#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 -0.04 -0.01 3.15 2.01 -1.26 0.09 115.64 119.57 1wbl s THR 2 Ca 0.00 0.25 0.08 0.00 0.31 0.00 0.00 61.69 62.33 1wbl s THR 2 Cb 0.00 -0.12 -0.02 0.00 0.01 0.00 0.00 72.50 72.37 1wbl s THR 2 CO 0.00 0.11 -0.25 -0.51 -0.69 0.00 0.00 174.62 173.28 1wbl s ILE 3 N 1.29 2.01 -0.24 1.82 2.07 -0.48 -4.99 121.20 122.69 1wbl s ILE 3 Ca -0.06 -1.12 -0.26 0.00 -1.41 0.00 0.00 60.65 57.80 1wbl s ILE 3 Cb -0.13 -1.68 0.07 0.00 0.13 0.00 0.00 42.46 40.86 1wbl s ILE 3 CO -0.03 0.54 0.72 -0.94 -1.91 0.00 0.00 174.94 173.32 1wbl s SER 4 N -0.67 -0.73 0.06 4.50 1.04 -1.26 -0.90 113.70 115.75 1wbl s SER 4 Ca 0.10 1.33 -0.04 0.00 0.48 0.00 0.00 55.95 57.82 1wbl s SER 4 Cb -0.10 1.32 -0.02 0.00 0.10 0.00 0.00 66.02 67.31 1wbl s SER 4 CO -0.01 -0.30 0.05 0.72 0.98 0.00 0.00 173.24 174.68 1wbl s PHE 5 N 0.13 0.37 -0.03 5.02 -0.12 -0.30 -4.98 117.98 118.06 1wbl s PHE 5 Ca -0.02 -0.86 -0.02 0.00 -0.05 0.00 0.00 56.93 55.99 1wbl s PHE 5 Cb -0.04 -0.26 0.02 0.00 -0.63 0.00 0.00 43.02 42.11 1wbl s PHE 5 CO 0.02 -0.43 0.08 1.21 -0.05 0.00 0.00 175.22 176.06 1wbl s ASN 6 N -2.81 -0.06 -0.29 1.98 2.47 -1.26 -1.01 114.94 113.96 1wbl s ASN 6 Ca 0.05 0.17 0.01 0.00 0.42 0.00 0.00 52.86 53.51 1wbl s ASN 6 Cb 0.06 0.12 0.08 0.00 -1.45 0.00 0.00 41.25 40.07 1wbl s ASN 6 CO -0.10 -0.07 0.02 -0.36 -3.72 0.00 0.00 177.10 172.88 1wbl s PHE 7 N 0.46 2.62 -0.32 0.43 0.08 0.30 -4.94 117.98 116.62 1wbl s PHE 7 Ca -0.03 -2.15 0.27 0.00 0.12 0.00 0.00 56.93 55.14 1wbl s PHE 7 Cb -0.05 -2.05 0.90 0.00 -0.57 0.00 0.00 43.02 41.26 1wbl s PHE 7 CO -0.02 -0.86 1.79 -0.91 -0.10 0.00 0.00 175.22 175.12 1wbl h ASN 8 N 7.89 0.00 -5.24 1.36 -0.26 -1.89 -1.07 115.58 116.37 1wbl h ASN 8 Ca -0.12 0.00 0.36 0.00 -0.56 0.00 0.00 56.30 55.97 1wbl h ASN 8 Cb 1.04 0.00 -0.16 0.00 -1.06 0.00 0.00 38.32 38.14 1wbl h ASN 8 CO 0.46 0.00 0.95 0.00 -1.06 0.00 0.00 177.43 177.79 1wbl s GLN 9 N -3.37 0.10 -0.07 0.81 0.00 -1.26 -4.69 119.66 111.19 1wbl s GLN 9 Ca 0.05 -0.05 -0.02 0.00 -0.00 0.00 0.00 55.36 55.34 1wbl s GLN 9 Cb 0.09 0.04 -0.03 0.00 0.00 0.00 0.00 33.01 33.10 1wbl s GLN 9 CO 0.56 -0.04 0.02 -0.06 0.00 0.00 0.00 175.29 175.77 1wbl s PHE 10 N -2.12 3.21 0.00 9.60 0.08 -0.41 -5.03 117.98 123.31 1wbl s PHE 10 Ca 0.13 0.21 -0.14 0.00 0.12 0.00 0.00 56.93 57.26 1wbl s PHE 10 Cb 0.04 -1.78 -0.06 0.00 -0.57 0.00 0.00 43.02 40.66 1wbl s PHE 10 CO -0.05 0.50 0.39 -3.38 -0.10 0.00 0.00 175.22 172.59 1wbl s HIS 11 N -0.97 3.71 -0.09 0.36 -0.00 -1.26 -4.22 115.29 112.81 1wbl s HIS 11 Ca 0.16 0.94 -0.37 0.00 -0.00 0.00 0.00 55.06 55.78 1wbl s HIS 11 Cb -0.11 -2.25 -0.15 0.00 -0.00 0.00 0.00 32.58 30.07 1wbl s HIS 11 CO 0.05 0.64 1.65 0.94 -0.00 0.00 0.00 174.74 178.01 1wbl n GLN 12 N 1.73 1.48 -3.50 -0.38 -0.06 -1.26 -1.81 117.38 113.57 1wbl n GLN 12 Ca -0.14 0.54 -0.21 0.00 -2.00 0.00 0.00 57.00 55.20 1wbl n GLN 12 Cb 0.53 -2.25 0.03 0.00 -4.06 0.00 0.00 30.24 24.48 1wbl n GLN 12 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 1wbl n ASN 13 N 4.64 -6.03 -4.71 1.69 5.03 -1.26 -4.94 115.26 109.67 1wbl n ASN 13 Ca 0.22 -0.74 -0.42 0.00 0.87 0.00 0.00 54.58 54.52 1wbl n ASN 13 Cb 0.20 -3.78 -0.03 0.00 -1.02 0.00 0.00 39.78 35.15 1wbl n ASN 13 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 1wbl s GLU 14 N -4.87 4.54 0.22 3.52 2.56 -0.75 -4.96 118.70 118.96 1wbl s GLU 14 Ca 0.27 1.34 -0.08 0.00 0.00 0.00 0.00 54.97 56.50 1wbl s GLU 14 Cb -0.09 -3.46 0.25 0.00 2.00 0.00 0.00 34.13 32.83 1wbl s GLU 14 CO 0.83 -0.04 1.86 1.05 -0.56 0.00 0.00 175.26 178.39 1wbl h GLU 15 N 6.81 0.93 0.00 4.30 4.11 -1.92 -3.01 114.58 125.81 1wbl h GLU 15 Ca -0.41 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 58.97 1wbl h GLU 15 Cb 1.21 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1wbl h GLU 15 CO 0.75 0.62 0.04 1.04 0.07 0.00 0.00 179.01 181.53 1wbl n GLN 16 N -4.61 0.07 -4.20 1.06 1.13 -1.26 -4.75 117.38 104.82 1wbl n GLN 16 Ca 0.10 0.55 -0.26 0.00 -1.94 0.00 0.00 57.00 55.45 1wbl n GLN 16 Cb 0.11 -1.77 -0.07 0.00 0.11 0.00 0.00 30.24 28.62 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 -3.74 2.96 -0.35 1.08 1.43 -1.14 -0.05 118.68 118.87 1wbl s LEU 17 Ca -0.01 -1.18 -0.00 0.00 -1.03 0.00 0.00 54.13 51.90 1wbl s LEU 17 Cb 0.03 -1.29 0.13 0.00 0.03 0.00 0.00 46.19 45.09 1wbl s LEU 17 CO 0.10 -0.65 0.19 -0.54 0.23 0.00 0.00 176.35 175.68 1wbl s LYS 18 N -3.94 0.65 0.20 1.70 1.02 0.12 -4.60 119.74 114.89 1wbl s LYS 18 Ca 0.36 -1.28 -0.30 0.00 0.02 0.00 0.00 55.97 54.77 1wbl s LYS 18 Cb 0.03 -1.57 -0.08 0.00 -0.52 0.00 0.00 37.83 35.69 1wbl s LYS 18 CO 0.20 -1.13 0.95 -0.51 -0.92 0.00 0.00 175.35 173.93 1wbl s LEU 19 N 1.19 4.60 0.01 3.17 1.02 -1.26 -0.74 118.68 126.67 1wbl s LEU 19 Ca 0.15 1.90 0.05 0.00 0.02 0.00 0.00 54.13 56.25 1wbl s LEU 19 Cb -0.21 -3.60 -0.02 0.00 0.02 0.00 0.00 46.19 42.38 1wbl s LEU 19 CO -0.10 0.08 -0.14 -1.10 0.02 0.00 0.00 176.35 175.11 1wbl s GLN 20 N -0.80 1.07 5.89 1.70 -0.21 0.89 -4.95 119.66 123.26 1wbl s GLN 20 Ca 0.43 -0.63 0.00 0.00 0.02 0.00 0.00 55.36 55.18 1wbl s GLN 20 Cb -0.25 -1.07 0.00 0.00 1.00 0.00 0.00 33.01 32.69 1wbl s GLN 20 CO 0.31 0.28 0.00 0.54 -2.12 0.00 0.00 175.29 174.30 1wbl n ARG 21 N 2.35 0.00 0.00 2.91 5.12 -1.26 -1.18 116.66 124.59 1wbl n ARG 21 Ca -0.16 0.00 0.02 0.00 -1.93 0.00 0.00 57.85 55.78 1wbl n ARG 21 Cb 0.55 0.00 0.09 0.00 -1.16 0.00 0.00 32.46 31.94 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 0.84 0.00 -4.65 0.55 8.00 -0.19 -4.77 116.55 116.33 1wbl n ASP 22 Ca 0.00 -0.07 -0.42 0.00 0.71 0.00 0.00 54.79 55.01 1wbl n ASP 22 Cb 0.00 -0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.05 1wbl n ASP 22 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wbl n ALA 23 N -1.02 1.61 -2.70 2.24 0.00 -1.06 -4.44 120.51 115.15 1wbl n ALA 23 Ca 0.02 0.16 -0.18 0.00 0.00 0.00 0.00 53.44 53.43 1wbl n ALA 23 Cb 0.01 -2.72 -0.12 0.00 0.00 0.00 0.00 19.45 16.62 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 4.70 0.83 -0.36 0.00 3.00 -0.18 -4.63 118.95 122.31 1wbl s ARG 24 Ca 0.90 -0.90 -0.06 0.00 0.00 0.00 0.00 55.73 55.67 1wbl s ARG 24 Cb -0.42 -0.83 0.05 0.00 0.00 0.00 0.00 34.95 33.75 1wbl s ARG 24 CO 0.41 0.19 0.13 0.42 0.00 0.00 0.00 175.30 176.45 1wbl s ILE 25 N -1.18 3.72 1.07 1.52 1.01 -1.26 0.56 121.20 126.64 1wbl s ILE 25 Ca -0.01 -1.30 -0.12 0.00 0.00 0.00 0.00 60.65 59.22 1wbl s ILE 25 Cb -0.09 -3.18 0.23 0.00 0.01 0.00 0.00 42.46 39.42 1wbl s ILE 25 CO 0.02 -0.28 1.07 -0.94 0.00 0.00 0.00 174.94 174.81 1wbl s SER 26 N 1.56 1.80 0.42 3.58 1.04 -0.12 -4.74 113.70 117.23 1wbl s SER 26 Ca -0.00 1.64 0.10 0.00 0.48 0.00 0.00 55.95 58.17 1wbl s SER 26 Cb -0.20 -2.32 0.88 0.00 0.10 0.00 0.00 66.02 64.48 1wbl s SER 26 CO 0.02 -3.71 2.00 0.77 0.98 0.00 0.00 173.24 173.29 1wbl h SER 27 N -2.29 0.27 -0.15 7.02 4.64 -1.97 -2.27 113.55 118.81 1wbl h SER 27 Ca -0.56 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.73 1wbl h SER 27 Cb 1.31 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1wbl h SER 27 CO 0.49 0.31 0.00 -0.46 -0.87 0.00 0.00 176.83 176.30 1wbl n ASN 28 N -4.38 1.35 0.00 4.97 6.94 -1.26 -4.88 115.26 117.99 1wbl n ASN 28 Ca 0.00 -2.08 0.00 0.00 -0.02 0.00 0.00 54.58 52.48 1wbl n ASN 28 Cb 0.17 -0.29 0.00 0.00 -2.36 0.00 0.00 39.78 37.30 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 0.04 -1.78 -4.48 0.53 2.88 -0.85 -4.99 113.62 104.96 1wbl n SER 29 Ca 0.06 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.26 1wbl n SER 29 Cb 0.27 -0.30 -0.12 0.00 -0.75 0.00 0.00 64.21 63.31 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 -2.00 3.62 -0.44 2.46 0.11 -1.26 -1.29 120.40 121.60 1wbl s VAL 30 Ca 0.00 -0.47 -0.28 0.00 -2.93 0.00 0.00 61.98 58.31 1wbl s VAL 30 Cb 0.00 -2.55 0.03 0.00 -1.53 0.00 0.00 36.38 32.33 1wbl s VAL 30 CO 0.00 0.53 1.04 -0.22 -3.33 0.00 0.00 175.10 173.12 1wbl s LEU 