#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wbn s ARG 5 N 0.00 4.55 0.88 5.31 3.52 -1.26 -5.05 118.95 126.90 1wbn s ARG 5 Ca 0.00 1.27 -0.12 0.00 -0.13 0.00 0.00 55.73 56.74 1wbn s ARG 5 Cb 0.00 -3.43 0.12 0.00 -1.56 0.00 0.00 34.95 30.08 1wbn s ARG 5 CO 0.00 0.07 1.14 -1.25 -0.81 0.00 0.00 175.30 174.46 1wbn s PRO 6 N 0.61 1.42 0.01 5.12 0.04 -1.26 -5.04 135.00 135.91 1wbn s PRO 6 Ca 0.46 0.27 -0.20 0.00 0.04 0.00 0.00 61.00 61.58 1wbn s PRO 6 Cb -0.21 -1.87 -0.06 0.00 0.04 0.00 0.00 34.50 32.40 1wbn s PRO 6 CO 0.26 -2.00 0.56 0.99 0.04 0.00 0.00 177.00 176.85 1wbn s THR 7 N -3.34 4.88 -0.05 1.26 2.01 -1.26 -4.99 115.64 114.15 1wbn s THR 7 Ca 0.63 1.18 -0.02 0.00 0.31 0.00 0.00 61.69 63.79 1wbn s THR 7 Cb -0.14 -3.90 -0.04 0.00 0.01 0.00 0.00 72.50 68.44 1wbn s THR 7 CO 0.52 0.47 0.08 -0.36 -0.69 0.00 0.00 174.62 174.64 1wbn s PHE 8 N -0.50 3.32 0.25 4.92 0.40 -1.26 -1.37 117.98 123.74 1wbn s PHE 8 Ca 0.29 0.27 0.11 0.00 -0.60 0.00 0.00 56.93 57.01 1wbn s PHE 8 Cb -0.18 -1.79 -0.05 0.00 0.51 0.00 0.00 43.02 41.51 1wbn s PHE 8 CO 0.17 0.57 -0.20 1.52 0.70 0.00 0.00 175.22 177.98 1wbn s TYR 9 N -1.08 2.21 0.11 0.36 1.13 -0.54 -4.92 117.35 114.62 1wbn s TYR 9 Ca 0.19 -0.37 0.05 0.00 -1.41 0.00 0.00 57.07 55.54 1wbn s TYR 9 Cb -0.12 -1.01 -0.04 0.00 -1.10 0.00 0.00 41.96 39.70 1wbn s TYR 9 CO 0.09 0.61 0.00 1.03 -2.51 0.00 0.00 175.55 174.77 1wbn s ARG 10 N -3.27 2.51 -0.05 -3.49 0.52 -1.26 -2.23 118.95 111.67 1wbn s ARG 10 Ca 0.26 -0.91 -0.30 0.00 -0.52 0.00 0.00 55.73 54.26 1wbn s ARG 10 Cb -0.05 -2.49 0.08 0.00 0.52 0.00 0.00 34.95 33.00 1wbn s ARG 10 CO 0.12 0.52 0.74 1.14 0.02 0.00 0.00 175.30 177.84 1wbn s GLN 11 N -2.48 0.99 -0.12 3.54 -2.07 -0.29 -4.98 119.66 114.24 1wbn s GLN 11 Ca 0.26 0.18 -0.11 0.00 -1.82 0.00 0.00 55.36 53.87 1wbn s GLN 11 Cb -0.11 0.46 -0.05 0.00 -1.09 0.00 0.00 33.01 32.23 1wbn s GLN 11 CO 0.18 -0.32 0.22 -2.00 -1.32 0.00 0.00 175.29 172.06 1wbn s GLU 12 N -1.39 3.86 -0.26 9.60 2.12 -1.26 0.29 118.70 131.66 1wbn s GLU 12 Ca -0.08 0.01 -0.04 0.00 0.36 0.00 0.00 54.97 55.22 1wbn s GLU 12 Cb -0.00 -3.29 0.09 0.00 0.26 0.00 0.00 34.13 31.19 1wbn s GLU 12 CO 0.07 0.55 0.14 -0.51 -0.54 0.00 0.00 175.26 174.96 1wbn s LEU 13 N -0.43 0.39 -0.63 2.70 1.43 -0.02 -4.91 118.68 117.21 1wbn s LEU 13 Ca 0.16 -1.02 -0.01 0.00 -1.03 0.00 0.00 54.13 52.22 1wbn s LEU 13 Cb -0.13 -0.21 -0.02 0.00 0.03 0.00 0.00 46.19 45.87 1wbn s LEU 13 CO 0.05 -0.41 0.54 0.59 0.23 0.00 0.00 176.35 177.35 1wbn n ASN 14 N 5.27 -3.04 -1.73 2.29 4.13 -1.26 -3.30 115.26 117.62 1wbn n ASN 14 Ca -0.06 -0.36 -0.20 0.00 1.68 0.00 0.00 54.58 55.64 1wbn n ASN 14 Cb 0.44 -3.09 -0.07 0.00 -1.54 0.00 0.00 39.78 35.52 1wbn n ASN 14 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1wbn n LYS 15 N -2.63 -1.49 -4.57 3.52 4.01 -1.26 -4.96 118.16 110.78 1wbn n LYS 15 Ca -0.11 1.15 -0.24 0.00 -0.51 0.00 0.00 58.31 58.59 1wbn n LYS 15 Cb 0.58 -5.57 -0.16 0.00 -0.51 0.00 0.00 35.03 29.37 1wbn n LYS 15 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 1wbn s THR 16 N -2.75 1.10 -0.07 -0.18 -4.23 -1.21 -5.13 115.64 103.17 1wbn s THR 16 Ca 0.00 -0.47 -0.26 0.00 -1.18 0.00 0.00 61.69 59.78 1wbn s THR 16 Cb 0.00 -0.99 -0.03 0.00 1.34 0.00 0.00 72.50 72.82 1wbn s THR 16 CO 0.00 0.34 0.83 -0.63 -0.54 0.00 0.00 174.62 174.62 1wbn s ILE 17 N 0.55 4.94 -0.19 2.99 -1.09 -1.26 -0.84 121.20 126.31 1wbn s ILE 17 Ca -0.12 1.70 -0.03 0.00 -2.23 0.00 0.00 60.65 59.97 1wbn s ILE 17 Cb -0.14 -4.16 -0.01 0.00 -1.58 0.00 0.00 42.46 36.56 1wbn s ILE 17 CO 0.03 0.16 -0.06 0.26 -1.23 0.00 0.00 174.94 174.11 1wbn s TRP 18 N 1.21 2.95 -0.29 3.97 0.52 0.15 -4.97 118.94 122.47 1wbn s TRP 18 Ca 0.43 -0.74 -0.01 0.00 0.02 0.00 0.00 56.10 55.80 1wbn s TRP 18 Cb -0.18 -2.03 0.05 0.00 -1.15 0.00 0.00 33.47 30.16 1wbn s TRP 18 CO 0.20 -0.38 -0.02 -1.21 0.02 0.00 0.00 176.95 175.56 1wbn s GLU 19 N 1.05 2.39 0.13 4.98 2.02 -1.26 -1.14 118.70 126.87 1wbn s GLU 19 Ca 0.01 -1.29 0.03 0.00 0.02 0.00 0.00 54.97 53.74 1wbn s GLU 19 Cb -0.15 -3.13 -0.04 0.00 0.10 0.00 0.00 34.13 30.91 1wbn s GLU 19 CO -0.00 -0.61 -0.09 0.14 0.02 0.00 0.00 175.26 174.71 1wbn s VAL 20 N 1.22 0.99 0.59 2.63 -7.23 -0.95 -4.69 120.40 112.97 1wbn s VAL 20 Ca -0.06 -1.98 -0.20 0.00 -1.81 0.00 0.00 61.98 57.93 1wbn s VAL 20 Cb -0.20 -1.75 -0.03 0.00 0.56 0.00 0.00 36.38 34.96 1wbn s VAL 20 CO -0.02 -0.77 1.28 -2.84 -0.31 0.00 0.00 175.10 172.43 1wbn s PRO 21 N -3.69 2.94 0.53 4.82 0.02 -1.26 -1.47 135.00 136.89 1wbn s PRO 21 Ca 0.14 2.02 0.21 0.00 0.02 0.00 0.00 61.00 63.38 1wbn s PRO 21 Cb 0.03 -2.03 1.33 0.00 0.02 0.00 0.00 34.50 33.86 1wbn s PRO 21 CO -0.01 -1.28 2.07 0.93 -0.33 0.00 0.00 177.00 178.38 1wbn h GLU 22 N 1.02 0.00 -0.96 5.54 5.08 -1.59 -2.15 114.58 121.52 1wbn h GLU 22 Ca -0.51 -0.00 0.24 0.00 -1.00 0.00 0.00 59.36 58.09 1wbn h GLU 22 Cb 1.31 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.49 1wbn h GLU 22 CO 0.55 0.00 0.64 0.07 -1.00 0.00 0.00 179.01 179.28 1wbn h ARG 23 N 0.00 0.32 -5.65 2.33 0.11 -1.91 -3.39 114.38 106.19 1wbn h ARG 23 Ca 0.13 -0.02 -0.60 0.00 0.10 0.00 0.00 59.98 59.59 1wbn h ARG 23 Cb 0.51 -0.07 -0.10 0.00 1.11 0.00 0.00 29.97 31.43 1wbn h ARG 23 CO -0.00 0.21 0.14 0.71 0.10 0.00 0.00 179.97 181.12 1wbn s TYR 24 N -5.36 3.36 0.18 4.08 2.02 -0.81 -0.99 117.35 119.83 1wbn s TYR 24 Ca -0.08 0.93 0.07 0.00 -0.37 0.00 0.00 57.07 57.61 1wbn s TYR 24 Cb 0.23 -2.81 -0.04 0.00 -0.40 0.00 0.00 41.96 38.93 1wbn s TYR 24 CO 0.79 -0.20 -0.13 -0.65 -1.57 0.00 0.00 175.55 173.79 1wbn s GLN 25 N 2.00 1.21 -1.19 -0.62 -1.52 -0.25 -4.84 119.66 114.45 1wbn s GLN 25 Ca 0.29 -1.51 -0.08 0.00 -1.95 0.00 0.00 55.36 52.11 1wbn s GLN 25 Cb -0.16 -0.95 0.01 0.00 -0.22 0.00 0.00 33.01 31.69 1wbn s GLN 25 CO 0.10 0.15 1.04 0.09 -0.25 0.00 0.00 175.29 176.43 1wbn n ASN 26 N -0.21 -5.84 -4.67 5.90 3.02 -1.26 -0.10 115.26 112.09 1wbn n ASN 26 Ca -0.10 -0.48 -0.47 0.00 -0.03 0.00 0.00 54.58 53.51 1wbn n ASN 26 Cb 0.60 -4.49 -0.04 0.00 -0.61 0.00 0.00 39.78 35.23 1wbn n ASN 26 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1wbn n LEU 27 N -4.47 3.14 -3.74 3.41 4.32 -1.26 -4.41 117.00 113.99 1wbn n LEU 27 Ca 0.01 1.05 -0.22 0.00 -0.02 0.00 0.00 56.01 56.83 1wbn n LEU 27 Cb 0.55 -1.39 -0.18 0.00 -1.62 0.00 0.00 43.42 40.78 1wbn n LEU 27 CO 0.57 -0.25 -0.37 -0.55 -1.22 0.00 0.00 177.39 175.57 1wbn s SER 28 N 1.97 1.42 0.24 -1.43 0.15 0.10 -4.98 113.70 111.17 1wbn s SER 28 Ca 0.84 -0.03 -0.31 0.00 0.70 0.00 0.00 55.95 57.15 1wbn s SER 28 Cb -0.70 -0.35 -0.14 0.00 -1.71 0.00 0.00 66.02 63.12 1wbn s SER 28 CO 0.43 -0.21 1.23 -2.65 1.20 0.00 0.00 173.24 173.25 1wbn n PRO 29 N 5.16 1.62 0.00 5.44 -0.02 -1.26 -0.94 135.00 144.99 1wbn n PRO 29 Ca -0.07 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1wbn n PRO 29 Cb 0.50 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 1wbn n PRO 29 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1wbn n VAL 30 N 1.25 0.00 0.00 -1.45 0.31 0.37 -4.79 118.33 114.02 1wbn n VAL 30 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 1wbn n VAL 30 Cb 0.30 0.01 0.00 0.00 -0.91 0.00 0.00 33.84 33.24 1wbn n VAL 30 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wbn n GLY 31 N 1.98 1.03 3.64 2.92 0.00 -1.14 -4.99 105.19 108.62 1wbn n GLY 31 Ca 0.00 -0.74 -0.09 0.00 0.00 0.00 0.00 46.02 45.18 1wbn n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wbn s SER 32 N 0.00 -0.34 0.00 1.61 1.04 -1.26 0.27 113.70 115.02 1wbn s SER 32 Ca 0.00 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.01 1wbn s SER 32 Cb 0.00 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.77 1wbn s SER 32 CO 0.00 -1.16 0.00 0.61 0.98 0.00 0.00 173.24 173.67 1wbn n GLY 33 N -0.41 1.95 0.23 7.32 0.00 0.15 -4.97 105.19 109.47 1wbn n GLY 33 Ca -0.09 -0.87 0.06 0.00 0.00 0.00 0.00 46.02 45.12 1wbn n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wbn h ALA 34 N 2.00 1.69 -0.01 4.61 0.00 -1.86 -2.94 119.26 122.74 1wbn h ALA 34 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1wbn h ALA 34 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1wbn h ALA 34 CO 0.00 0.20 -0.42 0.66 0.00 0.00 0.00 179.25 179.69 1wbn n TYR 35 N -4.27 0.00 0.00 0.00 4.02 0.29 -4.64 117.16 112.56 1wbn n TYR 35 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 1wbn n TYR 35 Cb 0.23 -0.09 0.00 0.00 -0.02 0.00 0.00 39.34 39.45 1wbn n TYR 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1wbn n GLY 36 N 1.40 -0.12 3.34 2.72 0.00 -1.11 -2.07 105.19 109.34 1wbn n GLY 36 Ca 0.10 -1.33 -0.26 0.00 0.00 0.00 0.00 46.02 44.53 1wbn n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wbn s SER 37 N 0.00 2.90 -0.04 1.61 0.01 -0.73 -0.67 113.70 116.77 1wbn s SER 37 Ca 0.00 -0.74 0.05 0.00 1.31 0.00 0.00 55.95 56.57 1wbn s SER 37 Cb 0.00 -0.18 -0.01 0.00 0.21 0.00 0.00 66.02 66.04 1wbn s SER 37 CO 0.00 0.10 -0.20 -0.69 0.41 0.00 0.00 173.24 172.86 1wbn s VAL 38 N -1.26 1.61 -0.04 3.43 1.01 0.14 -0.54 120.40 124.75 1wbn s VAL 38 Ca 0.11 -0.82 0.06 0.00 0.00 0.00 0.00 61.98 61.33 1wbn s VAL 38 Cb -0.09 -1.38 -0.02 0.00 0.00 0.00 0.00 36.38 34.89 1wbn s VAL 38 CO 0.06 0.46 -0.21 0.00 0.00 0.00 0.00 175.10 175.40 1wbn s ALA 40 N -0.50 2.58 0.17 0.00 0.00 -0.12 -0.88 121.76 123.02 1wbn s ALA 40 Ca 0.06 0.86 -0.23 0.00 0.00 0.00 0.00 51.96 52.65 1wbn s ALA 40 Cb -0.11 -3.39 0.06 0.00 0.00 0.00 0.00 23.12 19.67 1wbn s ALA 40 CO 0.01 -1.03 0.71 0.00 0.00 0.00 0.00 175.76 175.45 1wbn s ALA 41 N -1.79 -1.52 -0.28 0.00 0.00 -0.01 -0.72 121.76 117.45 1wbn s ALA 41 Ca 0.74 0.28 -0.08 0.00 0.00 0.00 0.00 51.96 52.90 1wbn s ALA 41 Cb -0.26 0.79 -0.01 0.00 0.00 0.00 0.00 23.12 23.64 1wbn s ALA 41 CO 0.32 -0.87 0.09 0.12 0.00 0.00 0.00 175.76 175.41 1wbn s PHE 42 N -3.67 3.12 -0.43 0.00 5.36 0.86 -0.50 117.98 122.72 1wbn s PHE 42 Ca 0.06 -0.66 -0.24 0.00 -0.96 0.00 0.00 56.93 55.13 1wbn s PHE 42 Cb -0.03 -2.26 0.02 0.00 -0.34 0.00 0.00 43.02 40.41 1wbn s PHE 42 CO -0.05 -0.46 0.84 0.34 -1.46 0.00 0.00 175.22 174.44 1wbn s ASP 43 N 1.57 6.49 0.38 6.13 2.15 0.36 -1.09 116.67 132.65 1wbn s ASP 43 Ca 0.05 0.11 0.20 0.00 0.43 0.00 0.00 52.55 53.34 1wbn s ASP 43 Cb -0.16 -2.41 0.39 0.00 -0.30 0.00 0.00 42.92 40.43 1wbn s ASP 43 CO 0.03 -0.92 1.60 0.71 -0.17 0.00 0.00 175.17 176.42 1wbn h THR 44 N 5.96 0.48 -0.00 1.71 1.35 -1.36 -0.48 112.91 120.57 1wbn h THR 44 Ca -0.24 -1.53 -0.15 0.00 -0.55 0.00 0.00 66.41 63.94 1wbn h THR 44 Cb 1.08 2.11 -0.02 0.00 -1.73 0.00 0.00 68.15 69.60 1wbn h THR 44 CO 0.97 0.26 -0.69 0.11 -0.25 0.00 0.00 175.52 175.92 1wbn h LYS 45 N 0.00 0.01 0.00 4.72 1.57 -1.91 -3.36 116.57 117.60 1wbn h LYS 45 Ca -0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1wbn h LYS 45 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1wbn h LYS 45 CO 0.03 0.70 -1.62 0.25 -0.57 0.00 0.00 179.45 178.24 1wbn n THR 46 N -3.72 0.00 -0.60 -0.16 -2.24 -1.13 -4.99 114.28 101.44 1wbn n THR 46 Ca -0.01 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 1wbn n THR 46 Cb 0.68 0.20 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 1wbn n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wbn n GLY 47 N 1.69 0.78 3.84 3.38 0.00 -0.20 -5.05 105.19 109.63 1wbn n GLY 47 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 1wbn n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wbn s LEU 48 N 0.00 4.30 -0.10 0.99 1.43 -1.14 -4.90 118.68 119.27 1wbn s LEU 48 Ca 0.00 1.12 -0.30 0.00 -1.03 0.00 0.00 54.13 53.92 1wbn s LEU 48 Cb 0.00 -3.42 -0.02 0.00 0.03 0.00 0.00 46.19 42.79 1wbn s LEU 48 CO 0.00 0.05 1.06 -0.13 0.23 0.00 0.00 176.35 177.56 1wbn s ARG 49 N -2.13 4.40 0.18 1.70 0.52 -1.26 -0.49 118.95 121.86 1wbn s ARG 49 Ca 0.41 1.46 0.06 0.00 -0.52 0.00 0.00 55.73 57.14 1wbn s ARG 49 Cb -0.14 -3.55 -0.05 0.00 0.52 0.00 0.00 34.95 31.73 1wbn s ARG 49 CO 0.20 -0.37 -0.13 0.14 0.02 0.00 0.00 175.30 175.16 1wbn s VAL 50 N 2.14 1.50 -0.06 3.52 -7.23 0.35 -1.73 120.40 118.89 1wbn s VAL 50 Ca 0.50 -2.14 0.01 0.00 -1.81 0.00 0.00 61.98 58.54 1wbn s VAL 50 Cb -0.20 -1.95 -0.03 0.00 0.56 0.00 0.00 36.38 34.76 1wbn s VAL 50 CO 0.18 -0.65 -0.06 0.00 -0.31 0.00 