#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wnb s GLN 2 N 0.00 3.90 0.00 0.03 2.00 -1.26 -5.00 119.66 119.32 1wnb s GLN 2 Ca 0.00 -0.38 0.00 0.00 -2.00 0.00 0.00 55.36 52.98 1wnb s GLN 2 Cb 0.00 -3.18 0.00 0.00 0.80 0.00 0.00 33.01 30.63 1wnb s GLN 2 CO 0.00 0.22 0.52 -2.39 -0.50 0.00 0.00 175.29 173.14 1wnb n HIS 3 N 3.68 0.00 -3.87 1.67 1.44 -1.26 -4.61 115.22 112.26 1wnb n HIS 3 Ca -0.17 -0.13 -0.28 0.00 -2.01 0.00 0.00 57.72 55.14 1wnb n HIS 3 Cb 0.52 -0.01 -0.03 0.00 0.12 0.00 0.00 29.99 30.59 1wnb n HIS 3 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 1wnb s LYS 4 N -0.26 3.47 0.63 -1.40 1.02 -1.26 -4.68 119.74 117.26 1wnb s LYS 4 Ca 0.00 -0.49 -0.11 0.00 0.02 0.00 0.00 55.97 55.39 1wnb s LYS 4 Cb 0.00 -2.95 -0.03 0.00 -0.52 0.00 0.00 37.83 34.33 1wnb s LYS 4 CO 0.00 0.51 1.04 -0.51 -0.92 0.00 0.00 175.35 175.47 1wnb s LEU 5 N -3.09 3.20 -0.21 3.17 1.43 0.25 -4.71 118.68 118.72 1wnb s LEU 5 Ca 0.36 1.41 -0.04 0.00 -1.03 0.00 0.00 54.13 54.82 1wnb s LEU 5 Cb -0.11 -4.43 -0.02 0.00 0.03 0.00 0.00 46.19 41.66 1wnb s LEU 5 CO 0.28 -0.94 -0.03 -0.22 0.23 0.00 0.00 176.35 175.68 1wnb s LEU 6 N -5.22 3.04 -0.10 1.79 0.20 -0.57 -0.46 118.68 117.36 1wnb s LEU 6 Ca 0.55 -0.31 -0.03 0.00 0.69 0.00 0.00 54.13 55.03 1wnb s LEU 6 Cb -0.11 -1.77 0.05 0.00 -0.43 0.00 0.00 46.19 43.93 1wnb s LEU 6 CO 0.54 0.02 0.14 -0.63 -0.29 0.00 0.00 176.35 176.13 1wnb s ILE 7 N 1.25 -0.22 -1.33 6.68 1.01 -0.01 -0.94 121.20 127.64 1wnb s ILE 7 Ca 0.03 0.24 -0.05 0.00 0.00 0.00 0.00 60.65 60.86 1wnb s ILE 7 Cb -0.14 -0.36 0.02 0.00 0.01 0.00 0.00 42.46 41.98 1wnb s ILE 7 CO -0.00 0.05 1.01 -3.20 0.00 0.00 0.00 174.94 172.79 1wnb n ASN 8 N 5.31 -3.81 -0.25 3.58 5.15 -1.26 -1.95 115.26 122.03 1wnb n ASN 8 Ca -0.05 -0.66 -0.03 0.00 -0.60 0.00 0.00 54.58 53.25 1wnb n ASN 8 Cb 0.50 -4.70 -0.01 0.00 -0.53 0.00 0.00 39.78 35.03 1wnb n ASN 8 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1wnb n GLY 9 N -1.60 0.57 3.19 8.20 0.00 -1.26 -4.53 105.19 109.77 1wnb n GLY 9 Ca -0.14 -0.24 -0.23 0.00 0.00 0.00 0.00 46.02 45.42 1wnb n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wnb s GLU 10 N -1.54 1.17 -0.27 1.61 0.41 -0.82 -4.94 118.70 114.32 1wnb s GLU 10 Ca 0.00 -0.82 -0.19 0.00 -0.41 0.00 0.00 54.97 53.55 1wnb s GLU 10 Cb 0.00 -1.23 -0.02 0.00 -1.78 0.00 0.00 34.13 31.10 1wnb s GLU 10 CO 0.00 0.31 0.55 -0.51 -0.49 0.00 0.00 175.26 175.12 1wnb s LEU 11 N -1.08 4.08 -0.01 1.80 1.43 -1.26 -0.83 118.68 122.81 1wnb s LEU 11 Ca 0.05 0.52 0.01 0.00 -1.03 0.00 0.00 54.13 53.67 1wnb s LEU 11 Cb -0.08 -2.71 0.00 0.00 0.03 0.00 0.00 46.19 43.44 1wnb s LEU 11 CO 0.01 -0.33 -0.03 0.68 0.23 0.00 0.00 176.35 176.91 1wnb s VAL 12 N 2.38 0.31 0.26 -1.59 -7.23 0.40 -4.90 120.40 110.04 1wnb s VAL 12 Ca 0.22 -0.12 -0.30 0.00 -1.81 0.00 0.00 61.98 59.97 1wnb s VAL 12 Cb -0.16 -0.30 -0.10 0.00 0.56 0.00 0.00 36.38 36.39 1wnb s VAL 12 CO 0.09 0.11 1.39 -0.44 -0.31 0.00 0.00 175.10 175.95 1wnb s SER 13 N 0.19 6.71 0.48 4.85 0.01 -1.26 0.85 113.70 125.54 1wnb s SER 13 Ca -0.02 2.64 -0.24 0.00 1.31 0.00 0.00 55.95 59.65 1wnb s SER 13 Cb -0.05 -2.63 -0.07 0.00 0.21 0.00 0.00 66.02 63.48 1wnb s SER 13 CO -0.00 -0.64 1.31 0.61 0.41 0.00 0.00 173.24 174.92 1wnb n GLY 14 N 1.84 0.64 0.86 3.44 0.00 -1.26 -4.86 105.19 105.85 1wnb n GLY 14 Ca 0.05 0.11 0.07 0.00 0.00 