31 N 0.08 3.82 -0.39 2.54 2.96 -1.19 -0.94 118.68 125.56 1wbl s LEU 31 Ca -0.02 0.44 -0.15 0.00 -0.22 0.00 0.00 54.13 54.18 1wbl s LEU 31 Cb -0.14 -3.41 0.01 0.00 0.50 0.00 0.00 46.19 43.15 1wbl s LEU 31 CO 0.03 -1.11 0.31 -1.61 -1.32 0.00 0.00 176.35 172.65 1wbl s GLU 32 N 4.05 3.14 0.09 1.98 2.02 0.19 -1.23 118.70 128.93 1wbl s GLU 32 Ca 0.43 -0.87 -0.15 0.00 0.02 0.00 0.00 54.97 54.40 1wbl s GLU 32 Cb -0.09 -3.93 -0.11 0.00 0.10 0.00 0.00 34.13 30.10 1wbl s GLU 32 CO 0.27 -0.68 1.37 -0.07 0.02 0.00 0.00 175.26 176.17 1wbl h LEU 33 N 8.66 0.73 -9.26 1.80 3.38 -1.57 -0.45 115.31 118.59 1wbl h LEU 33 Ca -0.28 -0.52 -0.68 0.00 0.09 0.00 0.00 57.88 56.50 1wbl h LEU 33 Cb 1.13 -0.21 -0.16 0.00 0.09 0.00 0.00 40.66 41.52 1wbl h LEU 33 CO 0.71 1.10 -0.64 0.42 0.09 0.00 0.00 178.44 180.12 1wbl s THR 34 N -4.19 4.14 0.15 0.22 -4.23 -1.26 -3.30 115.64 107.17 1wbl s THR 34 Ca -0.12 -0.39 -0.33 0.00 -1.18 0.00 0.00 61.69 59.67 1wbl s THR 34 Cb 0.08 -2.75 -0.13 0.00 1.34 0.00 0.00 72.50 71.04 1wbl s THR 34 CO 0.83 0.55 1.69 1.17 -0.54 0.00 0.00 174.62 178.32 1wbl n LYS 35 N 1.97 2.47 -3.75 3.99 4.81 -1.26 -4.71 118.16 121.68 1wbl n LYS 35 Ca -0.17 0.89 -0.29 0.00 -0.87 0.00 0.00 58.31 57.87 1wbl n LYS 35 Cb 0.53 -2.72 -0.16 0.00 0.02 0.00 0.00 35.03 32.71 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 1.55 0.71 -0.38 3.15 0.11 -1.26 -1.27 120.40 123.01 1wbl s VAL 36 Ca 0.79 -0.85 -0.16 0.00 -2.93 0.00 0.00 61.98 58.83 1wbl s VAL 36 Cb -0.59 -1.28 0.00 0.00 -1.53 0.00 0.00 36.38 32.99 1wbl s VAL 36 CO 0.37 -0.33 0.41 0.68 -3.33 0.00 0.00 175.10 172.90 1wbl s VAL 37 N 1.75 5.11 -1.15 2.04 -7.23 -0.26 -4.50 120.40 116.17 1wbl s VAL 37 Ca 0.01 -0.09 -0.07 0.00 -1.81 0.00 0.00 61.98 60.02 1wbl s VAL 37 Cb -0.17 -3.94 -0.03 0.00 0.56 0.00 0.00 36.38 32.80 1wbl s VAL 37 CO -0.13 -0.25 0.86 0.59 -0.31 0.00 0.00 175.10 175.85 1wbl n ASN 38 N 5.52 -4.31 0.00 4.85 5.03 -1.26 -2.72 115.26 122.37 1wbl n ASN 38 Ca -0.08 -0.78 0.00 0.00 0.87 0.00 0.00 54.58 54.59 1wbl n ASN 38 Cb 0.48 -4.57 0.00 0.00 -1.02 0.00 0.00 39.78 34.67 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 -1.38 0.26 2.97 7.41 0.00 -1.26 -5.00 105.19 108.19 1wbl n GLY 39 Ca -0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 1wbl n GLY 39 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wbl s VAL 40 N -1.56 1.00 0.38 1.61 1.01 -1.10 -5.12 120.40 116.62 1wbl s VAL 40 Ca 0.00 -0.36 -0.26 0.00 0.00 0.00 0.00 61.98 61.36 1wbl s VAL 40 Cb 0.00 -0.96 -0.09 0.00 0.00 0.00 0.00 36.38 35.33 1wbl s VAL 40 CO 0.00 0.34 1.16 -2.16 0.00 0.00 0.00 175.10 174.44 1wbl s PRO 41 N 1.01 4.16 0.30 2.72 0.04 -1.26 -1.10 135.00 140.87 1wbl s PRO 41 Ca -0.08 1.83 0.07 0.00 0.04 0.00 0.00 61.00 62.86 1wbl s PRO 41 Cb -0.15 -2.75 -0.03 0.00 0.04 0.00 0.00 34.50 31.61 1wbl s PRO 41 CO -0.00 -0.23 0.23 0.99 0.04 0.00 0.00 177.00 178.03 1wbl s THR 42 N -1.39 3.81 0.64 1.26 2.01 -0.39 -4.84 115.64 116.73 1wbl s THR 42 Ca 0.55 -1.44 0.03 0.00 0.31 0.00 0.00 61.69 61.15 1wbl s THR 42 Cb -0.31 -3.23 0.10 0.00 0.01 0.00 0.00 72.50 69.08 1wbl s THR 42 CO 0.39 -0.25 0.89 -1.66 -0.69 0.00 0.00 174.62 173.30 1wbl s TRP 43 N -2.26 1.69 -1.51 4.92 1.48 -1.26 -4.45 118.94 117.56 1wbl s TRP 43 Ca 0.37 -0.41 -0.04 0.00 -1.06 0.00 0.00 56.10 54.97 1wbl s TRP 43 Cb -0.06 -2.68 0.01 0.00 -1.16 0.00 0.00 33.47 29.58 1wbl s TRP 43 CO 0.25 -1.39 0.37 -1.71 -4.06 0.00 0.00 176.95 170.41 1wbl n ASN 44 N -2.55 -5.44 -4.48 -2.66 5.15 0.28 -4.92 115.26 100.64 1wbl n ASN 44 Ca 0.14 -0.18 -0.33 0.00 -0.60 0.00 0.00 54.58 53.62 1wbl n ASN 44 Cb 0.61 -4.46 -0.13 0.00 -0.53 0.00 0.00 39.78 35.26 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 -2.46 4.06 -0.07 1.20 0.15 -1.26 -4.99 113.70 110.33 1wbl s SER 45 Ca 0.21 -0.19 -0.06 0.00 0.70 0.00 0.00 55.95 56.61 1wbl s SER 45 Cb -0.10 -0.86 0.02 0.00 -1.71 0.00 0.00 66.02 63.38 1wbl s SER 45 CO 0.25 0.34 0.18 -0.89 1.20 0.00 0.00 173.24 174.33 1wbl s THR 46 N -0.75 -0.01 -0.05 6.45 2.01 -1.26 -1.37 115.64 120.66 1wbl s THR 46 Ca 0.12 0.03 -0.26 0.00 0.31 0.00 0.00 61.69 61.89 1wbl s THR 46 Cb -0.11 -0.26 0.06 0.00 0.01 0.00 0.00 72.50 72.20 1wbl s THR 46 CO 0.01 0.01 0.57 -0.83 -0.69 0.00 0.00 174.62 173.69 1wbl s GLY 47 N 0.30 -0.45 0.19 4.40 0.00 -1.16 -1.02 107.32 109.58 1wbl s GLY 47 Ca -0.02 1.04 0.02 0.00 0.00 0.00 0.00 44.72 45.77 1wbl s GLY 47 CO -0.01 0.74 0.01 0.50 0.00 0.00 0.00 173.10 174.33 1wbl s ARG 48 N -1.15 1.18 -0.26 2.90 0.52 -0.33 -1.98 118.95 119.82 1wbl s ARG 48 Ca -0.11 -1.58 -0.02 0.00 -0.52 0.00 0.00 55.73 53.50 1wbl s ARG 48 Cb -0.02 -0.34 0.15 0.00 0.52 0.00 0.00 34.95 35.26 1wbl s ARG 48 CO 0.08 -0.13 0.43 0.00 0.02 0.00 0.00 175.30 175.69 1wbl s ALA 49 N -3.61 -1.35 0.14 2.13 0.00 -0.34 -0.08 121.76 118.66 1wbl s ALA 49 Ca 0.26 1.03 0.04 0.00 0.00 0.00 0.00 51.96 53.28 1wbl s ALA 49 Cb 0.06 -1.82 -0.04 0.00 0.00 0.00 0.00 23.12 21.32 1wbl s ALA 49 CO 0.06 -1.33 0.18 -0.51 0.00 0.00 0.00 175.76 174.16 1wbl s LEU 50 N 2.61 4.03 0.01 0.00 2.01 0.08 -1.43 118.68 125.98 1wbl s LEU 50 Ca 0.14 0.02 -0.30 0.00 0.01 0.00 0.00 54.13 53.99 1wbl s LEU 50 Cb -0.15 -2.63 -0.04 0.00 0.01 0.00 0.00 46.19 43.38 1wbl s LEU 50 CO -0.18 0.08 1.10 -0.47 1.01 0.00 0.00 176.35 177.89 1wbl s TYR 51 N -1.68 3.49 0.32 0.29 5.04 -0.77 0.12 117.35 124.16 1wbl s TYR 51 Ca 0.32 1.46 0.10 0.00 -2.44 0.00 0.00 57.07 56.52 1wbl s TYR 51 Cb -0.11 -3.29 0.95 0.00 0.35 0.00 0.00 41.96 39.87 1wbl s TYR 51 CO 0.25 -0.71 1.67 0.00 -1.34 0.00 0.00 175.55 175.42 1wbl h ALA 52 N 6.92 1.76 -2.71 3.97 0.00 -0.72 -3.42 119.26 125.06 1wbl h ALA 52 Ca -0.39 0.18 -0.66 0.00 0.00 0.00 0.00 54.91 54.04 1wbl h ALA 52 Cb 1.20 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 19.08 1wbl h ALA 52 CO 0.80 -0.48 -0.46 0.15 0.00 0.00 0.00 179.25 179.26 1wbl s LYS 53 N -5.75 3.56 0.40 0.00 1.02 -1.26 -5.04 119.74 112.66 1wbl s LYS 53 Ca -0.11 -0.10 -0.25 0.00 0.02 0.00 0.00 55.97 55.53 1wbl s LYS 53 Cb 0.28 -3.22 -0.09 0.00 -0.52 0.00 0.00 37.83 34.29 1wbl s LYS 53 CO 0.79 0.72 1.10 -1.25 -0.92 0.00 0.00 175.35 175.78 1wbl s PRO 54 N -0.87 4.13 -0.12 -1.68 0.04 -1.26 -4.82 135.00 130.42 1wbl s PRO 54 Ca 0.15 1.65 -0.02 0.00 0.04 0.00 0.00 61.00 62.81 1wbl s PRO 54 Cb -0.12 -2.62 -0.03 0.00 0.04 0.00 0.00 34.50 31.77 1wbl s PRO 54 CO 0.04 -0.20 -0.05 0.14 0.04 0.00 0.00 177.00 176.97 1wbl s VAL 55 N -1.54 3.85 -0.54 -0.36 -7.23 0.09 -4.87 120.40 109.81 1wbl s VAL 55 Ca 0.57 -0.39 -0.26 0.00 -1.81 0.00 0.00 61.98 60.09 1wbl s VAL 55 Cb -0.26 -2.65 0.04 0.00 0.56 0.00 0.00 36.38 34.07 1wbl s VAL 55 CO 0.32 0.53 1.02 -1.58 -0.31 0.00 0.00 175.10 175.08 1wbl s GLN 56 N -0.06 3.42 0.10 4.82 0.74 -1.26 -1.29 119.66 126.13 1wbl s GLN 56 Ca 0.01 -0.03 0.26 0.00 0.05 0.00 0.00 55.36 55.65 1wbl s GLN 56 Cb -0.13 -4.02 0.70 0.00 1.10 0.00 0.00 33.01 30.65 1wbl s GLN 56 CO 0.03 -1.50 1.60 1.33 -0.55 0.00 0.00 175.29 176.19 1wbl n VAL 57 N 6.38 0.29 -3.82 1.34 0.24 0.66 -4.79 118.33 118.63 1wbl n VAL 57 Ca 0.05 -0.17 -0.07 0.00 -2.04 0.00 0.00 64.34 62.11 1wbl n VAL 57 Cb 0.48 -0.27 -0.02 0.00 -1.47 0.00 0.00 33.84 32.56 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 -3.08 -0.19 -0.06 6.34 1.48 -1.18 -0.09 118.94 122.15 1wbl s TRP 58 Ca 0.10 -0.22 -0.01 0.00 -1.06 0.00 0.00 56.10 54.91 1wbl s TRP 58 Cb 0.15 0.69 0.03 0.00 -1.16 0.00 0.00 33.47 33.17 1wbl s TRP 58 CO 0.64 -1.14 -0.00 0.34 -4.06 0.00 0.00 176.95 172.73 1wbl s ASP 59 N -2.91 1.36 0.18 -2.66 2.15 -0.46 -4.67 116.67 109.65 1wbl s ASP 59 Ca 0.11 -0.07 -0.12 0.00 0.43 0.00 0.00 52.55 52.89 1wbl s ASP 59 Cb -0.05 -0.40 0.09 0.00 -0.30 0.00 0.00 42.92 42.26 1wbl s ASP 59 CO 0.05 -0.17 1.78 -1.28 -0.17 0.00 0.00 175.17 175.38 1wbl h SER 60 N 8.08 0.77 -0.13 -0.34 0.87 -1.95 0.90 113.55 121.75 1wbl h SER 60 Ca -0.24 -0.11 0.04 0.00 -1.23 0.00 0.00 61.79 60.25 1wbl h SER 60 Cb 1.13 -0.20 -0.07 