbl s ILE 226 CO 0.04 -0.03 1.39 -0.07 0.00 0.00 0.00 174.94 176.27 1wbl h LEU 227 N 7.94 0.77 -8.02 2.97 -0.00 -1.31 -2.86 115.31 114.79 1wbl h LEU 227 Ca -0.23 -0.51 -0.08 0.00 -0.00 0.00 0.00 57.88 57.07 1wbl h LEU 227 Cb 1.06 -0.22 -0.11 0.00 -0.00 0.00 0.00 40.66 41.39 1wbl h LEU 227 CO 0.52 1.12 -0.21 -0.94 -0.00 0.00 0.00 178.44 178.93 1wbl s SER 228 N -6.63 -0.05 -0.28 -0.43 1.04 -1.22 -4.28 113.70 101.85 1wbl s SER 228 Ca -0.12 -0.80 -0.16 0.00 0.48 0.00 0.00 55.95 55.35 1wbl s SER 228 Cb 0.08 0.49 0.08 0.00 0.10 0.00 0.00 66.02 66.78 1wbl s SER 228 CO 0.84 -0.97 0.71 0.86 0.98 0.00 0.00 173.24 175.66 1wbl s TRP 229 N -3.96 -1.02 0.04 5.02 -0.00 -0.52 -2.26 118.94 116.24 1wbl s TRP 229 Ca 0.17 2.05 0.02 0.00 -0.00 0.00 0.00 56.10 58.34 1wbl s TRP 229 Cb 0.02 0.60 -0.02 0.00 -0.00 0.00 0.00 33.47 34.06 1wbl s TRP 229 CO 0.01 -0.50 -0.07 -1.54 -0.00 0.00 0.00 176.95 174.84 1wbl s SER 230 N 1.55 0.83 -0.13 5.86 1.04 0.62 -0.37 113.70 123.10 1wbl s SER 230 Ca -0.09 -0.50 -0.15 0.00 0.48 0.00 0.00 55.95 55.68 1wbl s SER 230 Cb -0.05 0.02 0.04 0.00 0.10 0.00 0.00 66.02 66.13 1wbl s SER 230 CO -0.19 -0.17 0.41 0.12 0.98 0.00 0.00 173.24 174.39 1wbl s PHE 231 N -1.24 -0.42 -0.09 5.02 5.36 -1.02 -0.57 117.98 125.02 1wbl s PHE 231 Ca -0.09 0.97 -0.07 0.00 -0.96 0.00 0.00 56.93 56.78 1wbl s PHE 231 Cb -0.09 0.16 0.03 0.00 -0.34 0.00 0.00 43.02 42.78 1wbl s PHE 231 CO 0.00 -0.27 0.24 0.45 -1.46 0.00 0.00 175.22 174.19 1wbl s SER 232 N -0.11 -0.25 -0.01 6.13 0.15 0.11 -2.37 113.70 117.36 1wbl s SER 232 Ca -0.03 0.49 0.00 0.00 0.70 0.00 0.00 55.95 57.11 1wbl s SER 232 Cb -0.03 0.46 0.01 0.00 -1.71 0.00 0.00 66.02 64.75 1wbl s SER 232 CO 0.02 -0.11 0.01 0.00 1.20 0.00 0.00 173.24 174.36 1wbl s ALA 233 N 0.48 0.04 -0.24 5.45 0.00 0.09 -0.56 121.76 127.01 1wbl s ALA 233 Ca -0.03 0.12 0.02 0.00 0.00 0.00 0.00 51.96 52.07 1wbl s ALA 233 Cb -0.04 -0.10 0.06 0.00 0.00 0.00 0.00 23.12 23.04 1wbl s ALA 233 CO -0.02 -0.04 -0.10 -1.12 0.00 0.00 0.00 175.76 174.48 1wbl s SER 234 N 0.42 4.11 -0.38 0.00 0.01 -0.31 -0.30 113.70 117.25 1wbl s SER 234 Ca -0.03 -1.25 -0.12 0.00 1.31 0.00 0.00 55.95 55.86 1wbl s SER 234 Cb -0.05 -1.41 0.02 0.00 0.21 0.00 0.00 66.02 64.79 1wbl s SER 234 CO -0.01 -0.19 0.23 -0.22 0.41 0.00 0.00 173.24 173.46 1wbl s LEU 235 N 1.22 4.78 0.10 2.44 0.20 0.46 -2.64 118.68 125.25 1wbl s LEU 235 Ca -0.07 -0.92 0.09 0.00 0.69 0.00 0.00 54.13 53.93 1wbl s LEU 235 Cb -0.19 -2.06 0.46 0.00 -0.43 0.00 0.00 46.19 43.97 1wbl s LEU 235 CO -0.06 -0.39 1.29 -0.81 -0.29 0.00 0.00 176.35 176.09 1wbl n PRO 236 N 5.04 0.05 0.00 0.98 -0.04 -1.26 0.16 135.00 139.93 1wbl n PRO 236 Ca -0.12 0.49 0.03 0.00 -0.04 0.00 0.00 63.50 63.87 1wbl n PRO 236 Cb 0.47 -1.64 0.03 0.00 -0.04 0.00 0.00 33.50 32.31 1wbl n PRO 236 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87