0.00 0.00 46.02 46.25 1wnb n GLY 14 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wnb n GLU 15 N -0.44 2.98 -0.61 1.61 1.02 -1.13 -4.71 120.64 119.36 1wnb n GLU 15 Ca 0.08 -2.37 0.00 0.00 -0.02 0.00 0.00 57.16 54.85 1wnb n GLU 15 Cb 0.42 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 1wnb n GLU 15 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wnb n GLY 16 N 0.46 0.76 3.76 0.62 0.00 0.55 -4.70 105.19 106.63 1wnb n GLY 16 Ca 0.16 -1.95 -0.41 0.00 0.00 0.00 0.00 46.02 43.82 1wnb n GLY 16 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wnb s GLU 17 N -2.35 4.43 0.36 1.61 2.12 -1.26 -3.80 118.70 119.81 1wnb s GLU 17 Ca 0.00 2.08 -0.28 0.00 0.36 0.00 0.00 54.97 57.14 1wnb s GLU 17 Cb 0.00 -3.13 -0.10 0.00 0.26 0.00 0.00 34.13 31.16 1wnb s GLU 17 CO 0.00 -0.12 1.30 0.15 -0.54 0.00 0.00 175.26 176.05 1wnb s LYS 18 N -1.28 4.23 -0.00 4.30 1.02 -1.26 -0.56 119.74 126.19 1wnb s LYS 18 Ca 0.50 2.18 0.01 0.00 0.02 0.00 0.00 55.97 58.68 1wnb s LYS 18 Cb -0.37 -2.96 -0.00 0.00 -0.52 0.00 0.00 37.83 33.97 1wnb s LYS 18 CO 0.46 -0.28 -0.04 -0.65 -0.92 0.00 0.00 175.35 173.93 1wnb s GLN 19 N -1.95 0.30 0.33 1.68 -1.52 0.03 -4.91 119.66 113.62 1wnb s GLN 19 Ca 0.52 -0.13 -0.29 0.00 -1.95 0.00 0.00 55.36 53.51 1wnb s GLN 19 Cb -0.39 -0.29 -0.10 0.00 -0.22 0.00 0.00 33.01 32.01 1wnb s GLN 19 CO 0.51 0.08 1.31 -1.25 -0.25 0.00 0.00 175.29 175.68 1wnb s PRO 20 N -0.08 4.36 -0.15 2.91 0.04 -1.26 -1.41 135.00 139.41 1wnb s PRO 20 Ca 0.01 2.21 0.02 0.00 0.04 0.00 0.00 61.00 63.28 1wnb s PRO 20 Cb -0.02 -3.08 0.01 0.00 0.04 0.00 0.00 34.50 31.46 1wnb s PRO 20 CO -0.00 -0.19 -0.19 0.08 0.04 0.00 0.00 177.00 176.74 1wnb s VAL 21 N -1.09 2.27 0.00 -0.36 1.01 -0.14 -4.93 120.40 117.17 1wnb s VAL 21 Ca 0.49 -0.90 -0.05 0.00 0.00 0.00 0.00 61.98 61.52 1wnb s VAL 21 Cb -0.40 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 1wnb s VAL 21 CO 0.52 0.54 0.23 -0.31 0.00 0.00 0.00 175.10 176.08 1wnb s TYR 22 N 0.88 3.56 -0.65 5.22 1.51 -1.26 0.10 117.35 126.70 1wnb s TYR 22 Ca -0.05 0.48 -0.26 0.00 -1.01 0.00 0.00 57.07 56.22 1wnb s TYR 22 Cb -0.15 -1.92 0.04 0.00 -0.11 0.00 0.00 41.96 39.81 1wnb s TYR 22 CO -0.03 0.62 1.17 1.21 -1.11 0.00 0.00 175.55 177.41 1wnb s ASN 23 N -1.82 6.28 0.62 2.29 3.04 0.76 -4.75 114.94 121.35 1wnb s ASN 23 Ca 0.28 -0.32 0.40 0.00 0.04 0.00 0.00 52.86 53.25 1wnb s ASN 23 Cb -0.13 -2.52 1.96 0.00 -1.54 0.00 0.00 41.25 39.02 1wnb s ASN 23 CO 0.17 -1.59 2.20 1.55 -3.04 0.00 0.00 177.10 176.39 1wnb h PRO 24 N 9.72 0.00 0.00 0.43 0.13 -1.77 0.46 132.00 140.96 1wnb h PRO 24 Ca -0.27 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.81 1wnb h PRO 24 Cb 1.06 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 1wnb h PRO 24 CO 1.21 0.00 -0.23 0.00 -0.23 0.00 0.00 178.00 178.75 1wnb h ALA 25 N 2.00 1.09 0.00 -0.56 0.00 -1.89 0.11 119.26 120.01 1wnb h ALA 25 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1wnb h ALA 25 Cb 0.23 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1wnb h ALA 25 CO 0.00 0.29 -0.02 0.25 0.00 0.00 0.00 179.25 179.77 1wnb n THR 26 N -3.49 0.00 -0.78 0.00 -2.24 -0.52 -3.91 114.28 103.34 1wnb n THR 26 Ca -0.00 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1wnb n THR 26 Cb 0.40 0.98 0.00 0.00 -2.10 0.00 0.00 70.33 69.61 1wnb n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wnb