0.00 -0.44 0.00 0.00 62.40 62.83 1wbl h SER 60 CO 0.30 0.66 -0.48 0.74 -0.53 0.00 0.00 176.83 177.52 1wbl h THR 61 N 0.83 0.07 0.00 2.23 2.02 -1.97 -3.13 112.91 112.95 1wbl h THR 61 Ca 0.21 0.00 -0.22 0.00 0.77 0.00 0.00 66.41 67.18 1wbl h THR 61 Cb 0.07 0.07 -0.04 0.00 -1.74 0.00 0.00 68.15 66.51 1wbl h THR 61 CO -0.03 0.00 -1.47 0.71 0.37 0.00 0.00 175.52 175.10 1wbl h THR 62 N -0.54 0.70 0.00 3.16 1.35 -1.89 -3.48 112.91 112.21 1wbl h THR 62 Ca 0.06 -2.35 0.00 0.00 -0.55 0.00 0.00 66.41 63.57 1wbl h THR 62 Cb 0.66 2.24 0.00 0.00 -1.73 0.00 0.00 68.15 69.32 1wbl h THR 62 CO -0.42 0.40 0.00 0.61 -0.25 0.00 0.00 175.52 175.86 1wbl n GLY 63 N 1.45 0.52 3.78 5.82 0.00 0.31 -5.02 105.19 112.05 1wbl n GLY 63 Ca -0.12 -0.17 -0.39 0.00 0.00 0.00 0.00 46.02 45.34 1wbl n GLY 63 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wbl s ASN 64 N -2.16 7.25 -0.06 1.61 0.02 -1.20 -4.86 114.94 115.53 1wbl s ASN 64 Ca 0.00 1.48 0.03 0.00 -1.02 0.00 0.00 52.86 53.34 1wbl s ASN 64 Cb 0.00 -2.45 -0.03 0.00 0.02 0.00 0.00 41.25 38.80 1wbl s ASN 64 CO 0.00 0.19 -0.13 0.54 0.02 0.00 0.00 177.10 177.72 1wbl s VAL 65 N -0.91 3.18 0.43 1.60 0.11 -1.26 -1.35 120.40 122.20 1wbl s VAL 65 Ca 0.34 -0.67 -0.18 0.00 -2.93 0.00 0.00 61.98 58.54 1wbl s VAL 65 Cb -0.21 -2.27 -0.09 0.00 -1.53 0.00 0.00 36.38 32.27 1wbl s VAL 65 CO 0.23 0.58 0.91 0.00 -3.33 0.00 0.00 175.10 173.49 1wbl s ALA 66 N -0.59 3.12 0.09 1.54 0.00 0.88 -4.74 121.76 122.06 1wbl s ALA 66 Ca 0.09 0.23 0.03 0.00 0.00 0.00 0.00 51.96 52.30 1wbl s ALA 66 Cb -0.11 -3.04 -0.04 0.00 0.00 0.00 0.00 23.12 19.92 1wbl s ALA 66 CO 0.01 0.05 0.13 -1.12 0.00 0.00 0.00 175.76 174.84 1wbl s SER 67 N -2.52 5.77 0.25 0.00 0.01 -1.04 -4.48 113.70 111.70 1wbl s SER 67 Ca 0.59 0.05 -0.08 0.00 1.31 0.00 0.00 55.95 57.82 1wbl s SER 67 Cb -0.10 -1.62 -0.01 0.00 0.21 0.00 0.00 66.02 64.51 1wbl s SER 67 CO 0.20 0.15 0.38 0.72 0.41 0.00 0.00 173.24 175.10 1wbl s PHE 68 N -1.49 0.72 -0.17 2.43 -0.12 -0.99 -0.85 117.98 117.51 1wbl s PHE 68 Ca 0.31 -1.02 -0.16 0.00 -0.05 0.00 0.00 56.93 56.01 1wbl s PHE 68 Cb -0.12 -0.08 0.04 0.00 -0.63 0.00 0.00 43.02 42.24 1wbl s PHE 68 CO 0.24 -0.92 0.46 -2.00 -0.05 0.00 0.00 175.22 172.95 1wbl s GLU 69 N -3.89 0.54 -0.08 1.99 2.12 0.69 -1.32 118.70 118.75 1wbl s GLU 69 Ca 0.29 0.62 -0.06 0.00 0.36 0.00 0.00 54.97 56.18 1wbl s GLU 69 Cb 0.02 0.26 0.03 0.00 0.26 0.00 0.00 34.13 34.70 1wbl s GLU 69 CO 0.12 -0.07 0.20 -0.08 -0.54 0.00 0.00 175.26 174.89 1wbl s THR 70 N 0.21 -0.02 -0.06 -1.70 -1.32 0.21 -0.84 115.64 112.13 1wbl s THR 70 Ca -0.00 0.06 0.03 0.00 -1.21 0.00 0.00 61.69 60.56 1wbl s THR 70 Cb -0.03 -0.29 0.01 0.00 -1.51 0.00 0.00 72.50 70.68 1wbl s THR 70 CO 0.01 0.02 -0.13 -0.13 -2.21 0.00 0.00 174.62 172.18 1wbl s ARG 71 N 0.50 1.65 0.10 7.08 0.52 -0.51 -0.45 118.95 127.84 1wbl s ARG 71 Ca -0.03 -0.45 -0.09 0.00 -0.52 0.00 0.00 55.73 54.64 1wbl s ARG 71 Cb -0.05 -1.39 -0.00 0.00 0.52 0.00 0.00 34.95 34.03 1wbl s ARG 71 CO -0.02 0.09 0.21 -0.59 0.02 0.00 0.00 175.30 175.00 1wbl s PHE 72 N 0.46 0.19 -0.13 -0.53 -0.12 -0.87 -0.95 117.98 116.03 1wbl s PHE 72 Ca -0.11 -0.61 0.01 0.00 -0.05 0.00 0.00 56.93 56.18 1wbl s PHE 72 Cb -0.14 -0.06 0.02 0.00 -0.63 0.00 0.00 43.02 42.21 1wbl s PHE 72 CO 0.03 -0.57 -0.16 -1.12 -0.05 0.00 0.00 175.22 173.35 1wbl s SER 73 N -2.88 2.60 0.32 1.98 0.01 -1.12 -1.02 113.70 113.61 1wbl s SER 73 Ca 0.07 -0.47 0.00 0.00 1.31 0.00 0.00 55.95 56.86 1wbl s SER 73 Cb 0.05 -1.16 0.00 0.00 0.21 0.00 0.00 66.02 65.12 1wbl s SER 73 CO -0.09 -0.00 0.03 2.22 0.41 0.00 0.00 173.24 175.80 1wbl n PHE 74 N 4.39 0.58 -3.64 2.43 1.16 -0.68 0.12 117.46 121.82 1wbl n PHE 74 Ca -0.18 -1.57 -0.07 0.00 -1.87 0.00 0.00 57.45 53.75 1wbl n PHE 74 Cb 0.51 -0.22 -0.07 0.00 -1.61 0.00 0.00 39.48 38.09 1wbl n PHE 74 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 1wbl s SER 75 N -2.79 -0.93 -0.18 5.98 0.15 -0.53 -1.33 113.70 114.06 1wbl s SER 75 Ca 0.02 1.51 0.01 0.00 0.70 0.00 0.00 55.95 58.18 1wbl s SER 75 Cb -0.00 1.39 0.04 0.00 -1.71 0.00 0.00 66.02 65.74 1wbl s SER 75 CO 0.01 -0.24 -0.12 -0.63 1.20 0.00 0.00 173.24 173.47 1wbl s ILE 76 N 1.55 1.60 -0.23 6.45 1.01 -1.26 -1.66 121.20 128.67 1wbl s ILE 76 Ca -0.09 -0.86 -0.06 0.00 0.00 0.00 0.00 60.65 59.64 1wbl s ILE 76 Cb -0.05 -1.62 -0.02 0.00 0.01 0.00 0.00 42.46 40.78 1wbl s ILE 76 CO -0.19 0.27 0.02 -0.13 0.00 0.00 0.00 174.94 174.92 1wbl s ARG 77 N 1.44 3.55 -0.79 2.79 3.00 -1.26 -0.97 118.95 126.71 1wbl s ARG 77 Ca 0.01 -0.53 -0.10 0.00 0.00 0.00 0.00 55.73 55.11 1wbl s ARG 77 Cb -0.15 -3.19 0.21 0.00 0.00 0.00 0.00 34.95 31.82 1wbl s ARG 77 CO -0.09 -0.17 0.70 -0.65 0.00 0.00 0.00 175.30 175.08 1wbl s GLN 78 N 1.50 3.34 0.08 3.54 -0.21 -1.26 -1.35 119.66 125.30 1wbl s GLN 78 Ca 0.06 -2.56 -0.24 0.00 0.02 0.00 0.00 55.36 52.63 1wbl s GLN 78 Cb -0.15 -4.22 -0.16 0.00 1.00 0.00 0.00 33.01 29.48 1wbl s GLN 78 CO 0.01 -1.25 1.68 -1.35 -2.12 0.00 0.00 175.29 172.26 1wbl h PRO 79 N 7.42 -0.06 -5.62 2.91 0.11 -1.97 -3.39 132.00 131.41 1wbl h PRO 79 Ca 0.08 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.57 1wbl h PRO 79 Cb 1.00 0.01 -0.13 0.00 0.11 0.00 0.00 31.00 31.99 1wbl h PRO 79 CO 0.76 0.01 0.25 -0.06 -0.21 0.00 0.00 178.00 178.74 1wbl s PHE 80 N -5.98 3.09 -0.18 0.65 0.08 -1.26 -4.93 117.98 109.45 1wbl s PHE 80 Ca -0.14 0.31 0.22 0.00 0.12 0.00 0.00 56.93 57.44 1wbl s PHE 80 Cb 0.05 -3.35 -0.32 0.00 -0.57 0.00 0.00 43.02 38.84 1wbl s PHE 80 CO 0.66 -0.77 0.55 -0.35 -0.10 0.00 0.00 175.22 175.22 1wbl n PRO 81 N 6.32 0.56 -0.04 0.24 -0.04 -1.26 -4.54 135.00 136.24 1wbl n PRO 81 Ca 0.01 -0.16 -0.13 0.00 -0.04 0.00 0.00 63.50 63.17 1wbl n PRO 81 Cb 0.48 -1.52 -0.08 0.00 -0.04 0.00 0.00 33.50 32.34 1wbl n PRO 81 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1wbl h ARG 82 N 0.00 0.19 0.00 0.54 2.43 -1.94 -3.39 114.38 112.22 1wbl h ARG 82 Ca 0.00 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1wbl h ARG 82 Cb 0.92 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 1wbl h ARG 82 CO 0.00 0.58 0.00 -2.30 -1.51 0.00 0.00 179.97 176.74 1wbl n PRO 83 N -4.72 0.00 0.00 0.20 -0.02 -1.26 -5.03 135.00 124.17 1wbl n PRO 83 Ca -0.07 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 1wbl n PRO 83 Cb 0.28 -1.16 0.00 0.00 -0.02 0.00 0.00 33.50 32.60 1wbl n PRO 83 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 1wbl n HIS 84 N -1.84 0.00 -1.67 6.00 1.44 -1.26 -5.09 115.22 112.80 1wbl n HIS 84 Ca 0.00 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.40 1wbl n HIS 84 Cb 0.00 0.00 0.04 0.00 0.12 0.00 0.00 29.99 30.15 1wbl n HIS 84 CO 0.00 0.00 0.00 -2.14 -2.81 0.00 0.00 176.34 171.39 1wbl s PRO 85 N 0.00 2.99 0.04 -1.40 0.02 -1.26 -3.81 135.00 131.57 1wbl s PRO 85 Ca 0.00 1.03 -0.27 0.00 0.02 0.00 0.00 61.00 61.78 1wbl s PRO 85 Cb 0.00 -1.99 0.08 0.00 0.02 0.00 0.00 34.50 32.60 1wbl s PRO 85 CO 0.00 -1.06 0.68 0.00 -0.33 0.00 0.00 177.00 176.29 1wbl s ALA 86 N -2.89 -1.71 0.00 -1.55 0.00 -1.26 -4.01 121.76 110.34 1wbl s ALA 86 Ca 0.60 0.94 0.00 0.00 0.00 0.00 0.00 51.96 53.49 1wbl s ALA 86 Cb -0.15 0.39 0.00 0.00 0.00 0.00 0.00 23.12 23.36 1wbl s ALA 86 CO 0.51 -0.57 0.00 -0.25 0.00 0.00 0.00 175.76 175.44 1wbl n ASP 87 N 0.22 4.75 0.00 0.00 9.92 0.41 -3.79 116.55 128.06 1wbl n ASP 87 Ca -0.17 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.09 1wbl n ASP 87 Cb 0.61 0.93 0.00 0.00 -0.64 0.00 0.00 41.12 42.02 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 2.40 0.86 3.05 0.44 0.00 -1.20 -1.13 105.19 109.60 1wbl n GLY 88 Ca 0.00 -2.05 -0.08 0.00 0.00 0.00 0.00 46.02 43.90 1wbl n GLY 88 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1wbl s LEU 89 N 0.00 2.37 0.02 0.99 0.05 -0.98 -2.14 118.68 118.99 1wbl s LEU 89 Ca 0.00 -0.79 -0.01 0.00 0.05 0.00 0.00 54.13 53.39 1wbl s LEU 89 Cb 0.00 0.17 -0.02 0.00 -2.05 0.00 0.00 46.19 44.29 1wbl s LEU 