0.00 175.10 174.25 1wbn s ALA 51 N -3.10 3.00 -0.15 1.32 0.00 0.13 -0.83 121.76 122.13 1wbn s ALA 51 Ca 0.20 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.27 1wbn s ALA 51 Cb 0.01 -1.24 0.02 0.00 0.00 0.00 0.00 23.12 21.91 1wbn s ALA 51 CO 0.04 0.58 -0.14 0.08 0.00 0.00 0.00 175.76 176.32 1wbn s VAL 52 N -0.83 1.57 -0.23 0.00 1.01 -0.06 -0.66 120.40 121.20 1wbn s VAL 52 Ca 0.13 -0.66 -0.10 0.00 0.00 0.00 0.00 61.98 61.35 1wbn s VAL 52 Cb -0.11 -1.49 -0.05 0.00 0.00 0.00 0.00 36.38 34.73 1wbn s VAL 52 CO 0.02 0.43 0.15 -0.75 0.00 0.00 0.00 175.10 174.94 1wbn s LYS 53 N 1.48 4.07 -0.38 2.72 2.20 0.12 -1.42 119.74 128.54 1wbn s LYS 53 Ca 0.04 -0.27 -0.15 0.00 -0.36 0.00 0.00 55.97 55.23 1wbn s LYS 53 Cb -0.13 -3.49 0.00 0.00 -1.51 0.00 0.00 37.83 32.70 1wbn s LYS 53 CO -0.10 0.11 0.34 0.21 -0.36 0.00 0.00 175.35 175.54 1wbn s LYS 54 N 0.91 3.27 0.23 4.03 2.20 0.30 -1.11 119.74 129.57 1wbn s LYS 54 Ca 0.07 -0.72 -0.31 0.00 -0.36 0.00 0.00 55.97 54.65 1wbn s LYS 54 Cb -0.13 -3.89 -0.11 0.00 -1.51 0.00 0.00 37.83 32.18 1wbn s LYS 54 CO 0.03 -0.65 1.65 -0.51 -0.36 0.00 0.00 175.35 175.51 1wbn s LEU 55 N 1.89 4.36 -0.42 5.43 1.43 -0.71 -1.78 118.68 128.89 1wbn s LEU 55 Ca 0.09 2.86 -0.28 0.00 -1.03 0.00 0.00 54.13 55.76 1wbn s LEU 55 Cb -0.18 -3.61 0.02 0.00 0.03 0.00 0.00 46.19 42.46 1wbn s LEU 55 CO 0.11 -0.92 1.08 -0.44 0.23 0.00 0.00 176.35 176.41 1wbn s SER 56 N 0.90 6.72 -0.35 2.29 0.01 -0.88 -4.39 113.70 118.00 1wbn s SER 56 Ca 0.69 0.62 -0.11 0.00 1.31 0.00 0.00 55.95 58.47 1wbn s SER 56 Cb -0.48 -2.53 0.02 0.00 0.21 0.00 0.00 66.02 63.23 1wbn s SER 56 CO 0.38 -1.09 0.34 -2.11 0.41 0.00 0.00 173.24 171.18 1wbn n ARG 57 N 7.40 -0.94 0.29 12.44 1.85 -1.26 -4.79 116.66 131.64 1wbn n ARG 57 Ca 0.11 0.58 0.19 0.00 -1.00 0.00 0.00 57.85 57.73 1wbn n ARG 57 Cb 0.48 -1.14 0.87 0.00 -1.05 0.00 0.00 32.46 31.62 1wbn n ARG 57 CO 0.00 0.00 0.00 -1.00 -0.01 0.00 0.00 177.63 176.62 1wbn h PRO 58 N 0.71 0.00 -0.01 2.89 0.13 -1.80 -2.80 132.00 131.11 1wbn h PRO 58 Ca -0.33 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.78 1wbn h PRO 58 Cb 0.77 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.88 1wbn h PRO 58 CO 0.16 0.00 -0.52 1.19 -0.23 0.00 0.00 178.00 178.60 1wbn n PHE 59 N -3.00 0.05 0.05 1.56 3.72 -1.26 -2.17 117.46 116.39 1wbn n PHE 59 Ca -0.01 -1.49 -0.14 0.00 -0.05 0.00 0.00 57.45 55.77 1wbn n PHE 59 Cb 0.21 -0.25 -0.08 0.00 -0.94 0.00 0.00 39.48 38.42 1wbn n PHE 59 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1wbn h GLN 60 N 1.02 -0.58 -5.10 -1.08 4.15 -1.84 -3.45 115.11 108.23 1wbn h GLN 60 Ca -0.00 0.04 -0.42 0.00 0.77 0.00 0.00 58.65 59.04 1wbn h GLN 60 Cb 1.03 0.13 -0.14 0.00 0.21 0.00 0.00 27.48 28.71 1wbn h GLN 60 CO 0.02 -0.39 -0.62 -1.54 -1.93 0.00 0.00 178.83 174.37 1wbn s SER 61 N -4.79 1.92 0.17 -0.69 1.04 -1.26 -5.00 113.70 105.08 1wbn s SER 61 Ca -0.16 -1.35 -0.25 0.00 0.48 0.00 0.00 55.95 54.68 1wbn s SER 61 Cb 0.08 0.01 0.05 0.00 0.10 0.00 0.00 66.02 66.26 1wbn s SER 61 CO 0.63 -0.62 1.57 0.40 0.98 0.00 0.00 173.24 176.20 1wbn h ILE 62 N 2.26 0.11 -0.65 -1.02 2.04 -1.94 0.18 117.51 118.49 1wbn h ILE 62 Ca -0.40 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.41 1wbn h ILE 62 Cb 1.24 0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 1wbn h ILE 62 CO 0.66 0.00 0.17 -0.29 0.00 0.00 0.00 178.15 178.69 1wbn h ILE 63 N -0.23 1.25 0.32 -0.67 2.10 -1.96 -0.99 117.51 117.33 1wbn h ILE 63 Ca 0.19 -0.90 -0.02 0.00 1.08 0.00 0.00 64.86 65.21 1wbn h ILE 63 Cb 0.56 0.57 0.00 0.00 -1.09 0.00 0.00 36.82 36.86 1wbn h ILE 63 CO -0.67 0.34 -0.15 0.45 -1.08 0.00 0.00 178.15 177.04 1wbn h HIS 64 N 0.97 -0.39 -0.92 2.19 3.86 -1.74 -1.79 115.15 117.32 1wbn h HIS 64 Ca 0.21 -0.01 0.12 0.00 -1.16 0.00 0.00 60.37 59.53 1wbn h HIS 64 Cb 0.33 0.13 -0.08 0.00 1.06 0.00 0.00 27.41 28.84 1wbn h HIS 64 CO 0.02 -0.15 0.55 0.00 0.86 0.00 0.00 177.93 179.21 1wbn h ALA 65 N 0.06 1.38 -0.61 2.45 0.00 -0.15 0.26 119.26 122.64 1wbn h ALA 65 Ca -0.04 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1wbn h ALA 65 Cb 0.42 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1wbn h ALA 65 CO 0.07 0.12 0.02 -0.22 0.00 0.00 0.00 179.25 179.24 1wbn h LYS 66 N 0.85 1.06 -0.67 0.00 3.64 -1.19 -1.19 116.57 119.07 1wbn h LYS 66 Ca 0.47 -0.32 0.07 0.00 -1.27 0.00 0.00 60.65 59.59 1wbn h LYS 66 Cb 0.50 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.16 1wbn h LYS 66 CO -0.28 1.02 0.36 -0.09 -2.27 0.00 0.00 179.45 178.19 1wbn h ARG 67 N 0.97 0.64 0.18 1.90 9.65 -0.11 0.42 114.38 128.03 1wbn h ARG 67 Ca 0.18 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 59.01 1wbn h ARG 67 Cb 0.53 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 28.96 1wbn h ARG 67 CO 0.03 0.42 -0.08 1.15 2.80 0.00 0.00 179.97 184.28 1wbn h THR 68 N 0.66 0.91 -0.97 0.20 2.02 -0.78 -1.92 112.91 113.04 1wbn h THR 68 Ca 0.31 -0.43 0.16 0.00 0.77 0.00 0.00 66.41 67.23 1wbn h THR 68 Cb 0.23 1.17 -0.10 0.00 -1.74 0.00 0.00 68.15 67.71 1wbn h THR 68 CO -0.20 0.10 0.57 0.22 0.37 0.00 0.00 175.52 176.58 1wbn h TYR 69 N -0.44 1.01 -0.06 3.16 3.20 -1.01 -2.09 116.97 120.74 1wbn h TYR 69 Ca -0.02 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 1wbn h TYR 69 Cb 0.34 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 38.31 1wbn h TYR 69 CO -0.00 0.27 0.01 -0.09 -1.64 0.00 0.00 178.16 176.70 1wbn h ARG 70 N 0.78 0.10 -0.69 1.82 2.43 -0.57 -1.37 114.38 116.87 1wbn h ARG 70 Ca 0.53 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.64 1wbn h ARG 70 Cb 0.75 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.26 1wbn h ARG 70 CO -0.35 0.32 0.27 1.49 -1.51 0.00 0.00 179.97 180.19 1wbn h GLU 71 N -0.14 1.02 0.25 0.20 4.81 -1.14 0.10 114.58 119.67 1wbn h GLU 71 Ca 0.02 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.06 1wbn h GLU 71 Cb 0.27 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.48 1wbn h GLU 71 CO 0.00 0.84 -0.12 1.25 -0.73 0.00 0.00 179.01 180.25 1wbn h LEU 72 N 1.00 -0.29 -0.54 1.64 5.85 -1.27 0.12 115.31 121.82 1wbn h LEU 72 Ca 0.23 -0.14 0.11 0.00 0.84 0.00 0.00 57.88 58.92 1wbn h LEU 72 Cb 0.20 0.07 -0.10 0.00 0.37 0.00 0.00 40.66 41.21 1wbn h LEU 72 CO -0.02 -0.02 -0.08 0.03 -0.34 0.00 0.00 178.44 178.02 1wbn h ARG 73 N -0.56 0.05 -0.20 1.25 2.47 -1.20 0.11 114.38 116.29 1wbn h ARG 73 Ca -0.03 -0.00 0.03 0.00 -1.26 0.00 0.00 59.98 58.72 1wbn h ARG 73 Cb 0.41 -0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.69 1wbn h ARG 73 CO 0.06 0.03 -0.01 1.25 0.56 0.00 0.00 179.97 181.86 1wbn h LEU 74 N 0.05 -0.10 -0.30 3.04 5.85 -0.67 -2.74 115.31 120.44 1wbn h LEU 74 Ca 0.27 0.05 -0.20 0.00 0.84 0.00 0.00 57.88 58.84 1wbn h LEU 74 Cb 0.41 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 1wbn h LEU 74 CO -0.51 -0.03 -0.86 -0.07 -0.34 0.00 0.00 178.44 176.64 1wbn h LEU 75 N 0.05 0.32 -2.54 2.25 4.07 -0.31 -2.44 115.31 116.70 1wbn h LEU 75 Ca 0.10 -0.25 -0.00 0.00 0.08 0.00 0.00 57.88 57.80 1wbn h LEU 75 Cb 0.13 -0.10 -0.00 0.00 1.08 0.00 0.00 40.66 41.77 1wbn h LEU 75 CO -0.17 1.03 -0.02 0.11 -1.08 0.00 0.00 178.44 178.31 1wbn h LYS 76 N 0.14 0.00 0.00 1.13 1.57 -0.69 -3.20 116.57 115.53 1wbn h LYS 76 Ca -0.05 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.40 1wbn h LYS 76 Cb 1.47 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.72 1wbn h LYS 76 CO 0.14 0.02 -2.15 1.58 -0.57 0.00 0.00 179.45 178.47 1wbn n HIS 77 N -3.39 0.35 -2.09 -1.35 -0.00 -0.95 -4.88 115.22 102.91 1wbn n HIS 77 Ca -0.02 0.13 -0.42 0.00 0.46 0.00 0.00 57.72 57.86 1wbn n HIS 77 Cb 0.12 -1.06 -0.03 0.00 -0.12 0.00 0.00 29.99 28.90 1wbn n HIS 77 CO 0.00 0.00 0.00 -1.64 0.46 0.00 0.00 176.34 175.16 1wbn s MET 78 N -2.54 3.25 -0.49 1.57 -1.94 -1.02 -4.93 119.30 113.20 1wbn s MET 78 Ca -0.08 1.14 0.03 0.00 -1.71 0.00 0.00 55.69 55.07 1wbn s MET 78 Cb 0.07 -4.20 0.16 0.00 2.01 0.00 0.00 34.83 32.87 1wbn s MET 78 CO 0.83 -1.96 0.34 0.15 -0.01 0.00 0.00 175.02 174.37 1wbn s LYS 79 N 5.77 1.40 -0.14 2.03 1.02 -1.26 -4.37 119.74 124.18 1wbn s LYS 79 Ca 0.73 -2.35 -0.24 0.00 0.02 0.00 0.00 55.97 54.13 1wbn s LYS 79 Cb -0.18 -2.20 0.06 0.00 -0.52 0.00 0.00 37.83 34.99 1wbn s LYS 79 CO 0.31 -1.28 0.61 -1.58 -0.92 0.00 0.00 175.35 172.48 1wbn s HIS 80 N -0.18 -0.62 0.42 3.18 2.46 -1.26 -5.06 115.29 114.24 1wbn s HIS 80 Ca 0.25 1.31 0.09 0.00 0.47 0.00 0.00 55.06 57.19 1wbn s HIS 80 Cb -0.08 0.28 0.91 0.00 -0.13 0.00 0.00 32.58 33.56 1wbn s HIS 80 CO -0.12 -0.44 2.03 0.93 -2.47 0.00 0.00 174.74 174.68 1wbn h GLU 81 N 4.23 0.35 -0.55 2.88 5.08 -1.98 -2.37 114.58 122.23 1wbn h GLU 81 Ca -0.28 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1wbn h GLU 81 Cb 1.16 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1wbn h GLU 81 CO 0.24 0.30 0.00 0.09 -1.00 0.00 0.00 179.01 178.65 1wbn n ASN 82 N -4.43 3.62 -4.31 1.42 5.03 -1.26 -4.77 115.26 110.56 1wbn n ASN 82 Ca 0.01 -1.99 -0.23 0.00 0.87 0.00 0.00 54.58 53.24 1wbn n ASN 82 Cb 0.13 -0.36 -0.12 0.00 -1.02 0.00 0.00 39.78 38.41 1wbn n ASN 82 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1wbn s VAL 83 N -1.28 1.78 0.33 2.41 1.01 -0.89 -0.50 120.40 123.27 1wbn s VAL 83 Ca 0.43 -1.74 -0.27 0.00 0.00 0.00 0.00 61.98 60.40 1wbn s VAL 83 Cb 0.24 -1.72 -0.09 0.00 0.00 0.00 0.00 36.38 34.81 1wbn s VAL 83 CO 0.32 -0.19 1.09 -0.51 0.00 0.00 0.00 175.10 175.81 1wbn s ILE 84 N -1.61 3.54 0.29 2.22 2.07 -0.76 -4.52 121.20 122.44 1wbn s ILE 84 Ca 0.11 1.40 0.07 0.00 -1.41 0.00 0.00 60.65 60.82 1wbn s ILE 84 Cb -0.08 -3.83 -0.06 0.00 0.13 0.00 0.00 42.46 38.62 1wbn s ILE 84 CO 0.06 0.22 -0.05 -0.83 -1.91 0.00 0.00 174.94 172.43 1wbn s GLY 85 N -1.14 1.91 -0.25 1.50 0.00 -1.26 -4.74 107.32 103.35 1wbn s GLY 85 Ca 0.50 -1.95 -0.21 0.00 0.00 0.00 0.00 44.72 43.06 1wbn s GLY 85 CO 0.36 -1.86 0.68 1.08 0.00 0.00 0.00 173.10 173.36 1wbn s LEU 86 N -3.47 4.07 0.15 0.66 1.43 -1.25 -4.50 118.68 115.77 1wbn s LEU 86 Ca 0.31 0.80 -0.00 0.00 -1.03 0.00 0.00 54.13 54.21 1wbn s LEU 86 Cb 0.04 -2.94 -0.05 0.00 0.03 0.00 0.00 46.19 43.27 1wbn s LEU 86 CO 0.13 -0.40 1.34 -0.07 0.23 0.00 0.00 176.35 177.58 1wbn h LEU 87 N 8.92 0.35 -7.00 1.79 3.38 -1.30 -3.42 115.31 118.03 1wbn h LEU 87 Ca -0.26 -0.29 0.14 0.00 0.09 0.00 0.00 57.88 57.56 1wbn h LEU 87 Cb 1.12 -0.11 -0.19 0.00 0.09 0.00 0.00 40.66 41.57 1wbn h LEU 87 CO 0.80 1.10 0.60 -0.62 0.09 0.00 0.00 178.44 180.40 1wbn s ASP 88 N -6.99 -0.30 -0.14 -0.43 2.15 -1.18 -4.52 116.67 105.27 1wbn s ASP 88 Ca -0.04 0.11 -0.11 0.00 0.43 0.00 0.00 52.55 52.94 1wbn s ASP 88 Cb 0.10 0.29 0.04 0.00 -0.30 0.00 0.00 42.92 43.05 1wbn s ASP 88 CO 0.84 -0.43 0.35 0.54 -0.17 0.00 0.00 175.17 176.30 1wbn s VAL 89 N -2.35 -0.01 0.17 1.11 0.11 -1.26 -0.46 120.40 117.71 1wbn s VAL 89 Ca 0.04 0.03 -0.13 0.00 -2.93 0.00 0.00 61.98 58.99 1wbn s VAL 89 Cb -0.01 -0.51 0.01 0.00 -1.53 0.00 0.00 36.38 34.35 1wbn s VAL 89 CO -0.05 0.01 0.39 0.72 -3.33 0.00 0.00 175.10 172.85 1wbn s PHE 90 N 0.50 0.12 -0.10 1.54 -0.12 -0.68 -4.98 117.98 114.27 1wbn s PHE 90 Ca -0.03 -0.48 -0.08 0.00 -0.05 0.00 0.00 56.93 56.30 1wbn s PHE 90 Cb -0.04 0.16 0.03 0.00 -0.63 0.00 0.00 43.02 42.54 1wbn s PHE 90 CO -0.03 -0.80 0.25 -0.08 -0.05 0.00 0.00 175.22 174.51 1wbn s THR 91 N -3.91 -0.01 -0.85 -4.49 -1.32 -1.26 -1.75 115.64 102.05 1wbn s THR 91 Ca 0.12 0.03 0.17 0.00 -1.21 0.00 0.00 61.69 60.81 1wbn s THR 91 Cb 0.01 -0.36 0.16 0.00 -1.51 0.00 0.00 72.50 70.80 1wbn s THR 91 CO -0.02 0.01 1.54 -0.81 -2.21 0.00 0.00 174.62 173.13 1wbn n PRO 92 N 3.24 0.06 -2.14 7.08 -0.04 -1.26 -4.81 135.00 137.13 1wbn n PRO 92 Ca -0.16 0.30 -0.41 0.00 -0.04 0.00 0.00 63.50 63.19 1wbn n PRO 92 Cb 0.57 -1.61 -0.03 0.00 -0.04 0.00 0.00 33.50 32.40 1wbn n PRO 92 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wbn s ALA 93 N -3.09 3.53 -0.80 0.55 0.00 -1.26 -4.94 121.76 115.76 1wbn s ALA 93 Ca 0.06 1.21 0.22 0.00 0.00 0.00 0.00 51.96 53.45 1wbn s ALA 93 Cb 0.09 -3.49 -0.13 0.00 0.00 0.00 0.00 23.12 19.60 1wbn s ALA 93 CO 0.30 -0.60 0.91 0.54 0.00 0.00 0.00 175.76 176.91 1wbn n ARG 94 N 1.75 0.14 -4.01 0.00 1.74 -1.26 -4.95 116.66 110.07 1wbn n ARG 94 Ca 0.03 -0.03 -0.10 0.00 -0.77 0.00 0.00 57.85 56.98 1wbn n ARG 94 Cb 0.42 -1.52 -0.05 0.00 -1.02 0.00 0.00 32.46 30.29 1wbn n ARG 94 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1wbn s SER 95 N -3.37 0.12 0.43 0.55 1.04 -1.26 -5.03 113.70 106.18 1wbn s SER 95 Ca 0.05 -1.07 0.12 0.00 0.48 0.00 0.00 55.95 55.53 1wbn s SER 95 Cb 0.16 0.61 0.92 0.00 0.10 0.00 0.00 66.02 67.81 1wbn s SER 95 CO 0.85 -1.20 1.99 0.25 0.98 0.00 0.00 173.24 176.11 1wbn h LEU 96 N 2.22 0.15 -1.67 2.42 5.85 -1.97 -2.84 115.31 119.47 1wbn h LEU 96 Ca -0.27 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.40 1wbn h LEU 96 Cb 1.25 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 1wbn h LEU 96 CO 0.37 0.26 -0.07 -0.33 -0.34 0.00 0.00 178.44 178.33 1wbn h GLU 97 N 0.16 0.12 -0.29 1.25 3.07 -2.01 -2.92 114.58 113.97 1wbn h GLU 97 Ca 0.04 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1wbn h GLU 97 Cb 0.26 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.15 1wbn h GLU 97 CO 0.01 0.20 0.00 -0.85 -1.40 0.00 0.00 179.01 176.98 1wbn n GLU 98 N -4.39 2.87 -2.23 2.33 0.28 -1.09 -4.97 120.64 113.44 1wbn n GLU 98 Ca -0.02 -2.10 -0.43 0.00 -0.16 0.00 0.00 57.16 54.46 1wbn n GLU 98 Cb 0.19 -1.32 -0.02 0.00 1.43 0.00 0.00 31.44 31.72 1wbn n GLU 98 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 1wbn s PHE 99 N -1.28 2.24 0.00 -1.84 5.36 -1.11 -4.69 117.98 116.67 1wbn s PHE 99 Ca 0.23 0.66 0.00 0.00 -0.96 0.00 0.00 56.93 56.86 1wbn s PHE 99 Cb 0.14 -4.16 0.00 0.00 -0.34 0.00 0.00 43.02 38.66 1wbn s PHE 99 CO 0.13 -2.35 0.00 0.09 -1.46 0.00 0.00 175.22 171.62 1wbn n ASN 100 N 8.94 0.97 -4.24 6.13 3.02 -1.26 -5.07 115.26 123.75 1wbn n ASN 100 Ca 0.18 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.46 1wbn n ASN 100 Cb 0.47 0.19 -0.15 0.00 -0.61 0.00 0.00 39.78 39.68 1wbn n ASN 100 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1wbn s ASP 101 N -0.41 2.55 -0.06 6.41 1.01 -1.26 -4.56 116.67 120.36 1wbn s ASP 101 Ca 0.00 -0.42 0.03 0.00 0.71 0.00 0.00 52.55 52.87 1wbn s ASP 101 Cb 0.00 -0.27 0.01 0.00 1.01 0.00 0.00 42.92 43.67 1wbn s ASP 101 CO 0.00 0.25 -0.13 -0.69 0.21 0.00 0.00 175.17 174.80 1wbn s VAL 102 N -0.57 1.20 -0.06 -1.27 1.01 -1.26 -4.61 120.40 114.84 1wbn s VAL 102 Ca 0.08 -0.54 0.05 0.00 0.00 0.00 0.00 61.98 61.57 1wbn s VAL 102 Cb -0.08 -1.07 -0.01 0.00 0.00 0.00 0.00 36.38 35.22 1wbn s VAL 102 CO -0.00 0.36 -0.22 -0.31 0.00 0.00 0.00 175.10 174.93 1wbn s TYR 103 N 0.44 2.20 -0.09 5.22 1.51 -0.72 -1.74 117.35 124.17 1wbn s TYR 103 Ca -0.11 -0.68 0.01 0.00 -1.01 0.00 0.00 57.07 55.29 1wbn s TYR 103 Cb -0.14 -1.46 -0.02 0.00 -0.11 0.00 0.00 41.96 40.23 1wbn s TYR 103 CO 0.03 -0.22 -0.13 -0.51 -1.11 0.00 0.00 175.55 173.61 1wbn s LEU 104 N -0.03 2.74 -0.10 -1.29 1.43 -0.27 -1.68 118.68 119.47 1wbn s LEU 104 Ca -0.05 -0.26 0.02 0.00 -1.03 0.00 0.00 54.13 52.80 1wbn s LEU 104 Cb -0.14 -1.59 -0.01 0.00 0.03 0.00 0.00 46.19 44.48 1wbn s LEU 104 CO 0.04 0.25 -0.16 -0.69 0.23 0.00 0.00 176.35 176.01 1wbn s VAL 105 N -0.14 2.80 0.20 -1.59 1.01 0.39 -0.70 120.40 122.37 1wbn s VAL 105 Ca -0.01 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.21 1wbn s VAL 105 Cb -0.14 -2.13 -0.05 0.00 0.00 0.00 0.00 36.38 34.07 1wbn s VAL 105 CO 0.03 0.55 0.07 0.28 0.00 0.00 0.00 175.10 176.03 1wbn s THR 106 N 0.05 0.39 0.44 3.92 -1.32 0.16 -0.77 115.64 118.52 1wbn s THR 106 Ca -0.06 -1.98 -0.25 0.00 -1.21 0.00 0.00 61.69 58.19 1wbn s THR 106 Cb -0.15 -2.37 -0.09 0.00 -1.51 0.00 0.00 72.50 68.39 1wbn s THR 106 CO 0.05 -0.21 1.33 1.41 -2.21 0.00 0.00 174.62 174.99 1wbn n HIS 107 N -0.30 2.34 -2.32 9.09 8.25 -1.26 0.19 115.22 131.21 1wbn n HIS 107 Ca -0.02 0.47 -0.43 0.00 -0.26 0.00 0.00 57.72 57.48 1wbn n HIS 107 Cb 0.65 -2.40 -0.02 0.00 1.12 0.00 0.00 29.99 29.33 1wbn n HIS 107 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1wbn s LEU 108 N -2.15 4.15 -0.09 2.41 2.96 -0.70 -4.19 118.68 121.07 1wbn s LEU 108 Ca 0.62 1.74 -0.19 0.00 -0.22 0.00 0.00 54.13 56.07 1wbn s LEU 108 Cb -0.48 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.63 1wbn s LEU 108 CO 0.57 -0.87 0.51 -0.04 -1.32 0.00 0.00 176.35 175.20 1wbn s MET 109 N 3.78 4.32 0.00 1.98 -1.94 -1.26 -4.94 119.30 121.24 1wbn s MET 109 Ca 0.60 0.52 0.00 0.00 -1.71 0.00 0.00 55.69 55.10 1wbn s MET 109 Cb -0.24 -3.41 0.00 0.00 2.01 0.00 0.00 34.83 33.19 1wbn s MET 109 CO 0.20 0.20 0.00 0.41 -0.01 0.00 0.00 175.02 175.82 1wbn n GLY 110 N 3.08 0.25 3.79 -0.03 0.00 -1.26 -5.01 105.19 106.00 1wbn n GLY 110 Ca -0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 1wbn n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wbn s ALA 111 N -4.05 3.50 0.64 4.61 0.00 -1.26 -5.00 121.76 120.21 1wbn s ALA 111 Ca 0.00 0.20 0.02 0.00 0.00 0.00 0.00 51.96 52.18 1wbn s ALA 111 Cb 0.00 -2.81 0.09 0.00 0.00 0.00 0.00 23.12 20.40 1wbn s ALA 111 CO 0.00 0.31 0.88 0.16 0.00 0.00 0.00 175.76 177.11 1wbn s ASP 112 N -0.97 4.78 0.45 0.00 1.47 -1.26 -1.23 116.67 119.91 1wbn s ASP 112 Ca 0.33 -0.37 0.24 0.00 1.18 0.00 0.00 52.55 53.93 1wbn s ASP 112 Cb -0.21 -0.20 1.00 0.00 -0.34 0.00 0.00 42.92 43.17 1wbn s ASP 112 CO 0.22 -1.53 1.87 0.25 0.68 0.00 0.00 175.17 176.66 1wbn h LEU 113 N -0.19 0.00 -1.02 2.11 5.85 -0.28 -1.74 115.31 120.03 1wbn h LEU 113 Ca -0.37 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.31 1wbn h LEU 113 Cb 1.28 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.28 1wbn h LEU 113 CO 0.43 0.23 0.24 -1.13 -0.34 0.00 0.00 178.44 177.87 1wbn h ASN 114 N 0.00 0.86 0.53 1.25 -1.24 -1.84 -2.33 115.58 112.82 1wbn h ASN 114 Ca -0.00 -0.13 -0.11 0.00 0.71 0.00 0.00 56.30 56.77 1wbn h ASN 114 Cb 0.67 -0.22 -0.02 0.00 0.73 0.00 0.00 38.32 39.48 1wbn h ASN 114 CO 0.03 0.78 -0.53 0.78 -1.29 0.00 0.00 177.43 177.21 1wbn h ASN 115 N 0.92 0.00 -0.04 1.15 2.35 -1.67 -2.65 115.58 115.64 1wbn h ASN 115 Ca 0.21 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.94 1wbn h ASN 115 Cb 0.20 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.57 1wbn h ASN 115 CO -0.02 0.53 -0.06 0.40 -1.65 0.00 0.00 177.43 176.63 1wbn h ILE 116 N 0.00 1.40 0.00 2.81 1.08 -1.22 -2.50 117.51 119.08 1wbn h ILE 116 Ca -0.01 -1.29 -0.10 0.00 -0.39 0.00 0.00 64.86 63.08 1wbn h ILE 116 Cb 0.94 2.17 -0.01 0.00 -3.07 0.00 0.00 36.82 36.84 1wbn h ILE 116 CO 0.07 0.35 -0.45 -0.37 -0.69 0.00 0.00 178.15 177.05 1wbn h VAL 117 N -0.37 1.10 -0.05 1.67 -1.51 -1.47 -1.21 116.25 114.41 1wbn h VAL 117 Ca 0.00 -1.69 -0.02 0.00 -1.23 0.00 0.00 66.70 63.76 1wbn h VAL 117 Cb 0.60 1.97 -0.00 0.00 -2.13 0.00 0.00 31.29 31.73 1wbn h VAL 117 CO 0.01 0.45 -0.04 0.50 -1.23 0.00 0.00 177.57 177.26 1wbn h LYS 118 N 0.00 0.11 -0.32 5.19 3.64 -1.51 -3.37 116.57 120.31 1wbn h LYS 118 Ca -0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1wbn h LYS 118 Cb 0.94 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1wbn h LYS 118 CO 0.06 0.55 0.00 0.00 -2.27 0.00 0.00 179.45 177.79 1wbn s GLN 120 N -1.01 0.37 0.06 0.00 -0.21 -0.47 -5.04 119.66 113.36 1wbn s GLN 120 Ca 0.24 -0.01 -0.24 0.00 0.02 0.00 0.00 55.36 55.38 1wbn s GLN 120 Cb 0.13 0.16 -0.06 0.00 1.00 0.00 0.00 33.01 34.25 1wbn s GLN 120 CO 0.18 -0.07 0.73 0.21 -2.12 0.00 0.00 175.29 174.21 1wbn s LYS 121 N -0.57 4.46 -0.11 2.91 2.47 -1.26 -4.58 119.74 123.06 1wbn s LYS 121 Ca -0.07 1.01 -0.02 0.00 -1.56 0.00 0.00 55.97 55.33 1wbn s LYS 121 Cb -0.04 -3.33 -0.03 0.00 -1.46 0.00 0.00 37.83 32.97 1wbn s LYS 121 CO 0.01 0.37 -0.04 -0.51 0.16 0.00 0.00 175.35 175.34 1wbn s LEU 122 N -0.33 3.28 0.49 5.43 1.43 -1.26 -5.11 118.68 122.60 1wbn s LEU 122 Ca 0.36 -0.05 -0.07 0.00 -1.03 0.00 0.00 54.13 53.35 1wbn s LEU 122 Cb -0.21 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 1wbn s LEU 122 CO 0.22 0.27 0.82 0.42 0.23 0.00 0.00 176.35 178.31 1wbn s THR 123 N -0.25 4.87 0.40 5.49 -4.23 -1.26 -4.93 115.64 115.73 1wbn s THR 123 Ca 0.04 0.35 0.14 0.00 -1.18 0.00 0.00 61.69 61.04 1wbn s THR 123 Cb -0.13 -3.85 0.35 0.00 1.34 0.00 0.00 72.50 70.22 1wbn s THR 123 CO 0.02 -0.84 1.88 -0.78 -0.54 0.00 0.00 174.62 174.36 1wbn h ASP 124 N 0.30 0.47 -0.30 3.99 3.58 -1.99 0.13 116.42 122.60 1wbn h ASP 124 Ca -0.47 0.03 -0.13 0.00 0.42 0.00 0.00 57.03 56.89 1wbn h ASP 124 Cb 1.20 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 42.18 1wbn h ASP 124 CO 0.62 0.22 -0.29 -0.78 -2.88 0.00 0.00 179.24 176.14 1wbn h ASP 125 N 0.49 0.85 -0.48 2.28 3.58 -1.99 -0.32 116.42 120.82 1wbn h ASP 125 Ca 0.43 -0.34 0.06 0.00 0.42 0.00 0.00 57.03 57.60 1wbn h ASP 125 Cb 0.92 -0.23 -0.05 0.00 1.72 0.00 0.00 39.33 41.68 1wbn h ASP 125 CO -0.16 1.08 0.18 0.45 -2.88 0.00 0.00 179.24 177.91 1wbn h HIS 126 N 0.69 0.33 -0.48 0.28 3.86 -1.17 -2.25 115.15 116.41 1wbn h HIS 126 Ca 0.08 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.26 1wbn h HIS 126 Cb 0.83 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 29.21 1wbn h HIS 126 CO 0.05 0.12 0.07 0.28 0.86 0.00 0.00 177.93 179.31 1wbn h VAL 127 N 0.37 1.25 -0.19 2.45 2.07 -0.67 -1.04 116.25 120.48 1wbn h VAL 127 Ca 0.23 -0.94 0.04 0.00 0.82 0.00 0.00 66.70 66.85 1wbn h VAL 127 Cb 0.22 0.93 -0.07 0.00 -1.52 0.00 0.00 31.29 30.85 1wbn h VAL 127 CO -0.22 0.33 -0.49 1.56 0.02 0.00 0.00 177.57 178.77 1wbn h GLN 128 N 0.67 -0.49 -0.79 1.57 4.20 -0.97 -1.00 115.11 118.30 1wbn h GLN 128 Ca 0.14 0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.84 1wbn h GLN 128 Cb 0.40 0.11 -0.04 0.00 0.30 0.00 0.00 27.48 28.26 1wbn h GLN 128 CO 0.01 -0.33 0.32 0.35 -0.67 0.00 0.00 178.83 178.52 1wbn h PHE 129 N -0.51 1.18 0.01 2.96 3.57 -1.19 0.20 116.94 123.17 1wbn h PHE 129 Ca 0.06 -0.08 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 1wbn h PHE 129 Cb 0.65 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.03 1wbn h PHE 129 CO -0.57 0.89 -0.00 -0.07 -2.23 0.00 0.00 178.31 176.32 1wbn h LEU 130 N 1.14 -0.01 -0.76 0.59 3.38 -1.06 -2.40 115.31 116.19 1wbn h LEU 130 Ca 0.26 -0.42 -0.09 0.00 0.09 0.00 0.00 57.88 57.72 1wbn h LEU 130 Cb 0.20 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1wbn h LEU 130 CO -0.02 0.42 -0.06 0.40 0.09 0.00 0.00 178.44 179.27 1wbn h ILE 131 N -0.44 1.26 -0.49 1.22 1.08 -1.15 -2.82 117.51 116.16 1wbn h ILE 131 Ca -0.00 -1.15 0.10 0.00 -0.39 0.00 0.00 64.86 63.42 1wbn h ILE 131 Cb 0.43 0.94 -0.09 0.00 -3.07 0.00 0.00 36.82 35.04 1wbn h ILE 131 CO 0.00 0.40 -0.06 0.22 -0.69 0.00 0.00 178.15 178.02 1wbn h TYR 132 N 0.80 -0.15 -0.33 1.37 3.20 -0.56 -1.05 116.97 120.26 1wbn h TYR 132 Ca 0.14 0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.96 1wbn h TYR 132 Cb 0.57 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.97 1wbn h TYR 132 CO 0.03 -0.17 -0.18 1.96 -1.64 0.00 0.00 178.16 178.16 1wbn h GLN 133 N 0.05 0.60 -0.13 1.82 4.20 -1.31 0.21 115.11 120.55 1wbn h GLN 133 Ca 0.24 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 1wbn h GLN 133 Cb 0.37 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 1wbn h GLN 133 CO -0.46 0.75 0.04 0.82 -0.67 0.00 0.00 178.83 179.30 1wbn h ILE 134 N 0.54 1.19 -0.79 2.54 2.04 -1.17 -0.78 117.51 121.08 1wbn h ILE 134 Ca 0.09 -0.58 -0.03 0.00 1.00 0.00 0.00 64.86 65.34 1wbn h ILE 134 Cb 0.62 1.33 -0.04 0.00 -0.74 0.00 0.00 36.82 37.99 1wbn h ILE 134 CO 0.04 0.17 0.36 -0.07 0.00 0.00 0.00 178.15 178.65 1wbn h LEU 135 N 0.02 1.04 -0.06 1.44 3.38 -1.00 0.73 115.31 120.85 1wbn h LEU 135 Ca 0.04 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1wbn h LEU 135 Cb 0.23 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1wbn h LEU 135 CO -0.00 0.89 0.04 -0.09 0.09 0.00 0.00 178.44 179.36 1wbn h ARG 136 N 1.12 0.08 -0.64 1.13 2.43 -0.76 0.04 114.38 117.78 1wbn h ARG 136 Ca 0.27 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.38 1wbn h ARG 136 Cb 0.14 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 1wbn h ARG 136 CO -0.03 0.09 0.21 0.78 -1.51 0.00 0.00 179.97 179.50 1wbn h GLY 137 N 0.05 1.04 1.44 2.80 0.00 -0.91 -3.02 103.07 104.47 1wbn h GLY 137 Ca 0.02 -0.58 -0.14 0.00 0.00 0.00 0.00 47.33 46.63 1wbn h GLY 137 CO -0.00 0.55 -0.41 -2.00 0.00 0.00 0.00 176.54 174.67 1wbn h LEU 138 N 0.94 0.65 -0.43 3.11 5.85 -0.48 -0.52 115.31 124.44 1wbn h LEU 138 Ca 0.21 -0.30 0.07 0.00 0.84 0.00 0.00 57.88 58.71 1wbn h LEU 138 Cb 0.26 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.04 1wbn h LEU 138 CO -0.01 0.99 0.07 0.50 -0.34 0.00 0.00 178.44 179.65 1wbn h LYS 139 N 0.50 0.19 -0.02 1.25 3.64 -0.88 0.71 116.57 121.97 1wbn h LYS 139 Ca 0.04 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1wbn h LYS 139 Cb 0.93 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.68 1wbn h LYS 139 CO 0.08 0.13 -0.07 -0.92 -2.27 0.00 0.00 179.45 176.40 1wbn h TYR 140 N 0.20 -0.18 -0.35 1.91 5.03 -1.29 -1.27 116.97 121.02 1wbn h TYR 140 Ca 0.21 0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.51 1wbn h TYR 140 Cb 0.27 0.08 -0.02 0.00 1.55 0.00 0.00 36.73 38.62 1wbn h TYR 140 CO -0.22 -0.11 0.14 0.82 -1.32 0.00 0.00 178.16 177.47 1wbn h ILE 141 N -0.12 1.19 -0.20 1.81 2.04 -0.65 -2.74 117.51 118.84 1wbn h ILE 141 Ca 0.04 -0.58 -0.05 0.00 1.00 0.00 0.00 64.86 65.26 1wbn h ILE 141 Cb 0.17 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1wbn h ILE 141 CO -0.09 0.21 -0.10 0.45 0.00 0.00 0.00 178.15 178.61 1wbn h HIS 142 N 0.43 0.33 0.00 1.37 3.86 -0.83 -2.34 115.15 117.97 1wbn h HIS 142 Ca 0.12 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 1wbn h HIS 142 Cb 0.19 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.56 1wbn h HIS 142 CO -0.00 0.42 0.00 -1.13 0.86 0.00 0.00 177.93 178.08 1wbn n SER 143 N -4.27 0.11 -1.14 2.45 3.41 -0.48 -0.91 113.62 112.79 1wbn n SER 143 Ca -0.00 0.52 0.10 0.00 -0.26 0.00 0.00 58.87 59.23 1wbn n SER 143 Cb 0.27 -0.55 0.27 0.00 -0.26 0.00 0.00 64.21 63.95 1wbn n SER 143 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wbn n ALA 144 N -1.54 2.41 -3.78 7.33 0.00 -0.91 -4.71 120.51 119.30 1wbn n ALA 144 Ca 0.04 -1.07 -0.28 0.00 0.00 0.00 0.00 53.44 52.13 1wbn n ALA 144 Cb 0.22 -0.95 0.04 0.00 0.00 0.00 0.00 19.45 18.77 1wbn n ALA 144 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1wbn n ASP 145 N 1.31 -5.29 -4.60 0.00 8.00 -0.09 -4.71 116.55 111.18 1wbn n ASP 145 Ca 0.21 -0.68 -0.34 0.00 0.71 0.00 0.00 54.79 54.68 1wbn n ASP 145 Cb 0.53 -4.21 -0.11 0.00 -0.02 0.00 0.00 41.12 37.31 1wbn n ASP 145 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1wbn s ILE 146 N -3.29 4.03 -0.11 0.53 1.01 -1.04 -5.04 121.20 117.30 1wbn s ILE 146 Ca 0.63 -0.34 -0.03 0.00 0.00 0.00 0.00 60.65 60.92 1wbn s ILE 146 Cb -0.30 -2.71 -0.03 0.00 0.01 0.00 0.00 42.46 39.42 1wbn s ILE 146 CO 0.78 0.56 -0.01 -0.63 0.00 0.00 0.00 174.94 175.64 1wbn s ILE 147 N -0.42 4.18 -0.03 2.92 1.01 -1.26 -3.77 121.20 123.83 1wbn s ILE 147 Ca 0.07 -0.28 -0.23 0.00 0.00 0.00 0.00 60.65 60.21 1wbn s ILE 147 Cb -0.12 -2.79 -0.16 0.00 0.01 0.00 0.00 42.46 39.40 1wbn s ILE 147 CO 0.02 0.56 1.03 -0.74 0.00 0.00 0.00 174.94 175.81 1wbn h HIS 148 N 5.76 -0.27 0.00 3.97 -0.00 -1.96 -3.47 115.15 119.18 1wbn h HIS 148 Ca -0.44 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 59.93 1wbn h HIS 148 Cb 1.19 0.09 0.00 0.00 -0.00 0.00 0.00 27.41 28.69 1wbn h HIS 148 CO 0.59 0.13 0.00 0.54 -0.00 0.00 0.00 177.93 179.18 1wbn n ARG 149 N -5.00 0.00 -2.59 5.26 1.74 -1.26 -4.71 116.66 110.10 1wbn n ARG 149 Ca -0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 1wbn n ARG 149 Cb 0.26 -1.38 0.04 0.00 -1.02 0.00 0.00 32.46 30.36 1wbn n ARG 149 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1wbn n ASP 150 N 0.00 1.51 -4.66 0.55 2.03 -1.26 -5.00 116.55 109.73 1wbn n ASP 150 Ca 0.00 -2.04 -0.42 0.00 0.52 0.00 0.00 54.79 52.84 1wbn n ASP 150 Cb 0.00 -0.45 -0.03 0.00 -0.72 0.00 0.00 41.12 39.92 1wbn n ASP 150 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1wbn s LEU 151 N -3.13 4.35 0.20 -2.67 1.43 -1.26 -4.84 118.68 112.76 1wbn s LEU 151 Ca 0.29 2.55 -0.13 0.00 -1.03 0.00 0.00 54.13 55.80 1wbn s LEU 151 Cb 0.33 -3.53 0.01 0.00 0.03 0.00 0.00 46.19 43.03 1wbn s LEU 151 CO -0.06 -1.10 0.43 -1.59 0.23 0.00 0.00 176.35 174.26 1wbn s LYS 152 N 4.53 1.36 0.38 1.70 -2.85 -1.26 -4.82 119.74 118.78 1wbn s LYS 152 Ca 0.87 -1.08 0.16 0.00 -1.00 0.00 0.00 55.97 54.92 1wbn s LYS 152 Cb -0.40 0.46 1.04 0.00 -2.06 0.00 0.00 37.83 36.86 1wbn s LYS 152 CO 0.39 -0.55 1.78 -1.35 0.10 0.00 0.00 175.35 175.72 1wbn h PRO 153 N 2.33 0.44 0.00 1.78 0.11 -1.94 -0.38 132.00 134.34 1wbn h PRO 153 Ca -0.29 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1wbn h PRO 153 Cb 1.25 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1wbn h PRO 153 CO 0.40 0.29 0.00 0.66 -0.21 0.00 0.00 178.00 179.15 1wbn h SER 154 N 0.46 0.00 -0.47 -2.05 4.64 -1.94 -1.98 113.55 112.20 1wbn h SER 154 Ca 0.58 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.90 1wbn h SER 154 Cb 1.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 1wbn h SER 154 CO -0.31 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.24 1wbn n ASN 155 N -2.97 3.31 -4.13 4.97 5.03 -0.16 -4.80 115.26 116.52 1wbn n ASN 155 Ca 0.01 -2.24 -0.33 0.00 0.87 0.00 0.00 54.58 52.89 1wbn n ASN 155 Cb 0.33 -0.45 -0.16 0.00 -1.02 0.00 0.00 39.78 38.48 1wbn n ASN 155 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1wbn s LEU 156 N -1.34 2.29 -0.01 3.41 1.43 -0.80 -2.06 118.68 121.61 1wbn s LEU 156 Ca 0.35 -0.70 -0.16 0.00 -1.03 0.00 0.00 54.13 52.60 1wbn s LEU 156 Cb 0.22 -1.50 -0.06 0.00 0.03 0.00 0.00 46.19 44.88 1wbn s LEU 156 CO 0.19 -0.02 0.44 0.00 0.23 0.00 0.00 176.35 177.18 1wbn s ALA 157 N 1.29 3.65 -0.04 4.21 0.00 -0.05 -0.57 121.76 130.24 1wbn s ALA 157 Ca 0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 51.96 51.80 1wbn s ALA 157 Cb -0.14 -2.46 0.03 0.00 0.00 0.00 0.00 23.12 20.55 1wbn s ALA 157 CO -0.12 0.38 0.05 0.08 0.00 0.00 0.00 175.76 176.16 1wbn s VAL 158 N -0.76 -0.08 0.00 0.00 1.01 -0.36 -0.90 120.40 119.31 1wbn s VAL 158 Ca 0.24 0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.59 1wbn s VAL 158 Cb -0.17 -0.15 0.00 0.00 0.00 0.00 0.00 36.38 36.06 1wbn s VAL 158 CO 0.13 0.16 0.00 -0.46 0.00 0.00 0.00 175.10 174.94 1wbn n ASN 159 N 5.03 0.00 0.17 3.32 0.23 -0.89 -4.27 115.26 118.85 1wbn n ASN 159 Ca -0.09 -0.98 0.13 0.00 -0.53 0.00 0.00 54.58 53.11 1wbn n ASN 159 Cb 0.50 0.00 0.53 0.00 -2.08 0.00 0.00 39.78 38.73 1wbn n ASN 159 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1wbn h GLU 160 N 0.00 0.00 -0.65 -3.83 5.08 -2.00 -1.63 114.58 111.56 1wbn h GLU 160 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1wbn h GLU 160 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1wbn h GLU 160 CO 0.00 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 177.76 1wbn n ASP 161 N -2.46 4.69 -1.64 1.42 8.00 -1.26 -4.93 116.55 120.38 1wbn n ASP 161 Ca 0.02 -2.49 -0.21 0.00 0.71 0.00 0.00 54.79 52.82 1wbn n ASP 161 Cb 0.27 -0.58 -0.09 0.00 -0.02 0.00 0.00 41.12 40.70 1wbn n ASP 161 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wbn s GLU 163 N -3.82 4.69 -0.04 0.00 2.02 -1.26 -4.75 118.70 115.53 1wbn s GLU 163 Ca 0.00 1.41 0.03 0.00 0.02 0.00 0.00 54.97 56.42 1wbn s GLU 163 Cb 0.00 -2.99 0.01 0.00 0.10 0.00 0.00 34.13 31.24 1wbn s GLU 163 CO 0.00 0.36 -0.11 -1.17 0.02 0.00 0.00 175.26 174.37 1wbn s LEU 164 N -1.71 1.73 -0.05 1.80 0.20 -1.26 -2.08 118.68 117.30 1wbn s LEU 164 Ca 0.47 -0.24 0.05 0.00 0.69 0.00 0.00 54.13 55.10 1wbn s LEU 164 Cb -0.22 -0.68 -0.01 0.00 -0.43 0.00 0.00 46.19 44.85 1wbn s LEU 164 CO 0.27 0.06 -0.21 -0.54 -0.29 0.00 0.00 176.35 175.64 1wbn s LYS 165 N 0.36 2.17 -0.08 1.98 1.02 -0.08 -4.37 119.74 120.73 1wbn s LYS 165 Ca -0.07 -0.77 -0.25 0.00 0.02 0.00 0.00 55.97 54.90 1wbn s LYS 165 Cb -0.12 -1.87 -0.03 0.00 -0.52 0.00 0.00 37.83 35.30 1wbn s LYS 165 CO 0.02 0.32 0.80 0.42 -0.92 0.00 0.00 175.35 175.98 1wbn s ILE 166 N -0.09 4.96 0.00 2.17 1.01 0.35 -0.87 121.20 128.72 1wbn s ILE 166 Ca -0.03 1.62 0.00 0.00 0.00 0.00 0.00 60.65 62.24 1wbn s ILE 166 Cb -0.12 -4.13 0.00 0.00 0.01 0.00 0.00 42.46 38.22 1wbn s ILE 166 CO 0.03 0.17 0.00 0.00 0.00 0.00 0.00 174.94 175.13 1wbn n LEU 167 N 4.24 0.00 -3.70 2.97 -0.00 -0.87 -1.83 117.00 117.81 1wbn n LEU 167 Ca 0.02 0.00 -0.28 0.00 -0.00 0.00 0.00 56.01 55.75 1wbn n LEU 167 Cb 0.50 0.00 -0.16 0.00 -0.00 0.00 0.00 43.42 43.76 1wbn n LEU 167 CO 0.48 0.00 -0.35 -0.62 -0.00 0.00 0.00 177.39 176.90 1wbn s ASP 168 N 0.13 3.18 0.00 1.45 -1.08 -1.26 -4.74 116.67 114.35 1wbn s ASP 168 Ca 0.00 -1.04 0.18 0.00 -0.52 0.00 0.00 52.55 51.18 1wbn s ASP 168 Cb 0.00 -0.59 0.80 0.00 -1.46 0.00 0.00 42.92 41.67 1wbn s ASP 168 CO 0.00 -0.35 1.59 0.49 0.52 0.00 0.00 175.17 177.42 1wbn n PHE 169 N 5.06 0.00 -1.68 -5.34 3.01 -1.26 -4.90 117.46 112.35 1wbn n PHE 169 Ca -0.07 0.00 -0.45 0.00 1.01 0.00 0.00 57.45 57.94 1wbn n PHE 169 Cb 0.46 -0.48 -0.03 0.00 -0.01 0.00 0.00 39.48 39.41 1wbn n PHE 169 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1wbn n GLY 170 N 0.39 1.01 0.00 1.37 0.00 -1.26 -4.88 105.19 101.81 1wbn n GLY 170 Ca 0.05 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.64 1wbn n GLY 170 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wbn n LEU 171 N 2.81 0.97 -4.57 0.99 4.77 -1.26 -5.03 117.00 115.67 1wbn n LEU 171 Ca 0.14 -0.97 -0.26 0.00 -0.03 0.00 0.00 56.01 54.89 1wbn n LEU 171 Cb 0.31 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.29 1wbn n LEU 171 CO 0.63 0.24 -0.31 0.00 -1.33 0.00 0.00 177.39 176.62 1wbn s ALA 172 N -0.05 2.97 0.45 -1.18 0.00 -1.26 -0.55 121.76 122.14 1wbn s ALA 172 Ca 0.00 -2.21 -0.25 0.00 0.00 0.00 0.00 51.96 49.49 1wbn s ALA 172 Cb 0.00 0.20 -0.09 0.00 0.00 0.00 0.00 23.12 23.23 1wbn s ALA 172 CO 0.00 -0.11 1.42 0.54 0.00 0.00 0.00 175.76 177.61 1wbn n ARG 173 N -0.88 2.23 -2.97 0.00 5.12 -1.26 -4.91 116.66 114.00 1wbn n ARG 173 Ca -0.05 0.79 -0.44 0.00 -1.93 0.00 0.00 57.85 56.23 1wbn n ARG 173 Cb 0.66 -2.61 -0.02 0.00 -1.16 0.00 0.00 32.46 29.33 1wbn n ARG 173 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 1wbn s HIS 174 N -1.19 3.24 0.38 -1.55 3.76 -1.26 -5.00 115.29 113.67 1wbn s HIS 174 Ca 0.61 -1.57 0.08 0.00 -0.15 0.00 0.00 55.06 54.03 1wbn s HIS 174 Cb -0.46 -4.24 -0.02 0.00 1.11 0.00 0.00 32.58 28.97 1wbn s HIS 174 CO 0.58 -1.43 0.38 0.95 -0.85 0.00 0.00 174.74 174.36 1wbn s THR 175 N 2.27 3.09 0.38 1.30 -4.23 -1.26 -5.01 115.64 112.18 1wbn s THR 175 Ca 0.33 -1.29 0.06 0.00 -1.18 0.00 0.00 61.69 59.61 1wbn s THR 175 Cb -0.05 -3.09 0.28 0.00 1.34 0.00 0.00 72.50 70.98 1wbn s THR 175 CO -0.08 -0.07 2.00 0.44 -0.54 0.00 0.00 174.62 176.37 1wbn h ASP 176 N 1.05 0.60 -0.52 3.99 3.32 -1.99 -2.72 116.42 120.15 1wbn h ASP 176 Ca -0.43 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 56.53 1wbn h ASP 176 Cb 1.26 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.65 1wbn h ASP 176 CO 0.56 0.41 0.01 -0.78 -1.72 0.00 0.00 179.24 177.71 1wbn h ASP 177 N 0.69 0.92 0.93 6.45 3.58 -1.96 -2.69 116.42 124.34 1wbn h ASP 177 Ca 0.25 -0.24 -0.05 0.00 0.42 0.00 0.00 57.03 57.41 1wbn h ASP 177 Cb 0.12 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 40.92 1wbn h ASP 177 CO -0.07 0.98 -0.23 1.05 -2.88 0.00 0.00 179.24 178.09 1wbn h GLU 178 N 0.88 0.00 -0.01 0.28 4.11 -1.87 -2.26 114.58 115.71 1wbn h GLU 178 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.59 1wbn h GLU 178 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1wbn h GLU 178 CO 0.02 0.23 -0.01 -1.33 0.07 0.00 0.00 179.01 177.99 1wbn n MET 179 N -3.39 1.36 -3.25 1.06 2.81 -1.03 -4.74 117.12 109.94 1wbn n MET 179 Ca 0.00 -0.57 -0.39 0.00 -1.81 0.00 0.00 57.70 54.93 1wbn n MET 179 Cb 0.43 -1.49 -0.06 0.00 -0.71 0.00 0.00 33.22 31.40 1wbn n MET 179 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1wbn s THR 180 N -2.03 4.89 0.00 2.03 2.01 -0.85 -4.81 115.64 116.87 1wbn s THR 180 Ca 0.41 1.19 0.00 0.00 0.31 0.00 0.00 61.69 63.60 1wbn s THR 180 Cb 0.21 -3.90 0.00 0.00 0.01 0.00 0.00 72.50 68.82 1wbn s THR 180 CO 0.36 0.46 0.00 0.61 -0.69 0.00 0.00 174.62 175.36 1wbn n GLY 181 N 2.27 -0.13 3.40 4.40 0.00 -1.26 -4.55 105.19 109.32 1wbn n GLY 181 Ca -0.08 -1.38 -0.44 0.00 0.00 0.00 0.00 46.02 44.12 1wbn n GLY 181 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1wbn n TYR 182 N 0.99 4.80 -4.03 1.61 9.36 -1.19 -3.53 117.16 125.16 1wbn n TYR 182 Ca 0.00 -3.34 -0.18 0.00 3.32 0.00 0.00 57.90 