n GLY 27 N 0.79 0.66 3.81 3.38 0.00 0.15 -3.25 105.19 110.72 1wnb n GLY 27 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1wnb n GLY 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wnb s ASP 28 N -2.64 6.46 0.04 1.61 1.01 -1.23 -4.79 116.67 117.15 1wnb s ASP 28 Ca 0.00 1.84 -0.31 0.00 0.71 0.00 0.00 52.55 54.80 1wnb s ASP 28 Cb 0.00 -2.55 -0.06 0.00 1.01 0.00 0.00 42.92 41.32 1wnb s ASP 28 CO 0.00 -0.69 1.28 -0.69 0.21 0.00 0.00 175.17 175.28 1wnb s VAL 29 N -2.09 3.84 -0.08 -1.27 1.01 -1.26 -0.17 120.40 120.37 1wnb s VAL 29 Ca 0.65 1.29 -0.21 0.00 0.00 0.00 0.00 61.98 63.72 1wnb s VAL 29 Cb -0.14 -3.83 -0.17 0.00 0.00 0.00 0.00 36.38 32.24 1wnb s VAL 29 CO 0.20 0.07 0.75 -0.07 0.00 0.00 0.00 175.10 176.04 1wnb h LEU 30 N 7.30 -0.09 -7.84 3.92 3.38 -0.65 -3.46 115.31 117.87 1wnb h LEU 30 Ca -0.40 -0.51 0.12 0.00 0.09 0.00 0.00 57.88 57.19 1wnb h LEU 30 Cb 1.20 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.91 1wnb h LEU 30 CO 0.85 0.59 0.35 -1.48 0.09 0.00 0.00 178.44 178.84 1wnb s LEU 31 N -8.72 -0.22 -0.06 1.67 0.05 -1.23 -5.03 118.68 105.15 1wnb s LEU 31 Ca -0.13 -0.52 -0.03 0.00 0.05 0.00 0.00 54.13 53.50 1wnb s LEU 31 Cb -0.01 2.46 -0.04 0.00 -2.05 0.00 0.00 46.19 46.56 1wnb s LEU 31 CO 0.49 -1.14 0.11 -1.61 -0.55 0.00 0.00 176.35 173.65 1wnb s GLU 32 N -3.61 3.25 -0.03 1.48 2.02 -1.26 -0.97 118.70 119.58 1wnb s GLU 32 Ca 0.12 -0.32 0.03 0.00 0.02 0.00 0.00 54.97 54.81 1wnb s GLU 32 Cb -0.04 -3.01 0.00 0.00 0.10 0.00 0.00 34.13 31.19 1wnb s GLU 32 CO 0.05 0.71 -0.10 0.42 0.02 0.00 0.00 175.26 176.35 1wnb s ILE 33 N -1.12 0.90 0.17 -1.63 1.01 -0.50 -4.88 121.20 115.15 1wnb s ILE 33 Ca 0.20 -0.41 -0.30 0.00 0.00 0.00 0.00 60.65 60.13 1wnb s ILE 33 Cb -0.12 -0.80 -0.07 0.00 0.01 0.00 0.00 42.46 41.48 1wnb s ILE 33 CO 0.10 0.28 1.11 0.00 0.00 0.00 0.00 174.94 176.42 1wnb s ALA 34 N 0.24 3.37 0.74 9.38 0.00 -1.26 -0.79 121.76 133.44 1wnb s ALA 34 Ca -0.05 0.81 -0.11 0.00 0.00 0.00 0.00 51.96 52.62 1wnb s ALA 34 Cb -0.10 -3.36 0.03 0.00 0.00 0.00 0.00 23.12 19.70 1wnb s ALA 34 CO 0.01 -0.22 1.08 -1.21 0.00 0.00 0.00 175.76 175.41 1wnb s GLU 35 N -0.27 2.57 0.27 0.00 2.02 0.28 -4.04 118.70 119.53 1wnb s GLU 35 Ca 0.50 0.81 -0.30 0.00 0.02 0.00 0.00 54.97 56.00 1wnb s GLU 35 Cb -0.29 -1.96 -0.10 0.00 0.10 0.00 0.00 34.13 31.88 1wnb s GLU 35 CO 0.35 -1.32 1.40 0.00 0.02 0.00 0.00 175.26 175.71 1wnb s ALA 36 N -3.10 3.59 0.79 5.21 0.00 -0.28 -0.33 121.76 127.64 1wnb s ALA 36 Ca 0.59 1.31 -0.12 0.00 0.00 0.00 0.00 51.96 53.74 1wnb s ALA 36 Cb -0.14 -3.54 0.07 0.00 0.00 0.00 0.00 23.12 19.51 1wnb s ALA 36 CO 0.55 -0.72 1.12 -1.54 0.00 0.00 0.00 175.76 175.17 1wnb s SER 37 N 0.15 4.63 0.30 0.00 1.04 -1.26 -4.57 113.70 113.99 1wnb s SER 37 Ca 0.56 1.08 0.06 0.00 0.48 0.00 0.00 55.95 58.13 1wnb s SER 37 Cb -0.41 -1.75 0.74 0.00 0.10 0.00 0.00 66.02 64.70 1wnb s SER 37 CO 0.46 -1.85 1.76 0.00 0.98 0.00 0.00 173.24 174.58 1wnb h ALA 38 N -1.01 1.63 -0.18 5.32 0.00 -1.96 -1.41 119.26 121.64 1wnb h ALA 38 Ca -0.47 0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.36 1wnb h ALA 38 Cb 1.29 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1wnb h ALA 38 CO 0.63 -0.12 -0.61 0.93 0.00 0.00 0.00 179.25 180.08 1wnb h GLU 39 N 0.69 0.62 -0.54 0.00 5.08 -1.99 -2.58 114.58 115.86 1wnb h GLU 39 Ca 0.58 -0.43 -0.08 0.00 -1.00 0.00 0.00 59.36 58.43 1wnb h GLU 39 Cb 0.95 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 1wnb h GLU 39 CO -0.41 1.04 0.01 1.96 -1.00 0.00 0.00 179.01 180.61 1wnb h GLN 40 N 0.47 0.94 0.43 2.33 4.20 -1.69 0.47 115.11 122.25 1wnb h GLN 40 Ca -0.00 -0.29 -0.01 0.00 0.06 0.00 0.00 58.65 58.40 1wnb h GLN 40 Cb 1.18 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.86 1wnb h GLN 40 CO 0.12 0.95 -0.34 0.28 -0.67 0.00 0.00 178.83 179.17 1wnb h VAL 41 N 0.82 0.30 -0.34 -0.54 2.07 -1.21 0.41 116.25 117.76 1wnb h VAL 41 Ca 0.15 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.74 1wnb h VAL 41 Cb 0.52 0.30 -0.06 0.00 -1.52 0.00 0.00 31.29 30.52 1wnb h VAL 41 CO 0.03 0.00 -0.08 -0.78 0.02 0.00 0.00 177.57 176.75 1wnb h ASP 42 N -0.77 -0.32 -0.95 0.57 3.58 -1.46 -0.72 116.42 116.36 1wnb h ASP 42 Ca -0.04 0.10 0.11 0.00 0.42 0.00 0.00 57.03 57.62 1wnb h ASP 42 Cb 0.66 0.21 -0.08 0.00 1.72 0.00 0.00 39.33 41.84 1wnb h ASP 42 CO -0.01 -0.11 0.58 0.00 -2.88 0.00 0.00 179.24 176.82 1wnb h ALA 43 N 1.34 1.40 -0.71 -0.78 0.00 -0.79 -0.27 119.26 119.45 1wnb h ALA 43 Ca 0.16 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1wnb h ALA 43 Cb 0.25 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1wnb h ALA 43 CO -0.35 0.20 0.23 0.00 0.00 0.00 0.00 179.25 179.34 1wnb h ALA 44 N 1.51 0.92 -0.02 0.00 0.00 -0.08 -1.09 119.26 120.50 1wnb h ALA 44 Ca 0.46 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 55.01 1wnb h ALA 44 Cb 0.43 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1wnb h ALA 44 CO -0.25 0.59 -0.66 0.28 0.00 0.00 0.00 179.25 179.21 1wnb h VAL 45 N 1.03 1.45 -0.13 0.00 2.07 -0.63 -2.29 116.25 117.74 1wnb h VAL 45 Ca 0.23 -2.19 -0.23 0.00 0.82 0.00 0.00 66.70 65.33 1wnb h VAL 45 Cb 0.28 2.17 0.01 0.00 -1.52 0.00 0.00 31.29 32.23 1wnb h VAL 45 CO -0.01 0.63 -0.80 0.03 0.02 0.00 0.00 177.57 177.45 1wnb h ARG 46 N 0.06 0.77 -0.48 1.57 3.08 -0.55 -1.43 114.38 117.41 1wnb h ARG 46 Ca -0.01 -0.66 -0.01 0.00 0.07 0.00 0.00 59.98 59.38 1wnb h ARG 46 Cb 1.17 0.14 -0.02 0.00 0.08 0.00 0.00 29.97 31.34 1wnb h ARG 46 CO 0.09 1.26 0.28 0.00 -1.07 0.00 0.00 179.97 180.53 1wnb h ALA 47 N 0.52 0.62 -0.67 0.04 0.00 -1.20 -1.02 119.26 117.55 1wnb h ALA 47 Ca -0.06 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.81 1wnb h ALA 47 Cb 1.43 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 1wnb h ALA 47 CO 0.16 0.12 0.41 0.00 0.00 0.00 0.00 179.25 179.95 1wnb h ALA 48 N 1.12 0.88 -0.70 0.00 0.00 -1.27 0.31 119.26 119.61 1wnb h ALA 48 Ca 0.17 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1wnb h ALA 48 Cb 0.02 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1wnb h ALA 48 CO -0.03 0.16 0.33 0.22 0.00 0.00 0.00 179.25 179.93 1wnb h ASP 49 N 0.80 0.91 0.04 0.00 3.58 -0.95 -1.58 116.42 119.22 1wnb h ASP 49 Ca 0.28 -0.13 -0.19 0.00 0.42 0.00 0.00 57.03 57.40 1wnb h ASP 49 Cb 0.05 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 40.87 1wnb h ASP 49 CO -0.12 0.79 -0.70 0.00 -2.88 0.00 0.00 179.24 176.33 1wnb h ALA 50 N 1.16 0.51 -0.06 -0.78 0.00 -0.68 -2.91 119.26 116.51 1wnb h ALA 50 Ca 0.24 -0.58 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 1wnb h ALA 50 Cb 0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1wnb h ALA 50 CO -0.03 0.72 -0.12 0.00 0.00 0.00 0.00 179.25 179.81 1wnb h ALA 51 N 0.80 1.69 -0.31 0.00 0.00 -0.22 -3.14 119.26 118.09 1wnb h ALA 51 Ca -0.03 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.76 1wnb h ALA 51 Cb 1.29 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1wnb h ALA 51 CO 0.13 0.23 0.20 0.35 0.00 0.00 0.00 179.25 180.17 1wnb h PHE 52 N 0.09 0.30 -0.39 0.00 3.57 -1.08 -1.06 116.94 118.37 1wnb h PHE 52 Ca 0.02 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.61 1wnb h PHE 52 Cb 0.28 -0.10 -0.09 0.00 2.79 0.00 0.00 35.95 38.83 1wnb h PHE 52 CO 0.00 0.18 -0.27 0.00 -2.23 0.00 0.00 178.31 175.99 1wnb h ALA 53 N 1.82 -0.07 0.03 2.41 0.00 -1.68 0.03 119.26 121.81 1wnb h ALA 53 Ca 0.12 0.12 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 1wnb h ALA 53 Cb 0.10 0.60 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1wnb h ALA 53 CO -0.03 -0.66 -0.55 0.93 0.00 0.00 0.00 179.25 178.94 1wnb h GLU 54 N -0.21 0.06 -0.92 0.00 5.08 -1.75 -3.38 114.58 113.47 1wnb h GLU 54 Ca 0.18 -0.11 0.15 0.00 -1.00 0.00 0.00 59.36 58.58 1wnb h GLU 54 Cb 0.50 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.71 1wnb h GLU 54 CO -0.51 1.05 0.59 2.35 -1.00 0.00 0.00 179.01 181.49 1wnb h TRP 55 N -0.85 0.87 0.00 4.33 2.91 -1.14 -1.47 115.95 120.61 1wnb h TRP 55 Ca -0.13 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.91 1wnb h TRP 55 Cb 1.23 -0.27 0.00 0.00 -0.51 0.00 0.00 29.16 29.61 1wnb h TRP 55 CO 0.21 0.31 0.00 0.41 -1.03 0.00 0.00 178.44 178.34 1wnb n GLY 56 N -1.42 -1.17 0.85 2.65 0.00 -0.01 -1.94 105.19 104.16 1wnb n GLY 56 Ca 0.18 -0.15 0.07 0.00 0.00 0.00 0.00 46.02 46.13 1wnb n GLY 56 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1wnb n GLN 57 N -1.22 2.86 -1.13 1.61 6.02 -0.56 -4.80 117.38 120.17 1wnb n GLN 57 Ca 0.16 -2.25 -0.30 0.00 -0.01 0.00 0.00 57.00 54.60 1wnb n GLN 57 Cb 0.20 -1.38 0.14 0.00 1.02 0.00 0.00 30.24 30.22 1wnb n GLN 57 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1wnb s THR 58 N -1.07 2.73 0.37 5.09 -4.23 -0.82 -5.03 115.64 112.68 1wnb s THR 58 Ca 0.31 0.24 -0.15 0.00 -1.18 0.00 0.00 61.69 60.91 1wnb s THR 58 Cb 0.17 -2.65 -0.08 0.00 1.34 0.00 0.00 72.50 71.27 1wnb s THR 58 CO 0.20 -0.31 0.79 0.42 -0.54 0.00 0.00 174.62 175.18 1wnb s THR 59 N -2.87 4.67 0.33 3.99 -4.23 -1.26 -4.97 115.64 111.29 1wnb s THR 59 Ca 0.63 0.94 0.08 0.00 -1.18 0.00 0.00 61.69 62.16 1wnb s THR 59 Cb -0.19 -3.65 0.40 0.00 1.34 0.00 0.00 72.50 70.40 1wnb s THR 59 CO 0.57 -0.32 1.57 -2.65 -0.54 0.00 0.00 174.62 173.24 1wnb n PRO 60 N -0.73 -0.07 -0.14 3.99 -0.02 -1.26 -1.87 135.00 134.89 1wnb n PRO 60 Ca 0.04 1.46 -0.08 0.00 -2.02 0.00 0.00 63.50 62.89 1wnb n PRO 60 Cb 0.53 -2.41 0.07 0.00 -0.02 0.00 0.00 33.50 31.68 1wnb n PRO 60 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1wnb h LYS 61 N 0.00 0.91 -0.53 -0.52 3.64 -1.93 0.36 116.57 118.50 1wnb h LYS 61 Ca 0.68 -0.32 -0.09 0.00 -1.27 0.00 0.00 60.65 59.65 1wnb h LYS 61 Cb 1.57 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 33.31 1wnb h LYS 61 CO -0.88 0.97 -0.05 0.28 -2.27 0.00 0.00 179.45 177.50 1wnb h VAL 62 N 0.81 1.26 -0.05 2.00 2.07 -1.76 -1.82 116.25 118.76 1wnb h VAL 62 Ca 0.13 -1.15 -0.03 0.00 0.82 0.00 0.00 66.70 66.47 1wnb h VAL 62 Cb 0.64 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1wnb h VAL 62 CO 0.04 0.41 -0.07 0.03 0.02 0.00 0.00 177.57 178.00 1wnb h ARG 63 N 0.86 0.14 -0.96 1.57 3.08 -1.15 -1.79 114.38 116.11 1wnb h ARG 63 Ca 0.15 -0.08 0.30 0.00 0.07 0.00 0.00 59.98 60.42 1wnb h ARG 63 Cb 0.57 0.01 -0.15 0.00 0.08 0.00 0.00 29.97 30.47 1wnb h ARG 63 CO 0.03 0.63 0.42 0.00 -1.07 0.00 0.00 179.97 179.98 1wnb h ALA 64 N 0.51 1.70 0.07 0.04 0.00 -0.86 -0.02 119.26 120.70 1wnb h ALA 64 Ca 0.01 0.22 -0.25 0.00 0.00 0.00 0.00 54.91 54.88 1wnb h ALA 64 Cb 0.61 0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.67 1wnb h ALA 64 CO 0.02 -0.58 -1.09 0.93 0.00 0.00 0.00 179.25 178.52 1wnb h GLU 65 N 0.23 0.38 -0.14 0.00 5.08 -0.77 -1.19 114.58 118.17 1wnb h GLU 65 Ca 0.68 -0.50 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1wnb h GLU 65 Cb 1.52 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.93 1wnb h GLU 65 CO -0.67 1.18 0.08 0.00 -1.00 0.00 0.00 179.01 178.60 1wnb h LEU 67 N 0.13 1.02 -1.31 0.00 3.38 -0.87 -1.31 115.31 116.36 1wnb h LEU 67 Ca 0.05 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1wnb h LEU 67 Cb 0.06 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1wnb h LEU 67 CO -0.01 0.73 0.16 -0.07 0.09 0.00 0.00 178.44 179.34 1wnb h LEU 68 N 1.20 0.57 -0.33 1.67 3.38 -1.19 0.28 115.31 120.89 1wnb h LEU 68 Ca 0.34 -0.07 -0.19 0.00 0.09 0.00 0.00 57.88 58.05 1wnb h LEU 68 Cb -0.10 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.50 1wnb h LEU 68 CO -0.09 0.54 -0.71 0.11 0.09 0.00 0.00 178.44 178.38 1wnb h LYS 69 N 0.63 0.58 -0.26 1.13 1.57 -1.04 -1.62 116.57 117.55 1wnb h LYS 69 Ca 0.15 -0.45 -0.01 0.00 -1.87 0.00 0.00 60.65 58.47 1wnb h LYS 69 Cb 0.16 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1wnb h LYS 69 CO -0.01 1.07 0.13 1.25 -0.57 0.00 0.00 179.45 181.33 1wnb h LEU 70 N 0.40 0.33 -0.61 2.94 5.85 -0.92 -1.86 115.31 121.44 1wnb h LEU 70 Ca -0.03 -0.10 0.12 0.00 0.84 0.00 0.00 57.88 58.71 1wnb h LEU 70 Cb 1.31 -0.08 -0.12 0.00 0.37 0.00 0.00 40.66 42.14 1wnb h LEU 70 CO 0.13 0.34 -0.14 0.00 -0.34 0.00 0.00 178.44 178.43 1wnb h ALA 71 N 1.01 0.42 -0.87 1.25 0.00 -0.83 -1.92 119.26 118.32 1wnb h ALA 71 Ca 0.09 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1wnb h ALA 71 Cb 0.09 0.45 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1wnb h ALA 71 CO -0.01 -0.43 0.49 -0.44 0.00 0.00 0.00 179.25 178.86 1wnb h ASP 72 N 0.01 1.07 -0.20 0.00 3.32 -0.78 -0.98 116.42 118.85 1wnb h ASP 72 Ca 0.30 -0.09 -0.16 0.00 0.02 0.00 0.00 57.03 57.10 1wnb h ASP 72 Cb 0.45 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1wnb h ASP 72 CO -0.62 0.85 -0.46 0.58 -1.72 0.00 0.00 179.24 177.86 1wnb h VAL 73 N 1.21 1.29 -0.35 -1.35 2.07 -0.96 -0.56 116.25 117.59 1wnb h VAL 73 Ca 0.31 -1.65 -0.09 0.00 0.82 0.00 0.00 66.70 66.08 1wnb h VAL 73 Cb 0.01 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1wnb h VAL 73 CO -0.05 0.54 -0.15 0.40 0.02 0.00 0.00 177.57 178.32 1wnb h ILE 74 N 0.61 1.29 -0.50 4.57 2.04 -1.19 -2.87 117.51 121.46 1wnb h ILE 74 Ca 0.03 -1.26 -0.03 0.00 1.00 0.00 0.00 64.86 64.61 1wnb h ILE 74 Cb 1.03 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 38.46 1wnb h ILE 74 CO 0.10 0.41 0.20 -0.08 0.00 0.00 0.00 178.15 178.78 1wnb h GLU 75 N 0.49 0.75 0.00 2.37 4.81 -0.72 -1.71 114.58 120.57 1wnb h GLU 75 Ca 0.08 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1wnb h GLU 75 Cb 0.68 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.94 1wnb h GLU 75 CO 0.05 