89 CO 0.00 -0.48 -0.01 0.68 -0.55 0.00 0.00 176.35 175.99 1wbl s VAL 90 N -2.90 0.10 -0.15 1.48 -7.23 0.40 -1.07 120.40 111.03 1wbl s VAL 90 Ca -0.03 -0.83 -0.10 0.00 -1.81 0.00 0.00 61.98 59.21 1wbl s VAL 90 Cb 0.01 -0.26 -0.05 0.00 0.56 0.00 0.00 36.38 36.64 1wbl s VAL 90 CO -0.06 -0.46 0.20 0.12 -0.31 0.00 0.00 175.10 174.59 1wbl s PHE 91 N -1.36 3.51 0.03 2.82 5.36 -0.75 -1.99 117.98 125.61 1wbl s PHE 91 Ca -0.15 0.52 -0.02 0.00 -0.96 0.00 0.00 56.93 56.31 1wbl s PHE 91 Cb -0.09 -2.15 -0.02 0.00 -0.34 0.00 0.00 43.02 40.42 1wbl s PHE 91 CO -0.01 0.44 0.02 -0.59 -1.46 0.00 0.00 175.22 173.62 1wbl s PHE 92 N -0.15 0.29 -0.16 10.12 -0.71 0.00 -0.95 117.98 126.42 1wbl s PHE 92 Ca 0.14 -0.62 0.01 0.00 -1.04 0.00 0.00 56.93 55.41 1wbl s PHE 92 Cb -0.12 -0.21 0.02 0.00 -1.21 0.00 0.00 43.02 41.49 1wbl s PHE 92 CO 0.03 -0.29 -0.18 0.42 -1.34 0.00 0.00 175.22 173.86 1wbl s ILE 93 N -2.36 1.86 0.29 -4.49 1.01 0.20 -1.22 121.20 116.49 1wbl s ILE 93 Ca -0.07 -0.82 0.02 0.00 0.00 0.00 0.00 60.65 59.78 1wbl s ILE 93 Cb -0.03 -1.69 -0.03 0.00 0.01 0.00 0.00 42.46 40.72 1wbl s ILE 93 CO -0.04 0.51 0.29 0.00 0.00 0.00 0.00 174.94 175.69 1wbl s ALA 94 N 1.31 1.37 0.55 9.38 0.00 -0.32 -0.91 121.76 133.13 1wbl s ALA 94 Ca 0.03 -1.81 -0.21 0.00 0.00 0.00 0.00 51.96 49.97 1wbl s ALA 94 Cb -0.13 1.37 -0.05 0.00 0.00 0.00 0.00 23.12 24.31 1wbl s ALA 94 CO -0.11 -0.68 1.25 -2.14 0.00 0.00 0.00 175.76 174.09 1wbl s PRO 95 N -3.58 3.20 0.43 0.00 0.02 -1.26 -0.17 135.00 133.64 1wbl s PRO 95 Ca 0.37 1.97 -0.25 0.00 0.02 0.00 0.00 61.00 63.12 1wbl s PRO 95 Cb 0.03 -2.16 -0.08 0.00 0.02 0.00 0.00 34.50 32.31 1wbl s PRO 95 CO 0.21 -1.06 1.27 -1.25 -0.33 0.00 0.00 177.00 175.84 1wbl s PRO 96 N -3.03 3.84 -0.57 5.54 0.04 -1.26 -3.81 135.00 135.75 1wbl s PRO 96 Ca 0.72 2.06 -0.02 0.00 0.04 0.00 0.00 61.00 63.81 1wbl s PRO 96 Cb -0.34 -2.62 0.00 0.00 0.04 0.00 0.00 34.50 31.58 1wbl s PRO 96 CO 0.39 -0.57 0.49 0.27 0.04 0.00 0.00 177.00 177.62 1wbl n ASN 97 N -0.13 -2.86 -4.92 6.66 6.94 -1.26 -5.00 115.26 114.69 1wbl n ASN 97 Ca 0.05 -0.26 -0.20 0.00 -0.02 0.00 0.00 54.58 54.14 1wbl n ASN 97 Cb 0.45 -2.58 -0.02 0.00 -2.36 0.00 0.00 39.78 35.27 1wbl n ASN 97 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1wbl s THR 98 N -3.16 3.89 0.27 5.53 -4.23 -1.25 -5.13 115.64 111.57 1wbl s THR 98 Ca 0.11 -1.19 0.11 0.00 -1.18 0.00 0.00 61.69 59.54 1wbl s THR 98 Cb -0.05 -3.33 -0.05 0.00 1.34 0.00 0.00 72.50 70.42 1wbl s THR 98 CO 0.33 -0.18 -0.08 -1.10 -0.54 0.00 0.00 174.62 173.04 1wbl s GLN 99 N -4.07 2.04 -0.06 3.99 -1.52 -1.26 -5.07 119.66 113.72 1wbl s GLN 99 Ca 0.42 -1.56 -0.35 0.00 -1.95 0.00 0.00 55.36 51.91 1wbl s GLN 99 Cb -0.08 -2.00 -0.13 0.00 -0.22 0.00 0.00 33.01 30.58 1wbl s GLN 99 CO 0.29 0.35 1.76 2.41 -0.25 0.00 0.00 175.29 179.84 1wbl n THR 100 N -0.78 0.37 0.00 -0.19 -1.04 -1.26 -4.92 114.28 106.46 1wbl n THR 100 Ca -0.06 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 1wbl n THR 100 Cb 0.59 -1.62 0.00 0.00 -1.82 0.00 0.00 70.33 67.49 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 4.03 0.62 3.79 3.41 0.00 0.07 -4.95 105.19 112.16 1wbl n GLY 101 Ca 0.22 -1.48 -0.32 0.00 0.00 0.00 0.00 46.02 44.44 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 2.73 0.00 1.61 2.56 -0.79 -4.53 118.70 120.28 1wbl s GLU 102 Ca 0.00 1.18 0.00 0.00 0.00 0.00 0.00 54.97 56.15 1wbl s GLU 102 Cb 0.00 -1.95 0.00 0.00 2.00 0.00 0.00 34.13 34.18 1wbl s GLU 102 CO 0.00 -1.28 0.00 0.41 -0.56 0.00 0.00 175.26 173.83 1wbl n GLY 103 N -1.17 1.48 7.00 -1.50 0.00 -1.26 0.20 105.19 109.94 1wbl n GLY 103 Ca 0.09 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.28 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 3.13 0.00 -0.02 0.00 -1.25 -2.21 105.19 109.85 1wbl n GLY 104 Ca 0.00 -0.29 0.05 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.50 0.97 -0.02 0.00 -1.26 -1.89 105.19 102.49 1wbl n GLY 105 Ca 0.00 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.09 1wbl n GLY 105 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1wbl n TYR 106 N -1.18 0.12 -0.98 1.61 4.01 -0.94 -4.96 117.16 114.85 1wbl n TYR 106 Ca 0.06 -0.06 -0.06 0.00 -0.16 0.00 0.00 57.90 57.68 1wbl n TYR 106 Cb 0.06 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.07 1wbl n TYR 106 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1wbl n PHE 107 N 1.30 -0.37 -1.05 -0.72 3.72 -0.79 -1.47 117.46 118.07 1wbl n PHE 107 Ca 0.16 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.54 1wbl n PHE 107 Cb 0.58 -1.76 -0.01 0.00 -0.94 0.00 0.00 39.48 37.36 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 0.04 0.53 0.00 1.37 0.00 0.52 -3.41 105.19 104.24 1wbl n GLY 108 Ca -0.06 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.93 0.01 -5.01 -0.61 -5.35 -0.54 -0.76 119.36 104.17 1wbl n ILE 109 Ca -0.02 -0.02 -0.32 0.00 -0.27 0.00 0.00 62.75 62.12 1wbl n ILE 109 Cb 0.07 0.35 -0.15 0.00 -1.74 0.00 0.00 39.64 38.16 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 -2.06 2.65 -0.21 4.28 5.04 -1.18 -4.68 117.35 121.20 1wbl s TYR 110 Ca -0.00 -0.69 0.01 0.00 -2.44 0.00 0.00 57.07 53.94 1wbl s TYR 110 Cb 0.01 -1.72 0.05 0.00 0.35 0.00 0.00 41.96 40.64 1wbl s TYR 110 CO 0.04 -0.21 -0.10 1.21 -1.34 0.00 0.00 175.55 175.15 1wbl s ASN 111 N 0.08 3.49 0.21 4.32 3.84 -1.26 -1.88 114.94 123.74 1wbl s ASN 111 Ca -0.08 -0.94 -0.09 0.00 0.21 0.00 0.00 52.86 51.95 1wbl s ASN 111 Cb -0.15 -1.24 0.26 0.00 -0.55 0.00 0.00 41.25 39.57 1wbl s ASN 111 CO 0.05 -0.16 1.78 -0.65 -2.79 0.00 0.00 177.10 175.33 1wbl h PRO 112 N 7.96 0.53 -0.33 0.43 0.11 -1.99 -1.91 132.00 136.80 1wbl h PRO 112 Ca -0.26 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.65 1wbl h PRO 112 Cb 1.09 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 1wbl h PRO 112 CO 0.47 0.35 -0.44 -0.07 -0.21 0.00 0.00 178.00 178.10 1wbl h LEU 113 N 0.55 0.91 -6.35 2.35 -0.00 -2.06 -3.37 115.31 107.33 1wbl h LEU 113 Ca 0.30 -0.44 -0.59 0.00 -0.00 0.00 0.00 57.88 57.16 1wbl h LEU 113 Cb 0.29 -0.26 -0.39 0.00 -0.00 0.00 0.00 40.66 40.30 1wbl h LEU 113 CO -0.24 1.21 -0.91 -1.54 -0.00 0.00 0.00 178.44 176.96 1wbl n SER 114 N -4.03 0.72 -4.72 -0.43 3.41 -1.18 -5.11 113.62 102.27 1wbl n SER 114 Ca -0.03 -2.71 -0.42 0.00 -0.26 0.00 0.00 58.87 55.45 1wbl n SER 114 Cb 0.57 -0.62 -0.03 0.00 -0.26 0.00 0.00 64.21 63.86 1wbl n SER 114 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 1wbl s PRO 115 N -0.82 4.48 0.27 4.33 0.02 -0.73 -4.62 135.00 137.94 1wbl s PRO 115 Ca 0.33 1.74 0.09 0.00 0.02 0.00 0.00 61.00 63.18 1wbl s PRO 115 Cb 0.08 -3.33 -0.04 0.00 0.02 0.00 0.00 34.50 31.23 1wbl s PRO 115 CO -0.15 -0.15 0.05 1.52 -0.33 0.00 0.00 177.00 177.94 1wbl s TYR 116 N 0.64 2.77 0.53 6.54 -0.85 -1.26 -5.04 117.35 120.67 1wbl s TYR 116 Ca 0.55 -0.22 -0.17 0.00 -0.52 0.00 0.00 57.07 56.71 1wbl s TYR 116 Cb -0.29 -1.28 -0.07 0.00 0.38 0.00 0.00 41.96 40.70 1wbl s TYR 116 CO 0.31 0.57 1.01 -1.25 -1.52 0.00 0.00 175.55 174.67 1wbl s PRO 117 N -3.72 3.77 -0.13 -3.49 0.04 -1.26 -4.92 135.00 125.29 1wbl s PRO 117 Ca 0.32 1.06 -0.30 0.00 0.04 0.00 0.00 61.00 62.13 1wbl s PRO 117 Cb -0.06 -2.11 0.12 0.00 0.04 0.00 0.00 34.50 32.49 1wbl s PRO 117 CO 0.21 -0.42 0.98 -0.59 0.04 0.00 0.00 177.00 177.22 1wbl s PHE 118 N -2.50 -0.36 -0.11 0.56 -0.12 -1.26 -4.02 117.98 110.17 1wbl s PHE 118 Ca 0.61 0.53 0.03 0.00 -0.05 0.00 0.00 56.93 58.06 1wbl s PHE 118 Cb -0.12 0.47 0.01 0.00 -0.63 0.00 0.00 43.02 42.74 1wbl s PHE 118 CO 0.31 -0.38 -0.21 0.08 -0.05 0.00 0.00 175.22 174.97 1wbl s VAL 119 N -1.55 1.91 0.02 -2.49 1.01 -0.09 0.24 120.40 119.45 1wbl s VAL 119 Ca -0.00 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.05 1wbl s VAL 119 Cb -0.01 -1.67 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 1wbl s VAL 119 CO -0.01 0.52 0.00 0.00 0.00 0.00 0.00 175.10 175.62 1wbl s ALA 120 N 0.57 0.09 -0.34 5.51 