57.70 1wbn n TYR 182 Cb 0.00 -2.14 -0.16 0.00 -0.63 0.00 0.00 39.34 36.41 1wbn n TYR 182 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 1wbn s VAL 183 N 1.27 0.34 0.62 2.97 -7.23 -1.26 -5.00 120.40 112.10 1wbn s VAL 183 Ca 0.42 -0.01 0.31 0.00 -1.81 0.00 0.00 61.98 60.89 1wbn s VAL 183 Cb -0.02 -0.40 0.36 0.00 0.56 0.00 0.00 36.38 36.87 1wbn s VAL 183 CO -0.00 0.18 2.03 0.00 -0.31 0.00 0.00 175.10 177.00 1wbn h ALA 184 N 7.23 1.63 -0.31 1.32 0.00 -1.93 -1.23 119.26 125.98 1wbn h ALA 184 Ca -0.40 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.59 1wbn h ALA 184 Cb 1.14 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1wbn h ALA 184 CO 0.47 -0.36 0.25 1.79 0.00 0.00 0.00 179.25 181.40 1wbn h THR 185 N 0.00 0.68 0.00 0.00 1.35 -1.95 -3.04 112.91 109.96 1wbn h THR 185 Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.93 1wbn h THR 185 Cb 0.63 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 67.87 1wbn h THR 185 CO -0.00 0.00 -1.06 -1.14 -0.25 0.00 0.00 175.52 173.07 1wbn n ARG 186 N -4.19 1.72 0.30 4.72 0.63 -0.47 -4.62 116.66 114.74 1wbn n ARG 186 Ca 0.05 -0.06 0.18 0.00 -0.92 0.00 0.00 57.85 57.10 1wbn n ARG 186 Cb 0.42 -1.18 0.90 0.00 0.45 0.00 0.00 32.46 33.04 1wbn n ARG 186 CO 0.00 0.00 0.00 -1.49 -2.51 0.00 0.00 177.63 173.63 1wbn h TRP 187 N 0.00 0.00 -0.33 -0.14 6.55 -1.53 -2.73 115.95 117.77 1wbn h TRP 187 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 1wbn h TRP 187 Cb 0.43 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.73 1wbn h TRP 187 CO 0.00 0.04 0.00 0.66 -1.05 0.00 0.00 178.44 178.09 1wbn n TYR 188 N -3.31 0.42 -2.88 0.49 4.02 -1.26 -4.57 117.16 110.07 1wbn n TYR 188 Ca -0.02 -0.29 -0.41 0.00 -0.01 0.00 0.00 57.90 57.18 1wbn n TYR 188 Cb 0.19 -0.01 -0.04 0.00 -0.02 0.00 0.00 39.34 39.46 1wbn n TYR 188 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1wbn s ARG 189 N -1.20 4.52 0.27 -0.72 1.81 -1.03 -3.87 118.95 118.73 1wbn s ARG 189 Ca 0.30 1.17 -0.29 0.00 -1.72 0.00 0.00 55.73 55.18 1wbn s ARG 189 Cb 0.17 -3.43 -0.14 0.00 -0.45 0.00 0.00 34.95 31.10 1wbn s ARG 189 CO 0.24 0.07 1.11 0.00 -0.68 0.00 0.00 175.30 176.04 1wbn n ALA 190 N 3.59 -0.00 0.04 2.13 0.00 -1.26 -4.82 120.51 120.19 1wbn n ALA 190 Ca 0.02 0.40 0.04 0.00 0.00 0.00 0.00 53.44 53.90 1wbn n ALA 190 Cb 0.51 -2.08 0.44 0.00 0.00 0.00 0.00 19.45 18.32 1wbn n ALA 190 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1wbn h PRO 191 N 2.54 0.44 0.00 0.00 0.13 -1.95 -1.67 132.00 131.49 1wbn h PRO 191 Ca -0.41 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 64.64 1wbn h PRO 191 Cb 1.33 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1wbn h PRO 191 CO 0.64 0.33 -0.18 1.05 -0.23 0.00 0.00 178.00 179.61 1wbn h GLU 192 N 0.45 0.00 0.00 0.86 9.09 -1.91 -0.01 114.58 123.06 1wbn h GLU 192 Ca 0.12 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.53 1wbn h GLU 192 Cb 0.01 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.11 1wbn h GLU 192 CO -0.02 0.18 -1.20 1.51 0.05 0.00 0.00 179.01 179.53 1wbn n ILE 193 N -3.44 0.07 0.04 -1.06 3.06 -0.82 -0.34 119.36 116.88 1wbn n ILE 193 Ca -0.00 -0.21 -0.22 0.00 -2.50 0.00 0.00 62.75 59.82 1wbn n ILE 193 Cb 0.36 0.43 -0.14 0.00 0.54 0.00 0.00 39.64 40.83 1wbn n ILE 193 CO 0.00 0.00 0.00 -0.03 -2.50 0.00 0.00 176.55 174.02 1wbn h MET 194 N 0.00 0.34 -0.57 9.51 4.05 -0.86 -3.35 114.93 124.04 1wbn h MET 194 Ca 0.00 -0.58 0.00 0.00 -0.28 0.00 0.00 59.70 58.84 1wbn h MET 194 Cb 0.70 0.22 0.00 0.00 -0.80 0.00 0.00 31.60 31.72 1wbn h MET 194 CO 0.00 1.28 0.00 1.28 0.23 0.00 0.00 176.91 179.70 1wbn n LEU 195 N -3.55 4.53 -3.82 3.39 7.99 -0.06 -5.00 117.00 120.48 1wbn n LEU 195 Ca -0.28 -2.49 -0.31 0.00 -0.01 0.00 0.00 56.01 52.92 1wbn n LEU 195 Cb 1.06 -0.54 0.01 0.00 -0.11 0.00 0.00 43.42 43.84 1wbn n LEU 195 CO 0.47 0.78 -0.15 -3.20 -1.51 0.00 0.00 177.39 173.79 1wbn n ASN 196 N 0.86 -4.91 0.08 -1.43 4.05 -0.92 -4.87 115.26 108.12 1wbn n ASN 196 Ca 0.24 -1.02 -0.06 0.00 0.45 0.00 0.00 54.58 54.18 1wbn n ASN 196 Cb 0.86 -2.20 -0.05 0.00 1.23 0.00 0.00 39.78 39.62 1wbn n ASN 196 CO 0.00 0.00 0.00 -0.50 -3.05 0.00 0.00 177.26 173.71 1wbn h TRP 197 N -1.27 0.05 -1.57 1.20 6.55 -0.95 -3.43 115.95 116.53 1wbn h TRP 197 Ca -0.62 -0.03 0.33 0.00 0.95 0.00 0.00 58.89 59.52 1wbn h TRP 197 Cb 1.37 -0.00 -0.11 0.00 -0.86 0.00 0.00 29.16 29.55 1wbn h TRP 197 CO 0.29 0.94 0.85 0.00 -1.05 0.00 0.00 178.44 179.46 1wbn s MET 198 N -2.93 0.40 0.10 0.49 0.23 -1.26 -0.74 119.30 115.59 1wbn s MET 198 Ca -0.00 -0.23 -0.31 0.00 -1.03 0.00 0.00 55.69 54.12 1wbn s MET 198 Cb 0.10 0.13 -0.09 0.00 -1.53 0.00 0.00 34.83 33.44 1wbn s MET 198 CO 0.81 -0.18 1.75 -1.01 -2.03 0.00 0.00 175.02 174.36 1wbn s HIS 199 N -2.33 2.28 0.53 3.16 3.76 -1.26 -4.90 115.29 116.53 1wbn s HIS 199 Ca 0.17 0.14 0.08 0.00 -0.15 0.00 0.00 55.06 55.31 1wbn s HIS 199 Cb 0.04 -4.08 0.05 0.00 1.11 0.00 0.00 32.58 29.70 1wbn s HIS 199 CO -0.03 -4.40 0.64 1.52 -0.85 0.00 0.00 174.74 171.62 1wbn s TYR 200 N 2.67 1.81 0.18 1.40 -0.85 -1.26 -5.13 117.35 116.17 1wbn s TYR 200 Ca 0.78 -0.67 -0.02 0.00 -0.52 0.00 0.00 57.07 56.64 1wbn s TYR 200 Cb -0.43 -2.18 0.01 0.00 0.38 0.00 0.00 41.96 39.74 1wbn s TYR 200 CO 0.34 -0.80 0.27 0.27 -1.52 0.00 0.00 175.55 174.11 1wbn n ASN 201 N -2.02 -0.76 -0.32 -0.18 6.94 -1.26 -5.05 115.26 112.61 1wbn n ASN 201 Ca 0.10 -1.95 0.22 0.00 -0.02 0.00 0.00 54.58 52.93 1wbn n ASN 201 Cb 0.62 1.39 0.43 0.00 -2.36 0.00 0.00 39.78 39.86 1wbn n ASN 201 CO 0.00 0.00 0.00 1.56 -1.03 0.00 0.00 177.26 177.79 1wbn h GLN 202 N 0.00 0.25 0.00 -3.83 4.20 -1.98 -2.05 115.11 111.70 1wbn h GLN 202 Ca -0.14 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.55 1wbn h GLN 202 Cb 0.61 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.33 1wbn h GLN 202 CO 0.19 0.16 0.00 0.25 -0.67 0.00 0.00 178.83 178.77 1wbn n THR 203 N -5.13 1.42 -0.35 -0.54 -2.24 -1.26 -1.41 114.28 104.76 1wbn n THR 203 Ca 0.30 0.35 -0.00 0.00 -2.27 0.00 0.00 64.05 62.42 1wbn n THR 203 Cb 0.93 -1.25 0.13 0.00 -2.10 0.00 0.00 70.33 68.04 1wbn n THR 203 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 1wbn h VAL 204 N 0.00 1.16 -0.32 2.28 -1.51 -1.76 -2.27 116.25 113.83 1wbn h VAL 204 Ca 0.00 -0.41 -0.08 0.00 -1.23 0.00 0.00 66.70 64.98 1wbn h VAL 204 Cb 0.09 -0.14 -0.02 0.00 -2.13 0.00 0.00 31.29 29.10 1wbn h VAL 204 CO 0.00 0.22 -0.14 0.44 -1.23 0.00 0.00 177.57 176.85 1wbn h ASP 205 N 1.19 0.55 -0.78 4.19 3.32 -1.48 -2.71 116.42 120.70 1wbn h ASP 205 Ca 0.38 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 1wbn h ASP 205 Cb 0.00 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.37 1wbn h ASP 205 CO -0.12 0.72 0.45 0.40 -1.72 0.00 0.00 179.24 178.96 1wbn h ILE 206 N 0.51 1.23 -0.77 0.35 1.08 -1.55 -1.88 117.51 116.47 1wbn h ILE 206 Ca 0.09 -0.53 0.03 0.00 -0.39 0.00 0.00 64.86 64.05 1wbn h ILE 206 Cb 0.55 0.14 -0.05 0.00 -3.07 0.00 0.00 36.82 34.40 1wbn h ILE 206 CO 0.03 0.25 0.49 -0.25 -0.69 0.00 0.00 178.15 177.98 1wbn h TRP 207 N 1.09 0.93 -0.75 1.37 2.91 -1.13 -1.55 115.95 118.82 1wbn h TRP 207 Ca 0.28 0.02 -0.00 0.00 1.13 0.00 0.00 58.89 60.32 1wbn h TRP 207 Cb -0.01 -0.31 -0.04 0.00 -0.51 0.00 0.00 29.16 28.30 1wbn h TRP 207 CO 0.01 0.54 0.46 0.77 -1.03 0.00 0.00 178.44 179.19 1wbn h SER 208 N 0.97 0.89 -0.78 2.65 0.02 -1.24 -1.61 113.55 114.45 1wbn h SER 208 Ca 0.30 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.19 1wbn h SER 208 Cb -0.01 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.27 1wbn h SER 208 CO -0.10 0.68 0.46 0.58 -1.14 0.00 0.00 176.83 177.31 1wbn h VAL 209 N 1.02 1.22 -0.41 2.27 2.07 -0.99 0.22 116.25 121.64 1wbn h VAL 209 Ca 0.27 -0.50 0.08 0.00 0.82 0.00 0.00 66.70 67.37 1wbn h VAL 209 Cb -0.06 0.14 -0.09 0.00 -1.52 0.00 0.00 31.29 29.76 1wbn h VAL 209 CO -0.05 0.23 -0.35 1.23 0.02 0.00 0.00 177.57 178.65 1wbn h GLY 210 N 1.07 -0.30 1.16 2.17 0.00 -0.65 0.53 103.07 107.04 1wbn h GLY 210 Ca 0.28 0.44 -0.03 0.00 0.00 0.00 0.00 47.33 48.02 1wbn h GLY 210 CO -0.05 -0.20 0.36 0.00 0.00 0.00 0.00 176.54 176.65 1wbn h ILE 212 N 1.08 1.30 -0.02 0.00 2.04 0.11 -2.76 117.51 119.26 1wbn h ILE 212 Ca 0.26 -1.21 0.00 0.00 1.00 0.00 0.00 64.86 64.91 1wbn h ILE 212 Cb 0.12 1.58 -0.00 0.00 -0.74 0.00 0.00 36.82 37.77 1wbn h ILE 212 CO -0.03 0.38 0.01 -0.03 0.00 0.00 0.00 178.15 178.47 1wbn h MET 213 N 0.23 0.02 -0.64 2.37 4.05 0.16 -1.40 114.93 119.72 1wbn h MET 213 Ca 0.05 -0.00 0.13 0.00 -0.28 0.00 0.00 59.70 59.60 1wbn h MET 213 Cb 0.63 -0.00 -0.10 0.00 -0.80 0.00 0.00 31.60 31.33 1wbn h MET 213 CO 0.04 0.01 0.08 0.00 0.23 0.00 0.00 176.91 177.27 1wbn h ALA 214 N 1.01 0.72 0.00 0.39 0.00 -1.40 -1.19 119.26 118.79 1wbn h ALA 214 Ca 0.01 0.16 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 1wbn h ALA 214 Cb 0.00 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1wbn h ALA 214 CO -0.01 -0.35 -0.32 1.49 0.00 0.00 0.00 179.25 180.06 1wbn h GLU 215 N 0.20 0.00 -0.04 0.00 4.81 -1.15 -0.63 114.58 117.76 1wbn h GLU 215 Ca 0.34 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.42 1wbn h GLU 215 Cb 0.55 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1wbn h GLU 215 CO -0.48 0.32 -0.65 -0.07 -0.73 0.00 0.00 179.01 177.40 1wbn h LEU 216 N 0.00 0.21 -0.06 1.64 3.38 -0.15 0.27 115.31 120.60 1wbn h LEU 216 Ca -0.00 -0.13 -0.25 0.00 0.09 0.00 0.00 57.88 57.58 1wbn h LEU 216 Cb 0.63 -0.06 0.02 0.00 0.09 0.00 0.00 40.66 41.34 1wbn h LEU 216 CO 0.04 0.80 -0.98 -0.07 0.09 0.00 0.00 178.44 178.32 1wbn h LEU 217 N 0.13 0.88 0.00 1.67 3.38 -0.44 -3.36 115.31 117.57 1wbn h LEU 217 Ca -0.01 -0.68 -0.10 0.00 0.09 0.00 0.00 57.88 57.18 1wbn h LEU 217 Cb 1.17 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 1wbn h LEU 217 CO 0.10 1.48 -2.08 0.35 0.09 0.00 0.00 178.44 178.37 1wbn n THR 218 N -3.86 0.37 -1.13 0.22 -2.24 -0.33 -4.98 114.28 102.33 1wbn n THR 218 Ca -0.10 -0.59 -0.05 0.00 -2.27 0.00 0.00 64.05 61.05 1wbn n THR 218 Cb 0.85 -0.12 -0.02 0.00 -2.10 0.00 0.00 70.33 68.94 1wbn n THR 218 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wbn n GLY 219 N 1.42 0.73 3.08 3.38 0.00 0.95 -5.04 105.19 109.71 1wbn n GLY 219 Ca -0.12 -0.63 -0.14 0.00 0.00 0.00 0.00 46.02 45.13 1wbn n GLY 219 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wbn s ARG 220 N -2.08 0.59 0.29 1.61 1.81 -1.21 -4.98 118.95 114.97 1wbn s ARG 220 Ca 0.00 -0.76 -0.30 0.00 -1.72 0.00 0.00 55.73 52.95 1wbn s ARG 220 Cb 0.00 -0.42 -0.11 0.00 -0.45 0.00 0.00 34.95 33.97 1wbn s ARG 220 CO 0.00 0.08 1.58 0.99 -0.68 0.00 0.00 175.30 177.28 1wbn s THR 221 N -1.26 2.10 -0.05 0.02 2.01 -1.26 -4.05 115.64 113.14 1wbn s THR 221 Ca -0.07 0.08 -0.26 0.00 0.31 0.00 0.00 61.69 61.75 1wbn s THR 221 Cb -0.09 -3.05 -0.22 0.00 0.01 0.00 0.00 72.50 69.14 1wbn s THR 221 CO 0.01 0.01 1.09 0.25 -0.69 0.00 0.00 174.62 175.29 1wbn h LEU 222 N 4.78 0.08 -5.99 4.42 5.85 -1.92 -3.40 115.31 119.13 1wbn h LEU 222 Ca -0.47 -0.69 -0.58 0.00 0.84 0.00 0.00 57.88 56.99 1wbn h LEU 222 Cb 1.22 -0.02 -0.41 0.00 0.37 0.00 0.00 40.66 41.82 1wbn h LEU 222 CO 0.79 0.75 -0.78 0.49 -0.34 0.00 0.00 178.44 179.35 1wbn n PHE 223 N -4.69 2.39 -1.61 1.25 3.72 -1.26 -5.01 117.46 112.25 1wbn n PHE 223 Ca -0.09 -3.95 -0.42 0.00 -0.05 0.00 0.00 57.45 52.94 1wbn n PHE 223 Cb 0.38 -0.48 -0.01 0.00 -0.94 0.00 0.00 39.48 38.42 1wbn n PHE 223 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1wbn n PRO 224 N 0.78 2.58 -2.08 -1.08 -0.04 -1.26 -4.62 135.00 129.27 1wbn n PRO 224 Ca 0.27 -2.45 -0.39 0.00 -0.04 0.00 0.00 63.50 60.90 1wbn n PRO 224 Cb 0.46 -3.21 0.00 0.00 -0.04 0.00 0.00 33.50 30.70 1wbn n PRO 224 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1wbn s GLY 225 N 3.57 2.88 0.00 0.55 0.00 -1.26 -4.91 107.32 108.14 1wbn s GLY 225 Ca 0.49 1.15 0.30 0.00 0.00 0.00 0.00 44.72 46.66 1wbn s GLY 225 CO -0.05 1.69 1.97 -1.30 0.00 0.00 0.00 173.10 175.42 1wbn n THR 226 N -0.22 0.00 -3.88 0.90 -2.24 -1.26 -4.34 114.28 103.25 1wbn n THR 226 Ca 0.06 -0.01 0.02 0.00 -2.27 0.00 0.00 64.05 61.85 1wbn n THR 226 Cb 0.45 -0.40 0.01 0.00 -2.10 0.00 0.00 70.33 68.29 1wbn n THR 226 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1wbn