0.66 -0.05 0.93 -0.73 0.00 0.00 179.01 179.87 1wnb h GLU 76 N 0.67 0.00 -0.40 1.92 5.08 -1.18 -2.66 114.58 118.00 1wnb h GLU 76 Ca 0.17 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.31 1wnb h GLU 76 Cb 0.20 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.32 1wnb h GLU 76 CO -0.01 0.05 -0.06 0.09 -1.00 0.00 0.00 179.01 178.08 1wnb n ASN 77 N -3.46 2.63 -0.14 1.42 4.13 -0.69 -4.81 115.26 114.34 1wnb n ASN 77 Ca -0.02 -3.79 -0.08 0.00 1.68 0.00 0.00 54.58 52.36 1wnb n ASN 77 Cb 0.17 -0.65 -0.00 0.00 -1.54 0.00 0.00 39.78 37.76 1wnb n ASN 77 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 1wnb h GLY 78 N 1.04 0.61 0.95 7.41 0.00 -1.06 -1.95 103.07 110.08 1wnb h GLY 78 Ca 0.26 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1wnb h GLY 78 CO 0.45 0.27 -0.05 -1.61 0.00 0.00 0.00 176.54 175.61 1wnb h GLN 79 N 0.53 -0.10 -0.07 4.80 5.75 -1.87 0.96 115.11 125.10 1wnb h GLN 79 Ca 0.14 0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.65 1wnb h GLN 79 Cb 0.07 0.02 -0.00 0.00 1.07 0.00 0.00 27.48 28.64 1wnb h GLN 79 CO -0.02 -0.07 0.04 0.28 -2.65 0.00 0.00 178.83 176.41 1wnb h VAL 80 N -0.11 1.07 -0.33 2.39 2.07 -1.92 -1.49 116.25 117.94 1wnb h VAL 80 Ca 0.00 -0.20 0.06 0.00 0.82 0.00 0.00 66.70 67.39 1wnb h VAL 80 Cb 0.10 1.07 -0.06 0.00 -1.52 0.00 0.00 31.29 30.88 1wnb h VAL 80 CO -0.01 0.06 -0.04 -0.26 0.02 0.00 0.00 177.57 177.34 1wnb h PHE 81 N 0.04 -0.10 -0.65 1.57 0.04 -1.13 -0.71 116.94 116.01 1wnb h PHE 81 Ca 0.03 0.03 0.04 0.00 2.80 0.00 0.00 57.97 60.86 1wnb h PHE 81 Cb 0.06 0.09 -0.05 0.00 2.20 0.00 0.00 35.95 38.26 1wnb h PHE 81 CO -0.05 -0.10 0.38 0.00 -0.60 0.00 0.00 178.31 177.94 1wnb h ALA 82 N 1.31 0.86 -0.07 2.45 0.00 -0.64 -1.39 119.26 121.78 1wnb h ALA 82 Ca 0.16 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1wnb h ALA 82 Cb 0.23 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1wnb h ALA 82 CO -0.31 0.11 0.04 0.93 0.00 0.00 0.00 179.25 180.02 1wnb h GLU 83 N 0.74 0.10 -0.88 0.00 5.08 -0.71 0.44 114.58 119.35 1wnb h GLU 83 Ca 0.27 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.65 1wnb h GLU 83 Cb 0.09 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.27 1wnb h GLU 83 CO -0.14 0.13 0.58 -0.07 -1.00 0.00 0.00 179.01 178.51 1wnb h LEU 84 N 0.04 0.97 -0.45 1.33 3.38 -0.93 0.15 115.31 119.80 1wnb h LEU 84 Ca 0.03 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1wnb h LEU 84 Cb 0.06 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1wnb h LEU 84 CO -0.00 0.68 0.05 -0.08 0.09 0.00 0.00 178.44 179.18 1wnb h GLU 85 N 1.14 0.76 -0.63 1.13 4.57 -0.91 -1.02 114.58 119.62 1wnb h GLU 85 Ca 0.34 -0.22 -0.06 0.00 -1.18 0.00 0.00 59.36 58.24 1wnb h GLU 85 Cb -0.06 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.43 1wnb h GLU 85 CO -0.10 0.80 0.14 1.03 -1.18 0.00 0.00 179.01 179.70 1wnb h SER 86 N 0.62 0.97 -0.52 1.04 0.87 -0.66 0.58 113.55 116.44 1wnb h SER 86 Ca 0.13 -0.24 -0.08 0.00 -1.23 0.00 0.00 61.79 60.37 1wnb h SER 86 Cb 0.42 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 1wnb h SER 86 CO 0.01 0.96 0.02 0.03 -0.53 0.00 0.00 176.83 177.32 1wnb h ARG 87 N 0.93 0.95 0.04 2.24 3.08 -0.87 0.20 114.38 120.96 1wnb h ARG 87 Ca 0.20 -0.27 -0.26 0.00 0.07 0.00 0.00 59.98 59.72 1wnb h ARG 87 Cb 0.37 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 1wnb h ARG 87 CO 