0.00 0.91 -0.63 121.76 127.86 1wbl s ALA 120 Ca -0.14 -0.60 -0.03 0.00 0.00 0.00 0.00 51.96 51.19 1wbl s ALA 120 Cb -0.17 0.17 0.07 0.00 0.00 0.00 0.00 23.12 23.18 1wbl s ALA 120 CO 0.04 -0.20 0.08 0.08 0.00 0.00 0.00 175.76 175.76 1wbl s VAL 121 N -1.81 3.21 0.27 0.00 1.01 -0.12 0.10 120.40 123.06 1wbl s VAL 121 Ca -0.12 -1.55 -0.02 0.00 0.00 0.00 0.00 61.98 60.29 1wbl s VAL 121 Cb -0.07 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 1wbl s VAL 121 CO -0.02 -0.30 0.49 -1.83 0.00 0.00 0.00 175.10 173.44 1wbl s GLU 122 N 1.24 3.55 -0.45 2.72 -1.05 0.22 -1.81 118.70 123.12 1wbl s GLU 122 Ca -0.00 -0.21 0.02 0.00 -0.15 0.00 0.00 54.97 54.63 1wbl s GLU 122 Cb -0.21 -2.72 0.14 0.00 -0.44 0.00 0.00 34.13 30.90 1wbl s GLU 122 CO -0.01 0.27 0.26 -0.06 0.95 0.00 0.00 175.26 176.67 1wbl s PHE 123 N -2.06 1.99 0.01 4.83 0.08 -0.23 -0.58 117.98 122.01 1wbl s PHE 123 Ca 0.41 -2.46 -0.25 0.00 0.12 0.00 0.00 56.93 54.75 1wbl s PHE 123 Cb -0.10 -1.84 -0.05 0.00 -0.57 0.00 0.00 43.02 40.46 1wbl s PHE 123 CO 0.31 -0.77 0.77 0.34 -0.10 0.00 0.00 175.22 175.77 1wbl s ASP 124 N 0.22 7.17 -0.06 1.36 -1.08 -0.40 -2.31 116.67 121.58 1wbl s ASP 124 Ca 0.19 1.40 0.08 0.00 -0.52 0.00 0.00 52.55 53.70 1wbl s ASP 124 Cb -0.21 -2.46 -0.11 0.00 -1.46 0.00 0.00 42.92 38.68 1wbl s ASP 124 CO -0.03 -0.04 0.07 0.35 0.52 0.00 0.00 175.17 176.05 1wbl n THR 125 N 3.14 0.39 -4.28 1.71 -2.24 -0.29 -2.19 114.28 110.52 1wbl n THR 125 Ca -0.01 -0.30 -0.34 0.00 -2.27 0.00 0.00 64.05 61.13 1wbl n THR 125 Cb 0.51 -0.47 -0.11 0.00 -2.10 0.00 0.00 70.33 68.16 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 -2.31 3.14 -0.78 4.78 5.36 -1.19 -4.72 117.98 122.26 1wbl s PHE 126 Ca -0.04 -0.03 -0.21 0.00 -0.96 0.00 0.00 56.93 55.69 1wbl s PHE 126 Cb 0.03 -1.94 0.09 0.00 -0.34 0.00 0.00 43.02 40.86 1wbl s PHE 126 CO 0.33 0.19 1.07 0.50 -1.46 0.00 0.00 175.22 175.85 1wbl s ARG 127 N -0.05 3.32 0.59 10.12 3.52 -1.26 -4.99 118.95 130.20 1wbl s ARG 127 Ca 0.04 -1.14 -0.10 0.00 -0.13 0.00 0.00 55.73 54.39 1wbl s ARG 127 Cb -0.13 -4.55 0.14 0.00 -1.56 0.00 0.00 34.95 28.85 1wbl s ARG 127 CO 0.02 -1.85 0.67 0.09 -0.81 0.00 0.00 175.30 173.42 1wbl n ASN 128 N 7.49 -0.62 0.01 -2.12 4.13 -1.26 -4.91 115.26 117.98 1wbl n ASN 128 Ca 0.09 -1.10 -0.02 0.00 1.68 0.00 0.00 54.58 55.23 1wbl n ASN 128 Cb 0.47 -0.55 0.24 0.00 -1.54 0.00 0.00 39.78 38.41 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 -1.73 1.24 -0.30 3.41 1.35 -2.02 -2.61 112.91 112.25 1wbl h THR 129 Ca -0.23 -1.07 -0.01 0.00 -0.55 0.00 0.00 66.41 64.56 1wbl h THR 129 Cb 0.66 1.19 -0.00 0.00 -1.73 0.00 0.00 68.15 68.26 1wbl h THR 129 CO 0.16 0.35 0.01 -2.67 -0.25 0.00 0.00 175.52 173.11 1wbl n TRP 130 N -4.19 1.08 -4.31 4.73 2.14 -1.26 -4.95 117.44 110.68 1wbl n TRP 130 Ca 0.00 -0.39 -0.29 0.00 2.07 0.00 0.00 57.50 58.89 1wbl n TRP 130 Cb 0.34 -0.32 -0.11 0.00 -0.81 0.00 0.00 31.31 30.41 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 -0.39 3.86 0.62 -0.67 1.01 -0.99 -4.85 116.67 115.27 1wbl s ASP 131 Ca 0.28 -0.60 0.03 0.00 0.71 0.00 0.00 52.55 52.98 1wbl s ASP 131 Cb 0.21 -0.53 0.09 0.00 1.01 0.00 0.00 42.92 43.70 1wbl s ASP 131 CO 0.08 0.17 0.85 -2.16 0.21 0.00 0.00 175.17 174.32 1wbl s PRO 132 N -2.26 2.13 0.10 8.23 0.04 -1.26 -4.84 135.00 137.14 1wbl s PRO 132 Ca 0.19 -1.20 -0.36 0.00 0.04 0.00 0.00 61.00 59.67 1wbl s PRO 132 Cb -0.10 -2.49 -0.17 0.00 0.04 0.00 0.00 34.50 31.78 1wbl s PRO 132 CO 0.10 -1.03 1.17 0.94 0.04 0.00 0.00 177.00 178.22 1wbl n GLN 133 N -2.48 0.79 -4.09 4.56 0.00 -1.26 -4.88 117.38 110.02 1wbl n GLN 133 Ca 0.13 0.28 -0.24 0.00 -0.00 0.00 0.00 57.00 57.17 1wbl n GLN 133 Cb 0.60 -1.80 -0.05 0.00 0.00 0.00 0.00 30.24 28.99 1wbl n GLN 133 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.06 178.02 1wbl s ILE 134 N 0.07 4.52 0.90 1.69 -5.25 -1.26 -4.43 121.20 117.43 1wbl s ILE 134 Ca 0.82 -1.20 -0.12 0.00 -0.99 0.00 0.00 60.65 59.16 1wbl s ILE 134 Cb -1.00 -3.37 0.13 0.00 2.95 0.00 0.00 42.46 41.17 1wbl s ILE 134 CO 0.52 -0.22 1.10 -2.84 -1.79 0.00 0.00 174.94 171.71 1wbl s PRO 135 N -3.44 1.27 -0.11 0.37 0.02 -1.26 -4.99 135.00 126.86 1wbl s PRO 135 Ca 0.32 0.66 -0.30 0.00 0.02 0.00 0.00 61.00 61.70 1wbl s PRO 135 Cb -0.09 -1.82 0.10 0.00 0.02 0.00 0.00 34.50 32.71 1wbl s PRO 135 CO 0.24 -2.19 0.85 -3.38 -0.33 0.00 0.00 177.00 172.19 1wbl s HIS 136 N -3.03 -0.51 0.22 6.54 -3.43 -0.93 -3.09 115.29 111.06 1wbl s HIS 136 Ca 0.63 0.88 -0.08 0.00 -0.80 0.00 0.00 55.06 55.69 1wbl s HIS 136 Cb -0.17 0.43 -0.06 0.00 -1.43 0.00 0.00 32.58 31.35 1wbl s HIS 136 CO 0.56 -0.47 0.51 0.42 -2.00 0.00 0.00 174.74 173.76 1wbl s ILE 137 N -1.13 5.00 0.00 -5.38 1.01 0.19 -1.27 121.20 119.62 1wbl s ILE 137 Ca -0.06 0.30 -0.16 0.00 0.00 0.00 0.00 60.65 60.72 1wbl s ILE 137 Cb -0.00 -3.64 0.03 0.00 0.01 0.00 0.00 42.46 38.86 1wbl s ILE 137 CO 0.06 -0.08 0.35 -0.83 0.00 0.00 0.00 174.94 174.44 1wbl s GLY 138 N -2.50 -0.20 -0.26 6.18 0.00 0.25 -1.55 107.32 109.23 1wbl s GLY 138 Ca 0.45 0.35 -0.06 0.00 0.00 0.00 0.00 44.72 45.46 1wbl s GLY 138 CO 0.23 0.12 0.04 -0.42 0.00 0.00 0.00 173.10 173.08 1wbl s ILE 139 N -1.69 3.89 -0.10 0.90 1.01 -0.92 -0.61 121.20 123.66 1wbl s ILE 139 Ca -0.11 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.04 1wbl s ILE 139 Cb -0.03 -2.90 -0.02 0.00 0.01 0.00 0.00 42.46 39.52 1wbl s ILE 139 CO 0.03 0.24 -0.14 -1.81 0.00 0.00 0.00 174.94 173.25 1wbl s ASP 140 N 1.52 3.97 -0.24 3.58 1.01 0.12 -0.14 116.67 126.49 1wbl s ASP 140 Ca 0.04 -0.30 0.01 0.00 0.71 0.00 0.00 52.55 53.01 1wbl s ASP 140 Cb -0.16 -1.36 0.06 0.00 1.01 0.00 0.00 42.92 42.47 1wbl s ASP 140 CO 0.01 0.22 -0.05 -0.69 0.21 0.00 0.00 175.17 174.88 1wbl s VAL 141 N 0.01 1.51 -0.50 -1.27 1.01 -1.26 -0.06 120.40 119.83 1wbl s VAL 141 Ca -0.04 -1.23 0.00 0.00 0.00 0.00 0.00 61.98 60.71 1wbl s VAL 141 Cb -0.14 -1.79 0.00 0.00 0.00 0.00 0.00 36.38 34.44 1wbl s VAL 141 CO 0.04 -0.12 0.00 0.59 0.00 0.00 0.00 175.10 175.61 1wbl n ASN 142 N 4.68 -4.90 -3.77 3.32 3.02 0.14 -4.85 115.26 112.90 1wbl n ASN 142 Ca -0.11 0.12 -0.09 0.00 -0.03 0.00 0.00 54.58 54.46 1wbl n ASN 142 Cb 0.44 -3.31 -0.03 0.00 -0.61 0.00 0.00 39.78 36.26 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 -1.89 -0.28 0.00 6.41 0.15 -1.26 -4.89 113.70 111.95 1wbl s SER 143 Ca 0.00 -0.52 0.22 0.00 0.70 0.00 0.00 55.95 56.36 1wbl s SER 143 Cb 0.00 0.63 -0.01 0.00 -1.71 0.00 0.00 66.02 64.93 1wbl s SER 143 CO 0.00 -1.14 1.09 0.52 1.20 0.00 0.00 173.24 174.90 1wbl n VAL 144 N -0.39 0.00 -3.17 4.45 0.31 -1.26 -4.64 118.33 113.63 1wbl n VAL 144 Ca -0.08 -0.27 -0.45 0.00 -0.01 0.00 0.00 64.34 63.53 1wbl n VAL 144 Cb 0.62 1.26 -0.04 0.00 -0.91 0.00 0.00 33.84 34.77 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 -2.45 5.04 0.26 2.52 2.07 -1.26 -5.01 121.20 122.36 1wbl s ILE 145 Ca 0.19 -1.43 -0.28 0.00 -1.41 0.00 0.00 60.65 57.71 1wbl s ILE 145 Cb 0.18 -4.49 -0.15 0.00 0.13 0.00 0.00 42.46 38.14 1wbl s ILE 145 CO 0.56 -1.10 0.93 -1.20 -1.91 0.00 0.00 174.94 172.22 1wbl n SER 146 N 5.70 0.81 0.08 4.50 7.64 -1.26 -4.79 113.62 126.30 1wbl n SER 146 Ca -0.03 1.17 -0.11 0.00 1.01 0.00 0.00 58.87 60.91 1wbl n SER 146 Cb 0.43 -1.22 -0.05 0.00 -1.01 0.00 0.00 64.21 62.36 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 1.85 1.50 -3.95 0.44 1.35 -0.93 -3.45 112.91 109.72 1wbl h THR 147 Ca -0.38 -2.77 -0.31 0.00 -0.55 0.00 0.00 66.41 62.41 1wbl h THR 147 Cb 1.36 2.60 -0.24 0.00 -1.73 0.00 0.00 68.15 70.14 1wbl h THR 147 CO 0.61 0.81 -0.75 -0.75 -0.25 0.00 0.00 175.52 175.19 1wbl s LYS 148 N -3.05 0.54 -0.00 4.72 2.47 -1.25 -5.01 119.74 118.16 1wbl s LYS 148 Ca -0.03 -0.56 0.01 0.00 -1.56 0.00 0.00 55.97 53.83 1wbl s LYS 148 Cb 0.09 -0.41 -0.00 0.00 -1.46 0.00 0.00 37.83 36.06 1wbl s LYS 148 CO 0.85 0.09 -0.03 0.99 0.16 0.00 0.00 175.35 177.40 1wbl s THR 149 N -0.88 0.27 -0.11 3.43 2.01 -1.26 -2.18 115.64 116.93 