s ASP 227 N -2.65 -0.01 0.24 3.42 1.47 -1.23 -3.15 116.67 114.75 1wbn s ASP 227 Ca 0.25 -0.18 -0.05 0.00 1.18 0.00 0.00 52.55 53.75 1wbn s ASP 227 Cb 0.20 0.14 0.41 0.00 -0.34 0.00 0.00 42.92 43.34 1wbn s ASP 227 CO 0.49 -0.28 1.76 0.45 0.68 0.00 0.00 175.17 178.27 1wbn h HIS 228 N 2.00 0.63 0.14 2.11 3.86 -1.87 -0.41 115.15 121.61 1wbn h HIS 228 Ca -0.25 0.03 -0.19 0.00 -1.16 0.00 0.00 60.37 58.80 1wbn h HIS 228 Cb 1.19 -0.17 0.02 0.00 1.06 0.00 0.00 27.41 29.51 1wbn h HIS 228 CO 1.11 0.17 -0.86 0.82 0.86 0.00 0.00 177.93 180.03 1wbn h ILE 229 N 0.56 1.48 -0.71 2.45 1.08 -1.99 -1.96 117.51 118.43 1wbn h ILE 229 Ca 0.39 -2.53 0.14 0.00 -0.39 0.00 0.00 64.86 62.47 1wbn h ILE 229 Cb 0.50 3.17 -0.10 0.00 -3.07 0.00 0.00 36.82 37.33 1wbn h ILE 229 CO -0.33 0.72 0.22 -0.78 -0.69 0.00 0.00 178.15 177.29 1wbn h ASP 230 N -0.36 0.13 -0.57 1.72 3.58 -1.93 -0.90 116.42 118.10 1wbn h ASP 230 Ca -0.15 0.12 -0.09 0.00 0.42 0.00 0.00 57.03 57.32 1wbn h ASP 230 Cb 1.66 0.14 -0.02 0.00 1.72 0.00 0.00 39.33 42.82 1wbn h ASP 230 CO 0.15 0.04 -0.01 -0.61 -2.88 0.00 0.00 179.24 175.92 1wbn h GLN 231 N 0.34 1.01 -0.67 0.28 4.15 -1.05 -1.36 115.11 117.82 1wbn h GLN 231 Ca 0.39 -0.33 0.05 0.00 0.77 0.00 0.00 58.65 59.54 1wbn h GLN 231 Cb 0.61 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 28.18 1wbn h GLN 231 CO -0.44 1.01 0.44 1.25 -1.93 0.00 0.00 178.83 179.17 1wbn h LEU 232 N 0.90 0.62 -0.23 -2.39 5.85 -0.83 -0.81 115.31 118.41 1wbn h LEU 232 Ca 0.16 -0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.80 1wbn h LEU 232 Cb 0.56 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 1wbn h LEU 232 CO 0.03 0.41 -0.18 0.11 -0.34 0.00 0.00 178.44 178.47 1wbn h LYS 233 N 0.71 0.53 -0.91 1.25 1.57 -0.55 -0.10 116.57 119.06 1wbn h LYS 233 Ca 0.28 -0.26 0.07 0.00 -1.87 0.00 0.00 60.65 58.87 1wbn h LYS 233 Cb 0.21 -0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.46 1wbn h LYS 233 CO -0.09 0.83 0.57 -0.07 -0.57 0.00 0.00 179.45 180.13 1wbn h LEU 234 N 0.23 0.90 -0.06 2.94 3.38 -0.93 0.46 115.31 122.23 1wbn h LEU 234 Ca 0.04 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1wbn h LEU 234 Cb 0.71 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 1wbn h LEU 234 CO 0.05 0.57 -0.02 0.40 0.09 0.00 0.00 178.44 179.53 1wbn h ILE 235 N 1.03 1.30 0.00 1.22 2.04 -1.07 -2.93 117.51 119.11 1wbn h ILE 235 Ca 0.40 -0.94 -0.03 0.00 1.00 0.00 0.00 64.86 65.28 1wbn h ILE 235 Cb 0.18 1.81 -0.00 0.00 -0.74 0.00 0.00 36.82 38.06 1wbn h ILE 235 CO -0.18 0.26 -0.16 -0.07 0.00 0.00 0.00 178.15 178.00 1wbn h LEU 236 N -0.23 0.00 -0.71 1.44 3.38 -0.73 -1.36 115.31 117.11 1wbn h LEU 236 Ca 0.02 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 1wbn h LEU 236 Cb 0.42 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1wbn h LEU 236 CO 0.01 0.16 -0.05 -0.09 0.09 0.00 0.00 178.44 178.56 1wbn h ARG 237 N 0.00 0.94 0.04 1.13 2.43 -0.84 0.83 114.38 118.91 1wbn h ARG 237 Ca -0.00 -0.31 -0.00 0.00 -0.81 0.00 0.00 59.98 58.86 1wbn h ARG 237 Cb 0.58 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1wbn h ARG 237 CO 0.02 0.96 -0.02 1.25 -1.51 0.00 0.00 179.97 180.68 1wbn h LEU 238 N 0.85 -0.04 0.00 3.80 5.85 -1.22 -3.39 115.31 121.17 1wbn h LEU 238 Ca 0.15 -0.52 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1wbn h LEU 238 Cb 0.58 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.62 1wbn h LEU 238 CO 0.04 0.69 -0.85 1.33 -0.34 0.00 0.00 178.44 179.30 1wbn n VAL 239 N -4.74 0.05 0.00 1.05 0.24 -0.57 0.09 118.33 114.45 1wbn n VAL 239 Ca -0.06 -0.08 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 1wbn n VAL 239 Cb 0.27 0.49 0.00 0.00 -1.47 0.00 0.00 33.84 33.13 1wbn n VAL 239 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wbn n GLY 240 N 1.46 1.51 3.75 7.63 0.00 0.29 -3.97 105.19 115.85 1wbn n GLY 240 Ca 0.04 -1.69 -0.37 0.00 0.00 0.00 0.00 46.02 44.01 1wbn n GLY 240 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wbn s THR 241 N -2.30 2.43 0.54 2.61 -4.23 -0.66 -4.72 115.64 109.31 1wbn s THR 241 Ca 0.00 0.28 -0.20 0.00 -1.18 0.00 0.00 61.69 60.59 1wbn s THR 241 Cb 0.00 -3.12 -0.05 0.00 1.34 0.00 0.00 72.50 70.67 1wbn s THR 241 CO 0.00 -0.05 1.19 -2.16 -0.54 0.00 0.00 174.62 173.06 1wbn s PRO 242 N -3.27 3.31 0.87 3.99 0.04 -1.26 -4.81 135.00 133.88 1wbn s PRO 242 Ca 0.78 1.78 -0.12 0.00 0.04 0.00 0.00 61.00 63.48 1wbn s PRO 242 Cb -0.33 -2.11 0.16 0.00 0.04 0.00 0.00 34.50 32.26 1wbn s PRO 242 CO 0.36 -0.92 1.21 0.20 0.04 0.00 0.00 177.00 177.89 1wbn s GLY 243 N -1.53 1.75 0.45 0.56 0.00 -1.26 -4.91 107.32 102.37 1wbn s GLY 243 Ca 0.72 -1.22 0.15 0.00 0.00 0.00 0.00 44.72 44.37 1wbn s GLY 243 CO 0.33 -0.55 1.99 0.00 0.00 0.00 0.00 173.10 174.86 1wbn h ALA 244 N -1.26 1.66 -0.34 3.20 0.00 -1.99 -2.02 119.26 118.50 1wbn h ALA 244 Ca -0.43 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.30 1wbn h ALA 244 Cb 1.26 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1wbn h ALA 244 CO 0.44 0.24 0.20 1.49 0.00 0.00 0.00 179.25 181.61 1wbn h GLU 245 N 0.00 0.46 -0.08 0.00 4.81 -2.02 -2.74 114.58 115.02 1wbn h GLU 245 Ca -0.00 -0.05 -0.17 0.00 -0.13 0.00 0.00 59.36 59.01 1wbn h GLU 245 Cb 0.34 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 1wbn h GLU 245 CO 0.02 0.36 -0.67 1.25 -0.73 0.00 0.00 179.01 179.24 1wbn h LEU 246 N 0.43 0.42 -1.17 1.64 7.12 -1.83 -3.20 115.31 118.71 1wbn h LEU 246 Ca 0.12 -0.26 0.03 0.00 0.13 0.00 0.00 57.88 57.90 1wbn h LEU 246 Cb 0.02 -0.12 -0.05 0.00 -0.53 0.00 0.00 40.66 39.98 1wbn h LEU 246 CO -0.02 0.97 0.57 -0.07 -0.13 0.00 0.00 178.44 179.75 1wbn h LEU 247 N 0.25 0.94 -1.44 2.25 3.38 -1.16 -2.31 115.31 117.23 1wbn h LEU 247 Ca -0.02 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1wbn h LEU 247 Cb 1.22 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 1wbn h LEU 247 CO 0.11 0.66 0.01 0.11 0.09 0.00 0.00 178.44 179.42 1wbn h LYS 248 N 1.10 0.38 0.00 1.13 1.57 -1.49 -2.58 116.57 116.67 1wbn h LYS 248 Ca 0.33 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1wbn h LYS 248 Cb -0.02 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.22 1wbn h LYS 248 CO -0.09 0.40 0.00 1.63 -0.57 0.00 0.00 179.45 180.81 1wbn n LYS 249 N -4.34 0.16 -2.80 3.15 5.02 -0.87 -4.67 118.16 113.81 1wbn n LYS 249 Ca 0.01 0.02 -0.43 0.00 -2.02 0.00 0.00 58.31 55.88 1wbn n LYS 249 Cb 0.20 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.67 1wbn n LYS 249 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1wbn s ILE 250 N -2.83 4.35 0.16 -0.18 1.01 -0.98 -4.82 121.20 117.91 1wbn s ILE 250 Ca 0.19 0.47 -0.11 0.00 0.00 0.00 0.00 60.65 61.20 1wbn s ILE 250 Cb 0.19 -4.54 0.02 0.00 0.01 0.00 0.00 42.46 38.13 1wbn s ILE 250 CO 0.48 -1.09 1.58 0.28 0.00 0.00 0.00 174.94 176.20 1wbn h SER 251 N 9.29 0.97 -2.33 3.58 0.02 -1.20 -3.41 113.55 120.46 1wbn h SER 251 Ca -0.25 -0.35 -0.57 0.00 -0.84 0.00 0.00 61.79 59.77 1wbn h SER 251 Cb 1.07 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.33 1wbn h SER 251 CO 1.09 1.09 1.38 -0.55 -1.14 0.00 0.00 176.83 178.70 1wbn s SER 252 N -6.57 5.64 0.46 3.07 0.15 -1.12 -4.82 113.70 110.51 1wbn s SER 252 Ca -0.12 1.49 0.18 0.00 0.70 0.00 0.00 55.95 58.21 1wbn s SER 252 Cb 0.12 -2.52 1.11 0.00 -1.71 0.00 0.00 66.02 63.02 1wbn s SER 252 CO 0.85 -1.88 2.00 -0.08 1.20 0.00 0.00 173.24 175.33 1wbn h GLU 253 N 14.09 0.00 -0.03 5.44 4.81 -1.94 -0.70 114.58 136.25 1wbn h GLU 253 Ca -0.36 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 58.64 1wbn h GLU 253 Cb 1.20 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.60 1wbn h GLU 253 CO 1.01 0.19 -0.90 1.03 -0.73 0.00 0.00 179.01 179.61 1wbn h SER 254 N 0.00 0.84 0.02 1.04 0.87 -1.95 -1.95 113.55 112.41 1wbn h SER 254 Ca -0.00 -0.72 -0.00 0.00 -1.23 0.00 0.00 61.79 59.84 1wbn h SER 254 Cb 0.36 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 1wbn h SER 254 CO 0.02 1.45 -0.01 0.00 -0.53 0.00 0.00 176.83 177.76 1wbn h ALA 255 N 0.41 -0.02 -0.83 6.23 0.00 -1.88 -2.31 119.26 120.86 1wbn h ALA 255 Ca -0.10 -0.15 0.20 0.00 0.00 0.00 0.00 54.91 54.86 1wbn h ALA 255 Cb 1.56 0.01 -0.15 0.00 0.00 0.00 0.00 17.79 19.21 1wbn h ALA 255 CO 0.18 -0.37 0.02 0.00 0.00 0.00 0.00 179.25 179.08 1wbn h ARG 256 N -0.31 0.09 -0.52 0.00 3.08 -1.17 -1.01 114.38 114.53 1wbn h ARG 256 Ca -0.00 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 1wbn h ARG 256 Cb 0.30 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 1wbn h ARG 256 CO 0.00 0.06 -0.04 -0.97 -1.07 0.00 0.00 179.97 177.95 1wbn h ASN 257 N 0.09 0.89 -0.43 7.04 -0.00 -1.14 -2.36 115.58 119.67 1wbn h ASN 257 Ca 0.47 -0.25 -0.06 0.00 -0.00 0.00 0.00 56.30 56.46 1wbn h ASN 257 Cb 0.86 -0.24 -0.02 0.00 -0.00 0.00 0.00 38.32 38.93 1wbn h ASN 257 CO -0.73 0.97 0.02 0.22 -0.00 0.00 0.00 177.43 177.90 1wbn h TYR 258 N 0.83 0.80 -0.80 0.67 3.20 -0.65 -3.09 116.97 117.92 1wbn h TYR 258 Ca 0.15 -0.13 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 1wbn h TYR 258 Cb 0.55 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.57 1wbn h TYR 258 CO 0.03 0.79 0.45 0.82 -1.64 0.00 0.00 178.16 178.61 1wbn h ILE 259 N 0.58 1.23 0.00 1.81 2.04 -1.02 -1.84 117.51 120.31 1wbn h ILE 259 Ca 0.12 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.42 1wbn h ILE 259 Cb 0.46 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1wbn h ILE 259 CO 0.02 0.26 0.00 0.00 0.00 0.00 0.00 178.15 178.43 1wbn n GLN 260 N -4.35 0.06 0.03 2.37 6.02 -0.92 -1.79 117.38 118.80 1wbn n GLN 260 Ca 0.08 0.30 0.13 0.00 -0.01 0.00 0.00 57.00 57.51 1wbn n GLN 260 Cb 0.09 -1.62 0.36 0.00 1.02 0.00 0.00 30.24 30.09 1wbn n GLN 260 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1wbn n SER 261 N -1.74 0.43 -4.78 1.08 3.41 -0.69 -4.87 113.62 106.46 1wbn n SER 261 Ca 0.03 0.15 -0.37 0.00 -0.26 0.00 0.00 58.87 58.42 1wbn n SER 261 Cb 0.19 -0.12 -0.05 0.00 -0.26 0.00 0.00 64.21 63.97 1wbn n SER 261 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1wbn s LEU 262 N -3.45 4.32 0.19 1.04 1.02 -0.74 -5.00 118.68 116.06 1wbn s LEU 262 Ca 0.11 1.99 -0.32 0.00 0.02 0.00 0.00 54.13 55.93 1wbn s LEU 262 Cb 0.16 -3.99 -0.11 0.00 0.02 0.00 0.00 46.19 42.27 1wbn s LEU 262 CO 0.64 -0.23 1.63 -0.89 0.02 0.00 0.00 176.35 177.53 1wbn s THR 263 N -1.53 2.35 0.21 5.49 2.01 -1.26 -4.94 115.64 117.96 1wbn s THR 263 Ca 0.52 0.25 -0.30 0.00 0.31 0.00 0.00 61.69 62.47 1wbn s THR 263 Cb -0.22 -3.16 -0.09 0.00 0.01 0.00 0.00 72.50 69.04 1wbn s THR 263 CO 0.28 0.02 1.30 -1.10 -0.69 0.00 0.00 174.62 174.43 1wbn s GLN 264 N 1.07 4.40 0.04 4.92 -0.21 -1.26 -4.91 119.66 123.70 1wbn s GLN 264 Ca 0.72 2.05 0.04 0.00 0.02 0.00 0.00 55.36 58.19 1wbn s GLN 264 Cb -0.46 -3.19 -0.02 0.00 1.00 0.00 0.00 33.01 30.34 1wbn s GLN 264 CO 0.32 -0.23 -0.12 -1.64 -2.12 0.00 0.00 175.29 171.51 1wbn s MET 265 N -0.27 0.80 0.52 2.91 -1.94 -1.26 -4.98 119.30 115.08 1wbn s MET 265 Ca 0.56 -0.70 -0.12 0.00 -1.71 0.00 0.00 55.69 53.71 1wbn s MET 265 Cb -0.36 -0.77 -0.06 0.00 2.01 0.00 0.00 34.83 35.65 1wbn s MET 265 CO 0.39 0.19 0.93 -1.25 -0.01 0.00 0.00 175.02 175.27 1wbn s PRO 266 N -1.12 3.76 0.27 2.03 0.04 -1.26 -1.65 135.00 137.08 1wbn s PRO 266 Ca -0.01 0.71 -0.31 0.00 0.04 0.00 0.00 61.00 61.44 1wbn s PRO 266 Cb -0.08 -2.20 -0.12 0.00 0.04 0.00 0.00 34.50 32.15 1wbn s PRO 266 CO 0.01 -0.31 1.63 1.17 0.04 0.00 0.00 177.00 179.54 1wbn n LYS 267 N -1.95 2.72 -1.54 4.56 4.81 -1.25 -4.01 118.16 121.49 1wbn n LYS 267 Ca 0.05 0.97 -0.30 0.00 -0.87 0.00 0.00 58.31 58.15 1wbn n LYS 267 Cb 0.54 -2.77 0.07 0.00 0.02 0.00 0.00 35.03 32.89 1wbn n LYS 267 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 1wbn s MET 268 N -0.07 2.48 -0.30 1.64 -1.94 0.11 -4.93 119.30 116.30 1wbn s MET 268 Ca 0.67 0.82 -0.29 0.00 -1.71 0.00 0.00 55.69 55.18 1wbn s MET 268 Cb -0.50 -1.95 0.01 0.00 2.01 0.00 0.00 34.83 34.40 1wbn s MET 268 CO 0.44 -1.39 1.21 1.21 -0.01 0.00 0.00 175.02 176.49 1wbn s ASN 269 N -3.81 6.78 0.41 3.03 3.84 -1.26 -4.92 114.94 119.01 1wbn s ASN 269 Ca 0.60 1.16 0.20 0.00 0.21 0.00 0.00 52.86 55.03 1wbn s ASN 269 Cb -0.14 -2.54 0.87 0.00 -0.55 0.00 0.00 41.25 38.88 1wbn s ASN 269 CO 0.55 -0.99 