1wbl s THR 149 Ca -0.05 -0.14 -0.04 0.00 0.31 0.00 0.00 61.69 61.77 1wbl s THR 149 Cb -0.07 -0.24 0.06 0.00 0.01 0.00 0.00 72.50 72.26 1wbl s THR 149 CO 0.00 0.08 0.22 0.54 -0.69 0.00 0.00 174.62 174.78 1wbl s VAL 150 N -0.04 -0.33 0.75 3.82 0.11 -0.60 -4.98 120.40 119.13 1wbl s VAL 150 Ca 0.01 0.30 -0.11 0.00 -2.93 0.00 0.00 61.98 59.25 1wbl s VAL 150 Cb -0.02 -0.38 0.04 0.00 -1.53 0.00 0.00 36.38 34.49 1wbl s VAL 150 CO -0.00 0.13 1.08 -2.16 -3.33 0.00 0.00 175.10 170.82 1wbl s PRO 151 N 2.29 2.47 -0.14 1.54 0.04 -1.26 0.52 135.00 140.47 1wbl s PRO 151 Ca 0.01 1.12 -0.26 0.00 0.04 0.00 0.00 61.00 61.92 1wbl s PRO 151 Cb -0.12 -1.93 0.06 0.00 0.04 0.00 0.00 34.50 32.56 1wbl s PRO 151 CO -0.07 -1.47 0.64 -0.59 0.04 0.00 0.00 177.00 175.54 1wbl s PHE 152 N -2.91 -0.65 -0.12 0.56 -0.12 -1.18 -4.82 117.98 108.75 1wbl s PHE 152 Ca 0.61 1.35 -0.17 0.00 -0.05 0.00 0.00 56.93 58.67 1wbl s PHE 152 Cb -0.16 0.31 -0.04 0.00 -0.63 0.00 0.00 43.02 42.49 1wbl s PHE 152 CO 0.55 -0.47 0.42 0.99 -0.05 0.00 0.00 175.22 176.66 1wbl s THR 153 N -0.49 5.21 0.37 -4.49 2.01 -1.26 -4.14 115.64 112.85 1wbl s THR 153 Ca -0.06 0.82 -0.25 0.00 0.31 0.00 0.00 61.69 62.51 1wbl s THR 153 Cb -0.03 -3.75 -0.10 0.00 0.01 0.00 0.00 72.50 68.64 1wbl s THR 153 CO 0.05 0.37 0.99 -0.22 -0.69 0.00 0.00 174.62 175.12 1wbl s LEU 154 N 0.43 4.21 -0.87 4.42 2.96 -1.26 -5.00 118.68 123.57 1wbl s LEU 154 Ca 0.23 1.90 -0.14 0.00 -0.22 0.00 0.00 54.13 55.90 1wbl s LEU 154 Cb -0.15 -4.15 0.22 0.00 0.50 0.00 0.00 46.19 42.61 1wbl s LEU 154 CO 0.09 -0.28 0.84 -0.62 -1.32 0.00 0.00 176.35 175.05 1wbl s ASP 155 N -1.67 6.81 -0.59 3.68 2.15 -1.26 -4.99 116.67 120.81 1wbl s ASP 155 Ca 0.55 -2.73 -0.32 0.00 0.43 0.00 0.00 52.55 50.48 1wbl s ASP 155 Cb -0.19 -2.23 -0.14 0.00 -0.30 0.00 0.00 42.92 40.07 1wbl s ASP 155 CO 0.24 -0.59 2.40 -3.20 -0.17 0.00 0.00 175.17 173.85 1wbl n ASN 156 N 4.07 1.53 0.00 -0.34 2.85 -1.26 0.31 115.26 122.42 1wbl n ASN 156 Ca 0.16 0.13 0.00 0.00 -0.11 0.00 0.00 54.58 54.75 1wbl n ASN 156 Cb 0.46 -1.22 0.00 0.00 1.24 0.00 0.00 39.78 40.27 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 6.47 2.55 0.00 8.20 0.00 -0.15 -4.92 105.19 117.34 1wbl n GLY 157 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 -2.00 -2.32 3.67 -0.02 0.00 0.15 -4.79 105.19 99.88 1wbl n GLY 158 Ca 0.00 -1.47 -0.32 0.00 0.00 0.00 0.00 46.02 44.24 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 -0.98 4.01 -0.05 -0.61 1.01 -1.26 -4.37 121.20 118.95 1wbl s ILE 159 Ca 0.00 -0.76 0.04 0.00 0.00 0.00 0.00 60.65 59.93 1wbl s ILE 159 Cb 0.00 -2.82 -0.00 0.00 0.01 0.00 0.00 42.46 39.65 1wbl s ILE 159 CO 0.00 0.30 -0.17 0.00 0.00 0.00 0.00 174.94 175.07 1wbl s ALA 160 N -1.14 1.54 -0.16 9.38 0.00 -0.44 -4.16 121.76 126.78 1wbl s ALA 160 Ca 0.21 -0.67 -0.06 0.00 0.00 0.00 0.00 51.96 51.44 1wbl s ALA 160 Cb -0.11 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.42 1wbl s ALA 160 CO 0.12 0.25 0.03 -0.80 0.00 0.00 0.00 175.76 175.36 1wbl s ASN 161 N 0.17 5.37 -0.02 0.00 0.01 0.27 -1.68 114.94 119.06 1wbl s ASN 161 Ca -0.07 0.04 0.05 0.00 -0.71 0.00 0.00 52.86 52.17 1wbl s ASN 161 Cb -0.13 -1.87 -0.01 0.00 0.41 0.00 0.00 41.25 39.65 1wbl s ASN 161 CO 0.03 0.20 -0.17 -0.69 -1.51 0.00 0.00 177.10 174.96 1wbl s VAL 162 N 0.21 1.37 -0.20 1.60 1.01 -0.18 -0.84 120.40 123.37 1wbl s VAL 162 Ca 0.02 -0.73 -0.01 0.00 0.00 0.00 0.00 61.98 61.26 1wbl s VAL 162 Cb -0.13 -1.15 0.05 0.00 0.00 0.00 0.00 36.38 35.16 1wbl s VAL 162 CO 0.01 0.39 -0.02 -0.69 0.00 0.00 0.00 175.10 174.79 1wbl s VAL 163 N -0.34 0.99 -0.13 2.92 1.01 -0.68 -2.05 120.40 122.11 1wbl s VAL 163 Ca 0.05 -0.76 -0.02 0.00 0.00 0.00 0.00 61.98 61.25 1wbl s VAL 163 Cb -0.07 -1.32 -0.02 0.00 0.00 0.00 0.00 36.38 34.96 1wbl s VAL 163 CO -0.00 -0.07 -0.08 -0.63 0.00 0.00 0.00 175.10 174.32 1wbl s ILE 164 N 1.66 3.53 -0.00 2.22 1.01 0.40 -0.83 121.20 129.18 1wbl s ILE 164 Ca -0.02 -0.50 0.01 0.00 0.00 0.00 0.00 60.65 60.14 1wbl s ILE 164 Cb -0.17 -2.51 -0.00 0.00 0.01 0.00 0.00 42.46 39.79 1wbl s ILE 164 CO -0.07 0.52 -0.02 -0.75 0.00 0.00 0.00 174.94 174.62 1wbl s LYS 165 N 0.15 0.20 -0.09 2.79 2.20 -0.58 -0.61 119.74 123.80 1wbl s LYS 165 Ca -0.04 -0.08 -0.01 0.00 -0.36 0.00 0.00 55.97 55.48 1wbl s LYS 165 Cb -0.14 -0.20 0.03 0.00 -1.51 0.00 0.00 37.83 36.00 1wbl s LYS 165 CO 0.04 0.05 -0.04 -0.47 -0.36 0.00 0.00 175.35 174.56 1wbl s TYR 166 N -0.03 1.04 -0.23 4.03 5.04 -0.43 -1.11 117.35 125.66 1wbl s TYR 166 Ca 0.01 -0.42 -0.13 0.00 -2.44 0.00 0.00 57.07 54.09 1wbl s TYR 166 Cb -0.01 -0.97 -0.04 0.00 0.35 0.00 0.00 41.96 41.28 1wbl s TYR 166 CO -0.00 -0.39 0.29 -0.51 -1.34 0.00 0.00 175.55 173.60 1wbl s ASP 167 N 1.71 6.27 0.31 4.32 1.01 -0.73 -2.36 116.67 127.20 1wbl s ASP 167 Ca 0.03 0.31 0.09 0.00 0.71 0.00 0.00 52.55 53.68 1wbl s ASP 167 Cb -0.13 -2.17 0.52 0.00 1.01 0.00 0.00 42.92 42.15 1wbl s ASP 167 CO -0.06 -0.03 1.72 0.00 0.21 0.00 0.00 175.17 177.01 1wbl h ALA 168 N 7.56 1.17 -0.50 5.23 0.00 -1.85 0.12 119.26 130.99 1wbl h ALA 168 Ca -0.36 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.11 1wbl h ALA 168 Cb 1.17 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1wbl h ALA 168 CO 0.68 0.59 0.28 0.66 0.00 0.00 0.00 179.25 181.45 1wbl h SER 169 N 0.09 0.63 -0.00 0.00 4.64 -1.92 -3.19 113.55 113.79 1wbl h SER 169 Ca 0.00 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1wbl h SER 169 Cb 0.83 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1wbl h SER 169 CO 0.06 0.54 -0.58 0.35 -0.87 0.00 0.00 176.83 176.33 1wbl n THR 170 N -4.65 0.00 -1.37 2.95 -2.24 -1.21 -4.96 114.28 102.80 1wbl n THR 170 Ca 0.02 -0.21 -0.13 0.00 -2.27 0.00 0.00 64.05 61.46 1wbl n THR 170 Cb 0.08 1.05 -0.05 0.00 -2.10 0.00 0.00 70.33 69.31 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 -1.02 -1.03 -2.96 -0.78 5.02 0.42 -4.88 118.16 112.93 1wbl n LYS 171 Ca 0.04 0.93 -0.40 0.00 -2.02 0.00 0.00 58.31 56.85 1wbl n LYS 171 Cb 0.25 -5.02 -0.04 0.00 -0.02 0.00 0.00 35.03 30.19 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 -2.40 4.99 -0.30 -0.18 1.01 -1.19 -0.42 121.20 122.71 1wbl s ILE 172 Ca 0.00 1.59 -0.04 0.00 0.00 0.00 0.00 60.65 62.21 1wbl s ILE 172 Cb 0.00 -4.11 0.03 0.00 0.01 0.00 0.00 42.46 38.39 1wbl s ILE 172 CO 0.00 0.20 0.03 -0.22 0.00 0.00 0.00 174.94 174.95 1wbl s LEU 173 N 1.03 3.87 -0.11 2.97 2.96 -0.15 -1.78 118.68 127.47 1wbl s LEU 173 Ca 0.41 -1.06 0.03 0.00 -0.22 0.00 0.00 54.13 53.28 1wbl s LEU 173 Cb -0.18 -1.78 0.01 0.00 0.50 0.00 0.00 46.19 44.74 1wbl s LEU 173 CO 0.19 -0.24 -0.20 -1.38 -1.32 0.00 0.00 176.35 173.41 1wbl s HIS 174 N 1.35 2.31 -0.03 5.38 -3.43 -0.27 -1.67 115.29 118.94 1wbl s HIS 174 Ca -0.02 -1.06 0.07 0.00 -0.80 0.00 0.00 55.06 53.25 1wbl s HIS 174 Cb -0.19 -1.60 -0.02 0.00 -1.43 0.00 0.00 32.58 29.35 1wbl s HIS 174 CO 0.00 -0.49 -0.24 0.14 -2.00 0.00 0.00 174.74 172.15 1wbl s VAL 175 N 0.73 2.21 -0.01 -5.38 -7.23 0.30 -1.53 120.40 109.48 1wbl s VAL 175 Ca -0.11 -1.05 0.07 0.00 -1.81 0.00 0.00 61.98 59.09 1wbl s VAL 175 Cb -0.16 -1.78 -0.02 0.00 0.56 0.00 0.00 36.38 34.98 1wbl s VAL 175 CO 0.02 0.58 -0.23 -0.69 -0.31 0.00 0.00 175.10 174.46 1wbl s VAL 176 N -0.56 2.30 -0.13 1.32 1.01 -0.01 -1.62 120.40 122.69 1wbl s VAL 176 Ca 0.08 -1.09 -0.00 0.00 0.00 0.00 0.00 61.98 60.97 1wbl s VAL 176 Cb -0.11 -1.84 0.03 0.00 0.00 0.00 0.00 36.38 34.46 1wbl s VAL 176 CO -0.00 0.53 -0.09 -0.22 0.00 0.00 0.00 175.10 175.32 1wbl s LEU 177 N -0.79 1.41 -0.08 3.92 2.96 0.14 -1.69 118.68 124.55 1wbl s LEU 177 Ca 0.11 -0.42 0.02 0.00 -0.22 0.00 0.00 54.13 53.62 1wbl s LEU 177 Cb -0.10 -0.96 0.01 0.00 0.50 0.00 0.00 46.19 45.65 1wbl s LEU 177 CO 0.00 -0.11 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.10 1wbl s VAL 178 N 1.63 1.26 -0.63 1.68 1.01 -0.02 0.59 120.40 125.92 1wbl s VAL 178 Ca 0.04 -0.53 -0.11 0.00 0.00 0.00 0.00 61.98 61.38 1wbl s VAL 178 Cb -0.13 -1.15 0.16 0.00 0.00 0.00 0.00 36.38 35.26 1wbl s VAL 178 CO -0.09 0.39 0.53 -0.36 0.00 0.00 0.00 175.10 175.57 1wbl s PHE 179 N 0.80 3.50 0.22 5.22 0.08 -0.47 -0.57 117.98 126.75 1wbl s PHE 179 Ca -0.12 -1.93 -0.14 0.00 0.12 0.00 0.00 56.93 54.86 1wbl s PHE 179 Cb -0.15 -3.62 0.26 0.00 -0.57 0.00 0.00 43.02 38.93 1wbl s PHE 179 CO 0.02 -0.97 1.60 -1.00 -0.10 0.00 0.00 175.22 174.76 1wbl h PRO 180 N 8.09 -0.04 -0.67 0.24 0.13 -1.85 0.53 132.00 138.42 1wbl h PRO 180 Ca -0.09 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 65.15 1wbl h PRO 180 Cb 1.05 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.14 1wbl h PRO 180 CO 0.84 -0.03 0.45 0.77 -0.23 0.00 0.00 178.00 179.80 1wbl h SER 181 N -0.04 0.42 0.74 1.44 0.02 -1.94 -1.06 113.55 113.13 1wbl h SER 181 Ca 0.33 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 1wbl h SER 181 Cb 0.55 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.02 1wbl h SER 181 CO -0.76 0.25 -1.21 0.18 -1.14 0.00 0.00 176.83 174.15 1wbl n LEU 182 N -4.48 0.65 -1.90 5.07 4.77 -0.01 -4.97 117.00 116.13 1wbl n LEU 182 Ca 0.12 0.23 -0.15 0.00 -0.03 0.00 0.00 56.01 56.18 1wbl n LEU 182 Cb 0.41 -0.05 0.01 0.00 -2.33 0.00 0.00 43.42 41.45 1wbl n LEU 182 CO 0.33 -0.13 -0.09 0.61 -1.33 0.00 0.00 177.39 176.79 1wbl n GLY 183 N 1.21 -0.18 3.66 -0.72 0.00 0.17 -5.00 105.19 104.33 1wbl n GLY 183 Ca -0.01 -0.22 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.85 4.54 -0.06 2.61 -4.23 -1.18 -4.96 115.64 109.50 1wbl s THR 184 Ca 0.11 -0.14 0.05 0.00 -1.18 0.00 0.00 61.69 60.53 1wbl s THR 184 Cb -0.05 -2.98 -0.01 0.00 1.34 0.00 0.00 72.50 70.80 1wbl s THR 184 CO 0.14 0.54 -0.24 -0.63 -0.54 0.00 0.00 174.62 173.89 1wbl s ILE 185 N -0.28 2.18 -0.08 2.99 1.01 -1.26 -1.37 121.20 124.40 1wbl s ILE 185 Ca 0.07 -1.02 0.03 0.00 0.00 0.00 0.00 60.65 59.73 1wbl s ILE 185 Cb -0.12 -1.80 0.01 0.00 0.01 0.00 0.00 42.46 40.55 1wbl s ILE 185 CO 0.02 0.57 -0.16 -0.31 0.00 0.00 0.00 174.94 175.06 1wbl s TYR 186 N -0.13 1.79 -0.04 3.97 2.02 0.20 -4.97 117.35 120.18 1wbl s TYR 186 Ca -0.04 -0.69 0.05 0.00 -0.37 0.00 0.00 57.07 56.02 1wbl s TYR 186 Cb -0.14 -1.26 -0.01 0.00 -0.40 0.00 0.00 41.96 40.15 1wbl s TYR 186 CO 0.04 -0.32 -0.18 -0.08 -1.57 0.00 0.00 175.55 173.44 1wbl s THR 187 N 0.57 1.51 -0.04 -0.71 -1.32 -1.26 0.25 115.64 114.64 1wbl s THR 187 Ca -0.16 -0.78 -0.10 0.00 -1.21 0.00 0.00 61.69 59.44 1wbl s THR 187 Cb -0.16 -1.28 0.02 0.00 -1.51 0.00 0.00 72.50 69.56 1wbl s THR 187 CO 0.05 0.43 0.23 -0.51 -2.21 0.00 0.00 174.62 172.62 1wbl s ILE 188 N -0.12 0.04 0.11 5.08 2.07 -0.64 -5.00 121.20 122.74 1wbl s ILE 188 Ca -0.01 -0.37 -0.19 0.00 -1.41 0.00 0.00 60.65 58.67 1wbl s ILE 188 Cb -0.10 -0.46 0.05 0.00 0.13 0.00 0.00 42.46 42.07 1wbl s ILE 188 CO 0.01 -0.20 0.47 0.00 -1.91 0.00 0.00 174.94 173.31 1wbl s ALA 189 N -0.80 -1.17 0.03 1.50 0.00 -1.26 -0.54 121.76 119.52 1wbl s ALA 189 Ca -0.09 0.23 -0.28 0.00 0.00 0.00 0.00 51.96 51.82 1wbl s ALA 189 Cb -0.05 0.65 0.09 0.00 0.00 0.00 0.00 23.12 23.81 1wbl s ALA 189 CO 0.02 -0.63 0.92 0.34 0.00 0.00 0.00 175.76 176.41 1wbl s ASP 190 N -2.56 -0.31 -0.08 0.00 2.15 -0.67 -4.98 116.67 110.21 1wbl s ASP 190 Ca 0.00 -0.10 -0.18 0.00 0.43 0.00 0.00 52.55 52.70 1wbl s ASP 190 Cb 0.01 0.40 -0.05 0.00 -0.30 0.00 0.00 42.92 42.98 1wbl s ASP 190 CO -0.09 -0.67 0.50 -0.63 -0.17 0.00 0.00 175.17 174.11 1wbl s ILE 191 N -3.13 5.12 -0.05 4.11 1.01 -1.26 -0.98 121.20 126.03 1wbl s ILE 191 Ca 0.07 1.01 -0.02 0.00 0.00 0.00 0.00 60.65 61.71 1wbl s ILE 191 Cb -0.01 -3.83 0.04 0.00 0.01 0.00 0.00 42.46 38.66 1wbl s ILE 191 CO -0.06 0.36 0.09 -0.69 0.00 0.00 0.00 174.94 174.64 1wbl s VAL 192 N 0.32 -0.12 -0.55 2.92 1.01 0.44 -4.96 120.40 119.45 1wbl s VAL 192 Ca 0.27 0.32 -0.20 0.00 0.00 0.00 0.00 61.98 62.37 1wbl s VAL 192 Cb -0.16 -0.18 0.07 0.00 0.00 0.00 0.00 36.38 36.10 1wbl s VAL 192 CO 0.12 0.13 0.75 -0.62 0.00 0.00 0.00 175.10 175.48 1wbl s ASP 193 N 1.77 6.23 0.29 3.32 -1.08 -1.26 -4.75 116.67 121.19 1wbl s ASP 193 Ca -0.01 -0.92 -0.00 0.00 -0.52 0.00 0.00 52.55 51.09 1wbl s ASP 193 Cb -0.12 -2.34 0.45 0.00 -1.46 0.00 0.00 42.92 39.45 1wbl s ASP 193 CO -0.04 -1.07 1.87 -0.07 0.52 0.00 0.00 175.17 176.37 1wbl h LEU 194 N 10.22 0.77 -0.80 -1.34 3.38 -1.95 -2.64 115.31 122.95 1wbl h LEU 194 Ca -0.28 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.52 1wbl h LEU 194 Cb 1.09 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 1wbl h LEU 194 CO 1.04 0.71 0.22 0.50 0.09 0.00 0.00 178.44 181.00 1wbl h LYS 195 N 0.82 1.12 0.00 1.13 3.64 -1.91 0.26 116.57 121.63 1wbl h LYS 195 Ca 0.19 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1wbl h LYS 195 Cb 0.20 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1wbl h LYS 195 CO -0.01 0.96 0.00 0.37 -2.27 0.00 0.00 179.45 178.49 1wbl h GLN 196 N 1.08 0.00 0.00 1.90 5.75 -1.91 -3.37 115.11 118.55 1wbl h GLN 196 Ca 0.23 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.68 1wbl h GLN 196 Cb 0.31 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.85 1wbl h GLN 196 CO -0.01 0.00 -1.20 1.33 -2.65 0.00 0.00 178.83 176.30 1wbl n VAL 197 N -2.54 0.20 -4.35 2.39 0.24 -0.99 -5.08 118.33 108.20 1wbl n VAL 197 Ca 0.03 -0.11 -0.24 0.00 -2.04 0.00 0.00 64.34 61.98 1wbl n VAL 197 Cb 0.35 -0.84 -0.12 0.00 -1.47 0.00 0.00 33.84 31.76 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 -4.50 2.41 1.02 1.34 1.43 0.88 -4.70 118.68 116.55 1wbl s LEU 198 Ca -0.02 -0.83 -0.16 0.00 -1.03 0.00 0.00 54.13 52.09 1wbl s LEU 198 Cb 0.01 -0.95 0.20 0.00 0.03 0.00 0.00 46.19 45.49 1wbl s LEU 198 CO 0.11 0.03 1.19 -2.16 0.23 0.00 0.00 176.35 175.75 1wbl s PRO 199 N -2.58 0.26 0.17 1.29 0.04 -1.26 -4.48 135.00 128.44 1wbl s PRO 199 Ca 0.15 -0.03 -0.17 0.00 0.04 0.00 0.00 61.00 60.99 1wbl s PRO 199 Cb -0.07 -1.77 0.11 0.00 0.04 0.00 0.00 34.50 32.81 1wbl s PRO 199 CO 0.07 -2.73 1.66 0.93 0.04 0.00 0.00 177.00 176.97 1wbl h GLU 200 N -1.88 -0.00 -6.05 4.56 5.08 -1.95 -3.41 114.58 110.93 1wbl h GLU 200 Ca -0.47 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.21 1wbl h GLU 200 Cb 1.29 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.35 1wbl h GLU 200 CO 0.46 -0.00 -0.68 -1.12 -1.00 0.00 0.00 179.01 176.67 1wbl s SER 201 N -5.22 4.74 0.28 1.42 0.01 -1.26 -0.25 113.70 113.43 1wbl s SER 201 Ca -0.14 -0.01 0.04 0.00 1.31 0.00 0.00 55.95 57.15 1wbl s SER 201 Cb 0.15 -1.26 -0.03 0.00 0.21 0.00 0.00 66.02 65.08 1wbl s SER 201 CO 0.71 0.35 0.21 0.68 0.41 0.00 0.00 173.24 175.60 1wbl s VAL 202 N -0.73 0.05 -0.12 3.43 -7.23 -0.41 -4.13 120.40 111.25 1wbl s VAL 202 Ca 0.11 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.30 1wbl s VAL 202 Cb -0.11 -2.50 -0.00 0.00 0.56 0.00 0.00 36.38 34.32 1wbl s VAL 202 CO 0.02 0.00 -0.19 0.20 -0.31 0.00 0.00 175.10 174.82 1wbl s ASN 203 N -3.30 3.48 -0.09 4.85 0.02 0.75 -0.73 114.94 119.93 1wbl s ASN 203 Ca 0.39 -0.48 -0.01 0.00 -1.02 0.00 0.00 52.86 51.74 1wbl s ASN 203 Cb 0.04 -1.50 -0.03 0.00 0.02 0.00 0.00 41.25 39.78 1wbl s ASN 203 CO 0.20 0.14 -0.02 0.68 0.02 0.00 0.00 177.10 178.12 1wbl s VAL 204 N 0.48 4.08 0.00 1.60 -7.23 -1.26 -1.17 120.40 116.90 1wbl s VAL 204 Ca -0.13 -0.33 0.00 0.00 -1.81 0.00 0.00 61.98 59.72 1wbl s VAL 204 Cb -0.17 -2.71 0.00 0.00 0.56 0.00 0.00 36.38 34.06 1wbl s VAL 204 CO 0.05 0.59 0.00 0.61 -0.31 0.00 0.00 175.10 176.04 1wbl n GLY 205 N 2.38 1.53 3.37 2.32 0.00 -0.35 -1.84 105.19 112.59 1wbl n GLY 205 Ca -0.18 -0.70 -0.19 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.84 1.72 0.04 1.61 0.40 -0.51 -0.82 117.98 117.58 1wbl s PHE 206 Ca 0.00 -0.78 -0.27 0.00 -0.60 0.00 0.00 56.93 55.29 1wbl s PHE 206 Cb 0.00 -0.96 0.07 0.00 0.51 0.00 0.00 43.02 42.64 1wbl s PHE 206 CO 0.00 0.15 0.63 0.45 0.70 0.00 0.00 175.22 177.15 1wbl s SER 207 N -3.35 -0.59 0.25 1.36 0.15 -0.84 -1.19 113.70 109.48 1wbl s SER 207 Ca 0.27 0.38 -0.15 0.00 0.70 0.00 0.00 55.95 57.15 1wbl s SER 207 Cb 0.04 0.55 0.01 0.00 -1.71 0.00 0.00 66.02 64.91 1wbl s SER 207 CO 0.09 -0.75 0.54 0.00 1.20 0.00 0.00 173.24 174.32 1wbl s ALA 208 N -2.29 -0.57 0.08 5.45 0.00 -0.84 -0.46 121.76 123.13 1wbl s ALA 208 Ca -0.06 -0.66 -0.21 0.00 0.00 0.00 0.00 51.96 51.04 1wbl s ALA 208 Cb -0.00 0.98 0.05 0.00 0.00 0.00 0.00 23.12 24.15 1wbl s ALA 208 CO -0.00 -0.89 0.49 0.00 0.00 0.00 0.00 175.76 175.36 1wbl s ALA 209 N -3.98 -1.25 0.52 0.00 0.00 -0.91 -2.99 121.76 113.16 1wbl s ALA 209 Ca 0.18 0.42 0.02 0.00 0.00 0.00 0.00 51.96 52.58 1wbl s ALA 209 Cb -0.02 0.51 -0.00 0.00 0.00 0.00 0.00 23.12 23.61 1wbl s ALA 209 CO 0.07 -0.56 0.09 0.95 0.00 0.00 0.00 175.76 176.31 1wbl s THR 210 N -2.91 1.26 0.18 0.00 -4.23 -0.47 -0.45 115.64 109.02 1wbl s THR 210 Ca -0.03 -1.89 -0.32 0.00 -1.18 0.00 0.00 61.69 58.27 1wbl s THR 210 Cb -0.00 -2.15 -0.15 0.00 1.34 0.00 0.00 72.50 71.54 1wbl s THR 210 CO -0.05 0.00 1.16 0.61 -0.54 0.00 0.00 174.62 175.80 1wbl n GLY 211 N -1.38 0.05 3.76 3.99 0.00 0.68 -3.74 105.19 108.56 1wbl n GLY 211 Ca -0.15 0.52 -0.40 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.03 7.53 0.49 1.61 2.15 -1.26 0.10 116.67 127.25 1wbl s ASP 212 Ca 0.72 1.82 0.22 0.00 0.43 0.00 0.00 52.55 55.74 1wbl s ASP 212 Cb -0.83 -2.56 1.26 0.00 -0.30 0.00 0.00 42.92 40.48 1wbl s ASP 212 CO 0.53 0.16 1.97 -0.65 -0.17 0.00 0.00 175.17 177.00 1wbl h PRO 213 N 4.14 0.16 -0.04 4.34 0.11 -1.94 -1.17 132.00 137.61 1wbl h PRO 213 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1wbl h PRO 213 Cb 1.20 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1wbl h PRO 213 CO 0.67 0.11 0.00 -1.13 -0.21 0.00 0.00 178.00 177.44 1wbl n SER 214 N -4.41 0.04 -0.03 -2.05 3.41 -1.26 -1.09 113.62 108.22 1wbl n SER 214 Ca 0.12 -0.68 0.02 0.00 -0.26 0.00 0.00 58.87 58.07 1wbl n SER 214 Cb 0.58 -0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 64.49 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 -0.11 0.39 4.55 5.00 0.00 -0.44 -5.01 105.19 109.57 1wbl n GLY 215 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.93 0.00 -2.58 1.61 5.02 -0.25 -4.91 118.16 116.12 1wbl n LYS 216 Ca 0.01 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.88 1wbl n LYS 216 Cb 0.08 -1.79 -0.03 0.00 -0.02 0.00 0.00 35.03 33.27 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 3.40 0.20 1.97 -1.52 -1.26 -4.82 119.66 117.63 1wbl s GLN 217 Ca 0.00 0.07 0.22 0.00 -1.95 0.00 0.00 55.36 53.71 1wbl s GLN 217 Cb 0.00 -4.07 0.90 0.00 -0.22 0.00 0.00 33.01 29.62 1wbl s GLN 217 CO 0.00 -1.84 1.68 -2.13 -0.25 0.00 0.00 175.29 172.75 1wbl n ARG 218 N 8.74 0.16 -0.06 2.91 0.63 -1.26 -2.09 116.66 125.70 1wbl n ARG 218 Ca 0.07 0.35 0.12 0.00 -0.92 0.00 0.00 57.85 57.47 1wbl n ARG 218 Cb 0.49 -1.78 0.41 0.00 0.45 0.00 0.00 32.46 32.02 1wbl n ARG 218 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1wbl n ASN 219 N -2.08 1.73 -4.33 6.15 4.13 -1.26 -4.51 115.26 115.08 1wbl n ASN 219 Ca 0.03 -1.66 -0.43 0.00 1.68 0.00 0.00 54.58 54.20 1wbl n ASN 219 Cb 0.24 -0.07 0.00 0.00 -1.54 0.00 0.00 39.78 38.41 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 0.36 4.15 -3.83 5.41 0.00 -0.89 -4.55 120.51 121.16 1wbl n ALA 220 Ca 0.17 -3.91 -0.06 0.00 0.00 0.00 0.00 53.44 49.64 1wbl n ALA 220 Cb 0.36 -3.52 -0.00 0.00 0.00 0.00 0.00 19.45 16.29 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 3.58 0.00 0.02 0.00 -1.32 -1.26 -0.23 115.64 116.44 1wbl s THR 221 Ca 0.51 -0.90 -0.28 0.00 -1.21 0.00 0.00 61.69 59.80 1wbl s THR 221 Cb 0.06 -2.31 0.10 0.00 -1.51 0.00 0.00 72.50 68.84 1wbl s THR 221 CO 0.03 0.00 1.23 -1.83 -2.21 0.00 0.00 174.62 171.84 1wbl s GLU 222 N -3.23 0.57 0.54 7.08 -1.05 -1.25 -4.28 118.70 117.08 1wbl s GLU 222 Ca 0.13 -0.35 0.00 0.00 -0.15 0.00 0.00 54.97 54.60 1wbl s GLU 222 Cb -0.05 0.17 0.02 0.00 -0.44 0.00 0.00 34.13 33.84 1wbl s GLU 222 CO 0.07 -0.27 0.77 0.95 0.95 0.00 0.00 175.26 177.73 1wbl s THR 223 N -2.21 3.01 -0.44 1.83 -4.23 -0.46 -4.80 115.64 108.34 1wbl s THR 223 Ca 0.23 -0.57 0.05 0.00 -1.18 0.00 0.00 61.69 60.22 1wbl s THR 223 Cb 0.01 -3.14 0.17 0.00 1.34 0.00 0.00 72.50 70.88 1wbl s THR 223 CO -0.01 -0.10 0.51 -1.00 -0.54 0.00 0.00 174.62 173.48 1wbl s HIS 224 N -2.75 -0.38 -0.03 3.99 0.09 -1.26 -4.02 115.29 110.93 1wbl s HIS 224 Ca 0.55 -1.21 -0.01 0.00 -0.00 0.00 0.00 55.06 54.39 1wbl s HIS 224 Cb -0.10 -0.27 -0.04 0.00 -0.00 0.00 0.00 32.58 32.17 1wbl s HIS 224 CO 0.39 -1.05 0.06 -0.51 -0.00 0.00 0.00 174.74 173.63 1wbl s ASP 225 N 0.75 5.58 -0.34 1.40 1.01 -0.66 -1.65 116.67 122.76 1wbl s ASP 225 Ca 0.27 0.16 -0.03 0.00 0.71 0.00 0.00 52.55 53.66 1wbl s ASP 225 Cb -0.02 -1.60 0.07 0.00 1.01 0.00 0.00 42.92 42.37 1wbl s ASP 225 CO -0.10 0.31 0.08 -0.63 0.21 0.00 0.00 175.17 175.04 1wbl s ILE 226 N -1.10 3.24 -0.01 0.77 1.09 -0.37 -1.45 121.20 123.37 1wbl s ILE 226 Ca 0.20 -1.53 -0.24 0.00 -1.10 0.00 0.00 60.65 57.97 1wbl s ILE 226 Cb -0.12 -2.97 -0.17 0.00 -1.06 0.00 0.00 42.46 38.15 1wbl s ILE 226 CO 0.10 -0.30 1.16 -0.07 -0.10 0.00 0.00 174.94 175.73 1wbl h LEU 227 N 8.06 -0.28 -8.82 2.97 -0.00 0.56 -3.14 115.31 114.67 1wbl h LEU 227 Ca -0.19 -0.24 -0.38 0.00 -0.00 0.00 0.00 57.88 57.07 1wbl h LEU 227 Cb 1.06 0.07 -0.14 0.00 -0.00 0.00 0.00 40.66 41.65 1wbl h LEU 227 CO 0.60 0.14 -0.55 -0.94 -0.00 0.00 0.00 178.44 177.69 1wbl s SER 228 N -5.22 1.15 -0.29 -0.43 1.04 -1.16 -4.18 113.70 104.61 1wbl s SER 228 Ca -0.14 -1.60 -0.16 0.00 0.48 0.00 0.00 55.95 54.53 1wbl s SER 228 Cb 0.02 0.47 0.16 0.00 0.10 0.00 0.00 66.02 66.76 1wbl s SER 228 CO 0.54 -0.95 1.02 0.86 0.98 0.00 0.00 173.24 175.69 1wbl s TRP 229 N -3.71 -0.50 0.04 5.02 -0.00 -0.40 -2.79 118.94 116.60 1wbl s TRP 229 Ca 0.39 0.98 0.03 0.00 -0.00 0.00 0.00 56.10 57.51 1wbl s TRP 229 Cb 0.04 0.30 -0.02 0.00 -0.00 0.00 0.00 33.47 33.79 1wbl s TRP 229 CO 0.20 -0.25 -0.10 -1.54 -0.00 0.00 0.00 176.95 175.27 1wbl s SER 230 N 1.36 1.15 -0.12 5.86 1.04 -0.12 0.11 113.70 122.98 1wbl s SER 230 Ca -0.09 -0.45 -0.09 0.00 0.48 0.00 0.00 55.95 55.80 1wbl s SER 230 Cb -0.03 -0.03 0.04 0.00 0.10 0.00 0.00 66.02 66.09 1wbl s SER 230 CO -0.14 -0.07 0.31 0.12 0.98 0.00 0.00 173.24 174.43 1wbl s PHE 231 N -0.99 -0.37 -0.04 5.02 5.36 -0.18 -1.42 117.98 125.36 1wbl s PHE 231 Ca -0.04 0.88 -0.02 0.00 -0.96 0.00 0.00 56.93 56.79 1wbl s PHE 231 Cb -0.08 0.12 0.02 0.00 -0.34 0.00 0.00 43.02 42.74 1wbl s PHE 231 CO 0.01 -0.20 0.09 0.45 -1.46 0.00 0.00 175.22 174.10 1wbl s SER 232 N 0.61 -0.06 0.02 6.13 0.15 -0.02 -1.15 113.70 119.37 1wbl s SER 232 Ca -0.04 0.17 -0.04 0.00 0.70 0.00 0.00 55.95 56.74 1wbl s SER 232 Cb -0.05 0.13 -0.01 0.00 -1.71 0.00 0.00 66.02 64.38 1wbl s SER 232 CO -0.04 -0.07 0.07 0.00 1.20 0.00 0.00 173.24 174.40 1wbl s ALA 233 N 0.48 -0.06 -0.04 5.45 0.00 -0.08 -0.22 121.76 127.29 1wbl s ALA 233 Ca -0.04 -0.48 -0.01 0.00 0.00 0.00 0.00 51.96 51.43 1wbl s ALA 233 Cb -0.05 0.19 0.03 0.00 0.00 0.00 0.00 23.12 23.28 1wbl s ALA 233 CO -0.02 -0.25 0.04 -1.12 0.00 0.00 0.00 175.76 174.41 1wbl s SER 234 N -1.79 0.96 -0.34 0.00 0.01 -0.03 -1.38 113.70 111.12 1wbl s SER 234 Ca -0.10 0.04 -0.11 0.00 1.31 0.00 0.00 55.95 57.09 1wbl s SER 234 Cb -0.05 -0.18 0.01 0.00 0.21 0.00 0.00 66.02 66.01 1wbl s SER 234 CO -0.02 -0.21 0.19 -0.22 0.41 0.00 0.00 173.24 173.39 1wbl s LEU 235 N 1.84 4.43 0.29 2.44 0.20 0.11 -2.49 118.68 125.50 1wbl s LEU 235 Ca 0.01 -0.73 0.01 0.00 0.69 0.00 0.00 54.13 54.11 1wbl s LEU 235 Cb -0.12 -2.03 0.55 0.00 -0.43 0.00 0.00 46.19 44.16 1wbl s LEU 235 CO -0.03 -0.29 1.87 1.55 -0.29 0.00 0.00 176.35 179.16 1wbl h PRO 236 N 8.41 0.98 -0.02 0.98 0.13 -1.85 1.90 132.00 142.52 1wbl h PRO 236 Ca -0.29 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1wbl h PRO 236 Cb 1.13 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1wbl h PRO 236 CO 0.64 0.65 0.00 0.41 -0.23 0.00 0.00 178.00 179.47