1.82 -0.26 -2.79 0.00 0.00 177.10 175.43 1wbn h PHE 270 N 8.78 0.00 0.00 0.43 -1.00 -1.95 -2.39 116.94 120.81 1wbn h PHE 270 Ca -0.24 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.50 1wbn h PHE 270 Cb 1.08 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.64 1wbn h PHE 270 CO 0.86 0.31 -0.21 0.00 -1.61 0.00 0.00 178.31 177.66 1wbn h ALA 271 N 1.69 1.10 -0.00 2.45 0.00 -1.91 0.61 119.26 123.20 1wbn h ALA 271 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1wbn h ALA 271 Cb 0.74 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1wbn h ALA 271 CO 0.04 0.26 -0.41 0.09 0.00 0.00 0.00 179.25 179.23 1wbn n ASN 272 N -3.49 0.84 -0.11 0.00 5.03 -0.92 -3.62 115.26 113.00 1wbn n ASN 272 Ca -0.01 -0.64 -0.20 0.00 0.87 0.00 0.00 54.58 54.60 1wbn n ASN 272 Cb 0.38 0.25 -0.09 0.00 -1.02 0.00 0.00 39.78 39.29 1wbn n ASN 272 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 1wbn n VAL 273 N -1.04 1.51 -2.37 2.41 0.31 -0.89 -4.60 118.33 113.66 1wbn n VAL 273 Ca 0.09 -0.06 -0.41 0.00 -0.01 0.00 0.00 64.34 63.95 1wbn n VAL 273 Cb 0.35 -2.07 0.01 0.00 -0.91 0.00 0.00 33.84 31.21 1wbn n VAL 273 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1wbn n PHE 274 N -4.42 2.69 -1.68 3.52 3.72 0.16 -5.00 117.46 116.45 1wbn n PHE 274 Ca -0.33 -2.67 -0.48 0.00 -0.05 0.00 0.00 57.45 53.92 1wbn n PHE 274 Cb 0.66 -1.48 -0.05 0.00 -0.94 0.00 0.00 39.48 37.67 1wbn n PHE 274 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 1wbn n ILE 275 N 0.77 0.36 0.00 4.37 2.08 -1.24 -1.67 119.36 124.02 1wbn n ILE 275 Ca 0.53 -0.06 0.00 0.00 0.56 0.00 0.00 62.75 63.78 1wbn n ILE 275 Cb 0.26 -1.69 0.00 0.00 -0.75 0.00 0.00 39.64 37.45 1wbn n ILE 275 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1wbn n GLY 276 N 4.00 2.13 3.74 7.39 0.00 -1.26 -5.04 105.19 116.16 1wbn n GLY 276 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 1wbn n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wbn n ALA 277 N -1.51 1.48 -1.66 4.61 0.00 -0.67 -4.91 120.51 117.84 1wbn n ALA 277 Ca 0.00 0.10 -0.56 0.00 0.00 0.00 0.00 53.44 52.98 1wbn n ALA 277 Cb 0.00 -2.35 -0.07 0.00 0.00 0.00 0.00 19.45 17.03 1wbn n ALA 277 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1wbn n ASN 278 N -1.18 1.94 -0.04 0.00 2.85 -1.26 -4.84 115.26 112.73 1wbn n ASN 278 Ca 0.12 1.10 0.24 0.00 -0.11 0.00 0.00 54.58 55.93 1wbn n ASN 278 Cb 0.45 -1.14 0.72 0.00 1.24 0.00 0.00 39.78 41.05 1wbn n ASN 278 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1wbn h PRO 279 N 5.90 0.00 0.03 1.20 0.11 -1.98 0.46 132.00 137.72 1wbn h PRO 279 Ca -0.47 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.38 1wbn h PRO 279 Cb 1.33 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.46 1wbn h PRO 279 CO 0.88 0.00 -1.06 -0.07 -0.21 0.00 0.00 178.00 177.54 1wbn h LEU 280 N 0.00 0.74 -0.33 2.35 4.07 -1.99 -1.48 115.31 118.68 1wbn h LEU 280 Ca 0.31 -0.62 0.00 0.00 0.08 0.00 0.00 57.88 57.65 1wbn h LEU 280 Cb 1.42 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 42.92 1wbn h LEU 280 CO -0.00 1.43 0.21 0.00 -1.08 0.00 0.00 178.44 178.99 1wbn h ALA 281 N 0.51 0.42 -0.53 1.53 0.00 -1.32 -1.72 119.26 118.16 1wbn h ALA 281 Ca -0.12 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 54.82 1wbn h ALA 281 Cb 1.71 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 19.31 1wbn h ALA 281 CO 0.20 -0.10 0.19 0.28 0.00 0.00 0.00 179.25 179.82 1wbn h VAL 282 N 0.43 0.81 -0.37 0.00 2.07 -1.21 -1.05 116.25 116.92 1wbn h VAL 282 Ca 0.12 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 1wbn h VAL 282 Cb -0.02 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 1wbn h VAL 282 CO -0.02 0.07 0.19 -0.78 0.02 0.00 0.00 177.57 177.05 1wbn h ASP 283 N 0.37 0.47 -0.64 0.57 3.58 -1.10 -1.95 116.42 117.71 1wbn h ASP 283 Ca 0.26 -0.11 0.01 0.00 0.42 0.00 0.00 57.03 57.62 1wbn h ASP 283 Cb 0.29 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.19 1wbn h ASP 283 CO -0.26 0.44 0.42 0.25 -2.88 0.00 0.00 179.24 177.20 1wbn h LEU 284 N 0.47 0.71 -0.94 2.28 5.85 -0.89 -2.15 115.31 120.63 1wbn h LEU 284 Ca 0.13 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.87 1wbn h LEU 284 Cb 0.09 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 1wbn h LEU 284 CO -0.02 0.51 0.61 -0.07 -0.34 0.00 0.00 178.44 179.13 1wbn h LEU 285 N 0.84 1.03 -1.99 2.25 3.38 -1.00 -0.90 115.31 118.92 1wbn h LEU 285 Ca 0.24 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 1wbn h LEU 285 Cb -0.06 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.45 1wbn h LEU 285 CO -0.07 0.71 -0.05 -0.33 0.09 0.00 0.00 178.44 178.80 1wbn h GLU 286 N 1.20 0.00 0.00 1.13 5.08 -0.71 0.14 114.58 121.42 1wbn h GLU 286 Ca 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 1wbn h GLU 286 Cb -0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1wbn h GLU 286 CO -0.11 0.05 -1.00 1.63 -1.00 0.00 0.00 179.01 178.58 1wbn n LYS 287 N -4.31 0.49 -0.07 2.33 5.02 -0.74 -4.18 118.16 116.70 1wbn n LYS 287 Ca -0.03 0.07 -0.13 0.00 -2.02 0.00 0.00 58.31 56.20 1wbn n LYS 287 Cb 0.13 -1.73 -0.10 0.00 -0.02 0.00 0.00 35.03 33.31 1wbn n LYS 287 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 1wbn h MET 288 N 0.00 0.00 -2.77 1.97 2.86 -0.64 -2.42 114.93 113.94 1wbn h MET 288 Ca 0.00 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 57.10 1wbn h MET 288 Cb 0.90 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.56 1wbn h MET 288 CO 0.00 0.77 2.76 1.28 1.06 0.00 0.00 176.91 182.79 1wbn n LEU 289 N -4.60 7.75 -4.55 1.22 7.99 0.43 -4.54 117.00 120.70 1wbn n LEU 289 Ca -0.13 -4.01 -0.35 0.00 -0.01 0.00 0.00 56.01 51.51 1wbn n LEU 289 Cb 0.43 -1.50 -0.11 0.00 -0.11 0.00 0.00 43.42 42.13 1wbn n LEU 289 CO 0.24 1.93 -0.28 -0.69 -1.51 0.00 0.00 177.39 177.07 1wbn s VAL 290 N 1.93 4.43 0.13 4.08 1.01 -1.26 -4.90 120.40 125.82 1wbn s VAL 290 Ca 0.68 -0.15 -0.19 0.00 0.00 0.00 0.00 61.98 62.32 1wbn s VAL 290 Cb 0.21 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 1wbn s VAL 290 CO -0.04 0.44 1.76 0.25 0.00 0.00 0.00 175.10 177.51 1wbn h LEU 291 N 7.08 0.17 -9.03 3.92 5.85 -1.92 -3.39 115.31 117.99 1wbn h LEU 291 Ca -0.36 0.01 -0.57 0.00 0.84 0.00 0.00 57.88 57.81 1wbn h LEU 291 Cb 1.18 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.15 1wbn h LEU 291 CO 0.65 0.13 1.05 -0.62 -0.34 0.00 0.00 178.44 179.31 1wbn s ASP 292 N -5.35 6.56 0.47 1.25 -1.08 -1.26 -4.90 116.67 112.36 1wbn s ASP 292 Ca -0.13 1.50 0.26 0.00 -0.52 0.00 0.00 52.55 53.66 1wbn s ASP 292 Cb 0.09 -2.54 1.14 0.00 -1.46 0.00 0.00 42.92 40.15 1wbn s ASP 292 CO 0.70 -1.13 1.92 0.77 0.52 0.00 0.00 175.17 177.95 1wbn h SER 293 N 9.89 0.00 -0.11 -0.34 4.64 -1.98 -1.15 113.55 124.51 1wbn h SER 293 Ca -0.30 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.05 1wbn h SER 293 Cb 1.13 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1wbn h SER 293 CO 1.01 0.18 0.10 0.44 -0.87 0.00 0.00 176.83 177.69 1wbn h ASP 294 N 0.00 0.00 -0.02 4.97 3.32 -1.94 -3.19 116.42 119.56 1wbn h ASP 294 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1wbn h ASP 294 Cb 0.59 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.14 1wbn h ASP 294 CO 0.02 0.00 -0.02 0.29 -1.72 0.00 0.00 179.24 177.81 1wbn n LYS 295 N -4.11 0.85 -2.19 3.56 5.02 -0.44 -4.97 118.16 115.88 1wbn n LYS 295 Ca -0.00 -1.21 -0.40 0.00 -2.02 0.00 0.00 58.31 54.68 1wbn n LYS 295 Cb 0.21 -1.23 -0.02 0.00 -0.02 0.00 0.00 35.03 33.96 1wbn n LYS 295 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1wbn s ARG 296 N -1.09 4.31 0.47 1.97 0.52 -1.16 -5.00 118.95 118.97 1wbn s ARG 296 Ca 0.14 2.08 -0.24 0.00 -0.52 0.00 0.00 55.73 57.20 1wbn s ARG 296 Cb 0.10 -2.99 -0.08 0.00 0.52 0.00 0.00 34.95 32.50 1wbn s ARG 296 CO 0.17 -0.18 1.25 1.51 0.02 0.00 0.00 175.30 178.07 1wbn n ILE 297 N 0.67 2.99 -2.63 1.52 3.06 -0.91 -5.01 119.36 119.04 1wbn n ILE 297 Ca 0.01 -0.50 -0.25 0.00 -2.50 0.00 0.00 62.75 59.51 1wbn n ILE 297 Cb 0.43 -1.53 0.02 0.00 0.54 0.00 0.00 39.64 39.10 1wbn n ILE 297 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 1wbn s THR 298 N -1.26 3.84 0.16 9.51 -4.23 -1.26 -4.92 115.64 117.48 1wbn s THR 298 Ca 0.65 -0.18 -0.19 0.00 -1.18 0.00 0.00 61.69 60.79 1wbn s THR 298 Cb -0.48 -3.48 0.07 0.00 1.34 0.00 0.00 72.50 69.95 1wbn s THR 298 CO 0.55 -0.43 1.65 0.00 -0.54 0.00 0.00 174.62 175.84 1wbn h ALA 299 N 0.06 0.08 -0.53 3.99 0.00 -1.94 0.10 119.26 121.03 1wbn h ALA 299 Ca -0.46 0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.60 1wbn h ALA 299 Cb 1.25 0.41 -0.04 0.00 0.00 0.00 0.00 17.79 19.41 1wbn h ALA 299 CO 0.59 -0.56 0.30 0.00 0.00 0.00 0.00 179.25 179.59 1wbn h ALA 300 N 1.11 0.68 -0.82 0.00 0.00 -1.94 -1.73 119.26 116.55 1wbn h ALA 300 Ca 0.17 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1wbn h ALA 300 Cb 0.38 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1wbn h ALA 300 CO -0.41 -0.00 0.38 1.96 0.00 0.00 0.00 179.25 181.18 1wbn h GLN 301 N 0.60 1.20 -0.15 0.00 4.20 -1.87 -3.02 115.11 116.07 1wbn h GLN 301 Ca 0.22 -0.19 -0.09 0.00 0.06 0.00 0.00 58.65 58.65 1wbn h GLN 301 Cb 0.05 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.61 1wbn h GLN 301 CO -0.11 0.93 -0.32 0.00 -0.67 0.00 0.00 178.83 178.66 1wbn h ALA 302 N 1.23 1.17 -0.04 3.87 0.00 -0.04 -2.69 119.26 122.76 1wbn h ALA 302 Ca 0.28 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1wbn h ALA 302 Cb 0.15 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1wbn h ALA 302 CO -0.03 0.54 0.06 -0.07 0.00 0.00 0.00 179.25 179.75 1wbn h LEU 303 N 0.26 0.00 -1.66 0.00 3.38 -1.20 -2.17 115.31 113.91 1wbn h LEU 303 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1wbn h LEU 303 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1wbn h LEU 303 CO 0.05 0.00 -0.02 0.00 0.09 0.00 0.00 178.44 178.56 1wbn n ALA 304 N -2.27 2.53 -1.77 1.53 0.00 -1.01 -4.76 120.51 114.76 1wbn n ALA 304 Ca -0.02 -0.63 -0.38 0.00 0.00 0.00 0.00 53.44 52.41 1wbn n ALA 304 Cb 0.15 -0.89 -0.02 0.00 0.00 0.00 0.00 19.45 18.69 1wbn n ALA 304 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1wbn s HIS 305 N -2.02 3.04 -0.30 0.00 5.04 -0.82 -4.90 115.29 115.34 1wbn s HIS 305 Ca 0.30 1.56 0.22 0.00 -1.54 0.00 0.00 55.06 55.60 1wbn s HIS 305 Cb 0.20 -3.37 1.10 0.00 0.04 0.00 0.00 32.58 30.55 1wbn s HIS 305 CO 0.32 -1.31 1.67 0.00 -2.34 0.00 0.00 174.74 173.09 1wbn n ALA 306 N -0.05 1.25 0.26 1.58 0.00 -1.26 -1.38 120.51 120.90 1wbn n ALA 306 Ca 0.05 0.16 0.12 0.00 0.00 0.00 0.00 53.44 53.77 1wbn n ALA 306 Cb 0.47 -1.34 0.69 0.00 0.00 0.00 0.00 19.45 19.27 1wbn n ALA 306 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1wbn h TYR 307 N 0.00 0.00 -0.50 0.00 3.20 -1.90 -2.87 116.97 114.90 1wbn h TYR 307 Ca 0.00 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.81 1wbn h TYR 307 Cb 0.12 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.36 1wbn h TYR 307 CO 0.00 0.13 0.06 1.19 -1.64 0.00 0.00 178.16 177.90 1wbn n PHE 308 N -3.71 1.76 -0.17 -3.82 3.72 -0.48 -4.71 117.46 110.06 1wbn n PHE 308 Ca -0.02 -0.92 0.10 0.00 -0.05 0.00 0.00 57.45 56.56 1wbn n PHE 308 Cb 0.24 -0.49 0.42 0.00 -0.94 0.00 0.00 39.48 38.71 1wbn n PHE 308 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1wbn h ALA 309 N 2.87 1.87 0.00 4.37 0.00 -1.66 0.15 119.26 126.85 1wbn h ALA 309 Ca 0.07 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1wbn h ALA 309 Cb 1.88 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 1wbn h ALA 309 CO 0.46 -0.02 -0.20 1.96 0.00 0.00 0.00 179.25 181.45 1wbn h GLN 310 N 0.60 0.00 0.00 0.00 1.08 -1.87 -3.34 115.11 111.58 1wbn h GLN 310 Ca 0.33 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.49 1wbn h GLN 310 Cb 0.50 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.92 1wbn h GLN 310 CO -0.12 0.20 -1.21 0.66 -0.95 0.00 0.00 178.83 177.41 1wbn n TYR 311 N -3.64 0.00 -1.69 2.96 4.01 -0.51 -5.03 117.16 113.27 1wbn n TYR 311 Ca -0.01 0.00 -0.45 0.00 -0.16 0.00 0.00 57.90 57.28 1wbn n TYR 311 Cb 0.33 -0.14 -0.04 0.00 -0.31 0.00 0.00 39.34 39.18 1wbn n TYR 311 CO 0.00 0.00 0.00 1.58 -0.46 0.00 0.00 176.86 177.98 1wbn n HIS 312 N -1.99 2.42 -3.40 -0.72 -0.00 0.40 -4.98 115.22 106.94 1wbn n HIS 312 Ca -0.04 0.22 -0.16 0.00 0.46 0.00 0.00 57.72 58.19 1wbn n HIS 312 Cb 0.48 -2.57 -0.10 0.00 -0.12 0.00 0.00 29.99 27.67 1wbn n HIS 312 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 1wbn s ASP 313 N 0.91 1.49 0.00 0.26 2.15 -1.26 -5.01 116.67 115.21 1wbn s ASP 313 Ca 0.76 -0.61 0.09 0.00 0.43 0.00 0.00 52.55 53.22 1wbn s ASP 313 Cb -0.62 0.56 0.45 0.00 -0.30 0.00 0.00 42.92 43.01 1wbn s ASP 313 CO 0.38 -0.37 1.19 -0.81 -0.17 0.00 0.00 175.17 175.38 1wbn n PRO 314 N 5.32 0.11 -0.05 4.34 -0.04 -1.26 -0.86 135.00 142.55 1wbn n PRO 314 Ca -0.02 0.22 0.12 0.00 -0.04 0.00 0.00 63.50 63.77 1wbn n PRO 314 Cb 0.47 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.56 1wbn n PRO 314 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wbn n ASP 315 N -1.32 3.09 -2.73 3.54 8.00 -1.26 -4.42 116.55 121.45 1wbn n ASP 315 Ca 0.04 -1.98 -0.05 0.00 0.71 0.00 0.00 54.79 53.51 1wbn n ASP 315 Cb 0.08 -0.07 0.04 0.00 -0.02 0.00 0.00 41.12 41.15 1wbn n ASP 315 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1wbn n ASP 316 N 1.36 1.61 -3.17 -2.24 2.03 -0.04 -4.88 116.55 111.22 1wbn n ASP 316 Ca 0.15 -2.42 -0.21 0.00 0.52 0.00 0.00 54.79 52.83 1wbn n ASP 316 Cb 0.59 -0.50 -0.04 0.00 -0.72 0.00 0.00 41.12 40.44 1wbn n ASP 316 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1wbn n GLU 317 N -0.33 1.27 -1.80 -0.67 1.02 -1.21 -4.86 120.64 114.06 1wbn n GLU 317 Ca 0.09 -3.59 -0.33 0.00 -0.02 0.00 0.00 57.16 53.31 1wbn n GLU 317 Cb 0.81 -1.68 0.05 0.00 -0.02 0.00 0.00 31.44 30.60 1wbn n GLU 317 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1wbn s PRO 318 N -2.25 2.81 0.34 3.49 0.04 -1.26 -4.96 135.00 133.20 1wbn s PRO 318 Ca 0.40 1.47 0.07 0.00 0.04 0.00 0.00 61.00 62.98 1wbn s PRO 318 Cb 0.29 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.86 1wbn s PRO 318 CO -0.09 -1.26 0.37 0.14 0.04 0.00 0.00 177.00 176.20 1wbn s VAL 319 N -2.21 3.70 0.42 -0.36 -7.23 -1.26 -4.32 120.40 109.14 1wbn s VAL 319 Ca 0.69 -1.22 -0.22 0.00 -1.81 0.00 0.00 61.98 59.41 1wbn s VAL 319 Cb -0.22 -3.26 -0.10 0.00 0.56 0.00 0.00 36.38 33.36 1wbn s VAL 319 CO 0.40 -0.16 0.98 0.00 -0.31 0.00 0.00 175.10 176.01 1wbn s ALA 320 N -2.26 3.04 0.71 1.32 0.00 -1.26 -5.03 121.76 118.28 1wbn s ALA 320 Ca 0.43 0.51 -0.16 0.00 0.00 0.00 0.00 51.96 52.73 1wbn s ALA 320 Cb -0.07 -3.19 0.01 0.00 0.00 0.00 0.00 23.12 19.87 1wbn s ALA 320 CO 0.28 -0.00 1.10 -0.25 0.00 0.00 0.00 175.76 176.89 1wbn n ASP 321 N -0.42 1.03 -4.60 0.00 8.00 -1.26 -4.83 116.55 114.48 1wbn n ASP 321 Ca 0.06 0.70 -0.49 0.00 0.71 0.00 0.00 54.79 55.77 1wbn n ASP 321 Cb 0.52 -1.47 -0.05 0.00 -0.02 0.00 0.00 41.12 40.11 1wbn n ASP 321 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1wbn n PRO 322 N -2.10 1.32 -3.94 -0.24 -0.02 -1.26 -4.85 135.00 123.91 1wbn n PRO 322 Ca 0.14 0.47 -0.34 0.00 -2.02 0.00 0.00 63.50 61.75 1wbn n PRO 322 Cb 0.49 -2.06 -0.14 0.00 -0.02 0.00 0.00 33.50 31.77 1wbn n PRO 322 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1wbn s TYR 323 N 0.18 3.27 -0.30 6.00 5.04 -1.26 -5.07 117.35 125.21 1wbn s TYR 323 Ca 0.78 -1.97 -0.29 0.00 -2.44 0.00 0.00 57.07 53.14 1wbn s TYR 323 Cb -0.86 -2.09 -0.00 0.00 0.35 0.00 0.00 41.96 39.36 1wbn s TYR 323 CO 0.49 -0.82 1.32 0.34 -1.34 0.00 0.00 175.55 175.53 1wbn s ASP 324 N 1.23 6.66 -0.17 4.32 -1.08 -1.26 -4.87 116.67 121.49 1wbn s ASP 324 Ca -0.06 1.22 0.15 0.00 -0.52 0.00 0.00 52.55 53.35 1wbn s ASP 324 Cb -0.20 -2.54 0.36 0.00 -1.46 0.00 0.00 42.92 39.09 1wbn s ASP 324 CO -0.02 -1.09 1.20 1.67 0.52 0.00 0.00 175.17 177.45 1wbn n GLN 325 N 7.33 1.49 0.29 4.34 7.27 -1.26 -4.72 117.38 132.13 1wbn n GLN 325 Ca 0.15 -2.94 0.18 0.00 0.07 0.00 0.00 57.00 54.45 1wbn n GLN 325 Cb 0.47 -1.58 0.88 0.00 2.41 0.00 0.00 30.24 32.42 1wbn n GLN 325 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1wbn h SER 326 N 0.55 0.00 0.09 1.69 4.64 -2.04 -2.75 113.55 115.73 1wbn h SER 326 Ca 0.01 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.29 1wbn h SER 326 Cb 1.04 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.12 1wbn h SER 326 CO 0.02 0.04 -0.13 2.19 -0.87 0.00 0.00 176.83 178.08 1wbn h PHE 327 N 0.00 0.09 -0.21 4.77 -0.00 -1.96 -2.31 116.94 117.33 1wbn h PHE 327 Ca -0.00 -0.01 0.06 0.00 -0.00 0.00 0.00 57.97 58.02 1wbn h PHE 327 Cb 0.28 -0.03 -0.01 0.00 -0.00 0.00 0.00 35.95 36.20 1wbn h PHE 327 CO 0.00 0.23 0.38 0.93 -0.00 0.00 0.00 178.31 179.85 1wbn h GLU 328 N 0.09 0.00 0.00 6.09 4.39 -1.88 0.09 114.58 123.36 1wbn h GLU 328 Ca 0.02 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.64 1wbn h GLU 328 Cb 0.29 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 1wbn h GLU 328 CO 0.02 0.00 -1.45 0.43 -1.16 0.00 0.00 179.01 176.85 1wbn n SER 329 N -3.33 0.60 -4.76 1.42 7.64 -0.87 -4.94 113.62 109.38 1wbn n SER 329 Ca 0.03 0.25 -0.39 0.00 1.01 0.00 0.00 58.87 59.76 1wbn n SER 329 Cb 0.49 0.75 -0.06 0.00 -1.01 0.00 0.00 64.21 64.38 1wbn n SER 329 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1wbn s ARG 330 N -3.20 4.78 -0.37 1.43 0.52 0.02 -5.04 118.95 117.08 1wbn s ARG 330 Ca -0.04 1.47 -0.11 0.00 -0.52 0.00 0.00 55.73 56.54 1wbn s ARG 330 Cb 0.10 -3.16 0.03 0.00 0.52 0.00 0.00 34.95 32.43 1wbn s ARG 330 CO 0.83 0.44 0.21 -0.51 0.02 0.00 0.00 175.30 176.29 1wbn s ASP 331 N -1.26 5.74 0.37 0.23 -0.00 -1.26 -5.03 116.67 115.45 1wbn s ASP 331 Ca 0.43 -0.97 0.08 0.00 -0.00 0.00 0.00 52.55 52.09 1wbn s ASP 331 Cb -0.25 -2.03 -0.07 0.00 -0.00 0.00 0.00 42.92 40.58 1wbn s ASP 331 CO 0.31 -0.38 -0.04 -0.76 -0.00 0.00 0.00 175.17 174.30 1wbn s LEU 332 N 1.56 2.75 0.59 1.23 1.43 -1.26 -5.15 118.68 119.83 1wbn s LEU 332 Ca 0.02 -1.28 -0.05 0.00 -1.03 0.00 0.00 54.13 51.79 1wbn s LEU 332 Cb -0.19 -0.90 0.01 0.00 0.03 0.00 0.00 46.19 45.15 1wbn s LEU 332 CO 0.07 -0.34 0.89 -0.76 0.23 0.00 0.00 176.35 176.44 1wbn s LEU 333 N -3.63 3.22 0.16 1.79 1.43 -1.26 -4.88 118.68 115.50 1wbn s LEU 333 Ca 0.34 0.66 -0.18 0.00 -1.03 0.00 0.00 54.13 53.91 1wbn s LEU 333 Cb 0.06 -3.47 0.06 0.00 0.03 0.00 0.00 46.19 42.87 1wbn s LEU 333 CO 0.17 -1.09 1.68 0.40 0.23 0.00 0.00 176.35 177.74 1wbn h ILE 334 N -0.17 0.67 0.00 -0.59 2.04 -1.91 -1.00 117.51 116.55 1wbn h ILE 334 Ca -0.45 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 1wbn h ILE 334 Cb 1.26 0.65 -0.00 0.00 -0.74 0.00 0.00 36.82 37.99 1wbn h ILE 334 CO 0.60 0.00 -0.07 0.44 0.00 0.00 0.00 178.15 179.13 1wbn h ASP 335 N 0.02 0.00 0.12 1.72 5.19 -1.97 0.76 116.42 122.25 1wbn h ASP 335 Ca 0.17 0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 56.41 1wbn h ASP 335 Cb 0.25 0.00 0.02 0.00 0.18 0.00 0.00 39.33 39.78 1wbn h ASP 335 CO -0.34 0.07 -0.75 -0.33 -3.12 0.00 0.00 179.24 174.77 1wbn h GLU 336 N 0.00 0.25 -0.74 3.56 5.08 -1.60 -2.07 114.58 119.07 1wbn h GLU 336 Ca -0.00 -0.43 0.06 0.00 -1.00 0.00 0.00 59.36 57.99 1wbn h GLU 336 Cb 0.26 0.16 -0.06 0.00 0.50 0.00 0.00 28.75 29.61 1wbn h GLU 336 CO 0.01 1.21 0.43 -1.49 -1.00 0.00 0.00 179.01 178.16 1wbn h TRP 337 N -0.46 0.79 -0.06 4.33 -0.00 -1.06 -1.55 115.95 117.94 1wbn h TRP 337 Ca -0.14 0.03 0.02 0.00 -0.00 0.00 0.00 58.89 58.80 1wbn h TRP 337 Cb 1.56 -0.25 -0.02 0.00 -0.00 0.00 0.00 29.16 30.46 1wbn h TRP 337 CO 0.20 0.38 -0.04 -0.22 -0.00 0.00 0.00 178.44 178.76 1wbn h LYS 338 N 0.78 -0.05 -0.31 0.49 3.64 -0.87 0.95 116.57 121.19 1wbn h LYS 338 Ca 0.33 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.57 1wbn h LYS 338 Cb 0.20 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1wbn h LYS 338 CO -0.19 -0.03 -0.39 1.03 -2.27 0.00 0.00 179.45 177.60 1wbn h SER 339 N -0.05 0.80 -0.53 4.20 0.87 -1.28 0.72 113.55 118.28 1wbn h SER 339 Ca 0.04 -0.36 0.09 0.00 -1.23 0.00 0.00 61.79 60.32 1wbn h SER 339 Cb 0.11 -0.23 -0.07 0.00 -0.44 0.00 0.00 62.40 61.78 1wbn h SER 339 CO -0.09 1.10 0.14 -0.07 -0.53 0.00 0.00 176.83 177.38 1wbn h LEU 340 N 0.62 0.08 -0.59 2.23 4.07 -1.04 -1.02 115.31 119.65 1wbn h LEU 340 Ca 0.05 0.08 -0.03 0.00 0.08 0.00 0.00 57.88 58.07 1wbn h LEU 340 Cb 0.94 0.10 -0.03 0.00 1.08 0.00 0.00 40.66 42.76 1wbn h LEU 340 CO 0.09 0.06 0.25 0.74 -1.08 0.00 0.00 178.44 178.51 1wbn h THR 341 N 0.29 1.22 -0.70 0.22 2.02 -0.11 -2.76 112.91 113.09 1wbn h THR 341 Ca 0.27 -0.67 -0.02 0.00 0.77 0.00 0.00 66.41 66.76 1wbn h THR 341 Cb 0.35 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.28 1wbn h THR 341 CO -0.32 0.26 0.36 0.22 0.37 0.00 0.00 175.52 176.42 1wbn h TYR 342 N 0.82 0.98 -0.61 3.16 3.20 -0.47 -0.44 116.97 123.61 1wbn h TYR 342 Ca 0.20 -0.04 0.04 0.00 3.14 0.00 0.00 58.73 62.08 1wbn h TYR 342 Cb 0.17 -0.31 -0.05 0.00 1.54 0.00 0.00 36.73 38.09 1wbn h TYR 342 CO 0.01 0.71 0.35 -0.44 -1.64 0.00 0.00 178.16 177.15 1wbn h ASP 343 N 0.97 0.54 -0.64 -2.11 3.32 -1.05 -1.05 116.42 116.40 1wbn h ASP 343 Ca 0.24 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.25 1wbn h ASP 343 Cb 0.08 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 1wbn h ASP 343 CO -0.03 0.37 0.20 -0.33 -1.72 0.00 0.00 179.24 177.72 1wbn h GLU 344 N 0.67 1.03 0.25 3.56 4.39 -1.07 -0.93 114.58 122.48 1wbn h GLU 344 Ca 0.26 -0.21 -0.00 0.00 0.34 0.00 0.00 59.36 59.74 1wbn h GLU 344 Cb 0.10 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1wbn h GLU 344 CO -0.14 0.88 -0.20 0.28 -1.16 0.00 0.00 179.01 178.68 1wbn h VAL 345 N 0.99 0.58 0.00 3.13 2.07 -0.53 -2.99 116.25 119.49 1wbn h VAL 345 Ca 0.22 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.73 1wbn h VAL 345 Cb 0.29 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1wbn h VAL 345 CO -0.01 0.00 -0.05 0.40 0.02 0.00 0.00 177.57 177.93 1wbn h ILE 346 N -0.46 0.11 -0.00 4.57 2.04 -0.98 -2.68 117.51 120.11 1wbn h ILE 346 Ca -0.01 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 65.10 1wbn h ILE 346 Cb 0.40 1.67 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 1wbn h ILE 346 CO -0.01 0.05 -0.30 -1.54 0.00 0.00 0.00 178.15 176.35 1wbn n SER 347 N -3.15 0.44 -4.73 1.72 3.41 -0.37 -4.96 113.62 105.98 1wbn n SER 347 Ca 0.01 -0.19 -0.42 0.00 -0.26 0.00 0.00 58.87 58.01 1wbn n SER 347 Cb 0.38 0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.32 1wbn n SER 347 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1wbn n PHE 348 N -1.32 2.76 -4.03 7.33 7.35 -1.01 -4.99 117.46 123.54 1wbn n PHE 348 Ca 0.08 0.21 -0.34 0.00 -0.76 0.00 0.00 57.45 56.64 1wbn n PHE 348 Cb 0.33 -2.61 -0.15 0.00 0.35 0.00 0.00 39.48 37.40 1wbn n PHE 348 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 1wbn s VAL 349 N 0.35 2.76 0.77 -2.13 1.01 -1.26 -5.08 120.40 116.82 1wbn s VAL 349 Ca 0.68 -0.70 -0.15 0.00 0.00 0.00 0.00 61.98 61.81 1wbn s VAL 349 Cb -0.52 -2.22 0.06 0.00 0.00 0.00 0.00 36.38 33.70 1wbn s VAL 349 CO 0.44 0.48 1.23 -0.81 0.00 0.00 0.00 175.10 176.44 1wbn n PRO 350 N 4.68 0.44 -1.83 2.72 -0.04 -1.26 -4.99 135.00 134.72 1wbn n PRO 350 Ca -0.19 0.22 -0.33 0.00 -0.04 0.00 0.00 63.50 63.16 1wbn n PRO 350 Cb 0.50 -2.47 0.04 0.00 -0.04 0.00 0.00 33.50 31.54 1wbn n PRO 350 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 1wbn s PRO 351 N -3.91 2.95 0.05 0.54 0.02 -1.26 -5.04 135.00 128.34 1wbn s PRO 351 Ca 0.76 1.33 -0.22 0.00 0.02 0.00 0.00 61.00 62.89 1wbn s PRO 351 Cb -0.32 -1.97 -0.06 0.00 0.02 0.00 0.00 34.50 32.17 1wbn s PRO 351 CO 0.48 -1.12 0.64 -1.25 -0.33 0.00 0.00 177.00 175.41 1wbn s PRO 352 N -4.11 4.35 0.37 5.54 0.04 -1.26 -5.09 135.00 134.83 1wbn s PRO 352 Ca 0.66 0.84 -0.20 0.00 0.04 0.00 0.00 61.00 62.34 1wbn s PRO 352 Cb -0.19 -3.31 -0.10 0.00 0.04 0.00 0.00 34.50 30.94 1wbn s PRO 352 CO 0.40 0.46 0.87 -0.48 0.04 0.00 0.00 177.00 178.30 1wbn s LEU 353 N -0.55 4.08 0.00 -3.56 -0.00 -1.26 -5.03 118.68 112.36 1wbn s LEU 353 Ca 0.32 1.59 0.00 0.00 -0.00 0.00 0.00 54.13 56.04 1wbn s LEU 353 Cb -0.20 -4.25 0.00 0.00 -0.00 0.00 0.00 46.19 41.75 1wbn s LEU 353 CO 0.20 -0.23 0.99 -0.67 -0.00 0.00 0.00 176.35 176.63 1wbn n ASP 354 N -0.23 0.00 0.00 1.48 2.03 -1.26 -5.30 116.55 113.26 1wbn n ASP 354 Ca 0.04 0.99 0.00 0.00 0.52 0.00 0.00 54.79 56.34 1wbn n ASP 354 Cb 0.53 -0.49 0.00 0.00 -0.72 0.00 0.00 41.12 40.44 1wbn n ASP 354 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28