0.00 0.92 -1.34 -0.97 -1.07 0.00 0.00 179.97 177.52 1wnb h ASN 88 N 0.88 0.15 -0.00 7.04 -0.73 -0.90 -3.39 115.58 118.62 1wnb h ASN 88 Ca 0.17 -0.20 0.00 0.00 1.87 0.00 0.00 56.30 58.14 1wnb h ASN 88 Cb 0.48 -0.05 0.00 0.00 0.27 0.00 0.00 38.32 39.03 1wnb h ASN 88 CO 0.02 1.16 -0.42 0.00 -0.37 0.00 0.00 177.43 177.83 1wnb n GLY 90 N 1.15 1.04 3.70 0.00 0.00 0.70 -4.78 105.19 107.00 1wnb n GLY 90 Ca 0.03 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 1wnb n GLY 90 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wnb n LYS 91 N -1.05 2.28 -1.67 1.61 5.02 -1.24 -4.13 118.16 118.98 1wnb n LYS 91 Ca -0.10 0.81 -0.46 0.00 -2.02 0.00 0.00 58.31 56.53 1wnb n LYS 91 Cb 0.55 -2.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.03 1wnb n LYS 91 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1wnb n PRO 92 N 1.69 2.17 -0.27 1.97 -0.02 -1.26 -4.56 135.00 134.72 1wnb n PRO 92 Ca 0.09 0.79 0.03 0.00 -2.02 0.00 0.00 63.50 62.39 1wnb n PRO 92 Cb 0.34 -2.58 0.17 0.00 -0.02 0.00 0.00 33.50 31.41 1wnb n PRO 92 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1wnb h LEU 93 N 6.80 0.54 -1.19 2.45 5.85 -1.11 -0.91 115.31 127.74 1wnb h LEU 93 Ca -0.46 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.29 1wnb h LEU 93 Cb 1.26 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.23 1wnb h LEU 93 CO 0.90 0.29 0.13 1.12 -0.34 0.00 0.00 178.44 180.55 1wnb h HIS 94 N 0.67 0.70 -0.06 1.25 2.07 -1.88 0.10 115.15 118.00 1wnb h HIS 94 Ca 0.39 -0.05 -0.01 0.00 -2.85 0.00 0.00 60.37 57.85 1wnb h HIS 94 Cb 0.43 -0.21 -0.00 0.00 2.57 0.00 0.00 27.41 30.20 1wnb h HIS 94 CO -0.09 0.59 -0.00 0.77 -3.07 0.00 0.00 177.93 176.12 1wnb h SER 95 N 0.68 0.11 -0.01 3.10 0.02 -1.57 0.50 113.55 116.37 1wnb h SER 95 Ca 0.16 -0.33 0.01 0.00 -0.84 0.00 0.00 61.79 60.79 1wnb h SER 95 Cb 0.23 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 1wnb h SER 95 CO -0.01 0.41 -0.06 0.00 -1.14 0.00 0.00 176.83 176.04 1wnb h ALA 96 N 0.70 -0.05 -0.20 3.77 0.00 -0.72 0.26 119.26 123.01 1wnb h ALA 96 Ca 0.02 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1wnb h ALA 96 Cb 0.36 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1wnb h ALA 96 CO 0.00 -0.55 0.02 0.35 0.00 0.00 0.00 179.25 179.08 1wnb h PHE 97 N -0.10 0.37 0.00 0.00 3.57 -0.80 -2.18 116.94 117.80 1wnb h PHE 97 Ca 0.03 -0.06 -0.23 0.00 3.53 0.00 0.00 57.97 61.24 1wnb h PHE 97 Cb 0.14 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.74 1wnb h PHE 97 CO -0.14 0.50 -1.20 -0.91 -2.23 0.00 0.00 178.31 174.33 1wnb h ASN 98 N 0.13 0.00 0.00 0.41 2.35 -0.84 -3.35 115.58 114.27 1wnb h ASN 98 Ca 0.06 -0.00 -0.43 0.00 -0.55 0.00 0.00 56.30 55.38 1wnb h ASN 98 Cb 0.34 -0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.65 1wnb h ASN 98 CO 0.01 1.00 -2.43 0.47 -1.65 0.00 0.00 177.43 174.83 1wnb n ASP 99 N -3.26 1.82 -0.02 5.81 8.00 0.07 -4.64 116.55 124.32 1wnb n ASP 99 Ca -0.05 0.29 -0.18 0.00 0.71 0.00 0.00 54.79 55.56 1wnb n ASP 99 Cb 0.97 -0.73 -0.13 0.00 -0.02 0.00 0.00 41.12 41.21 1wnb n ASP 99 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1wnb h GLU 100 N -0.86 0.14 0.37 -1.24 5.08 -1.37 -3.28 114.58 113.41 1wnb h GLU 100 Ca -0.65 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 57.48 1wnb h GLU 100 Cb 1.58 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.90 1wnb h GLU 100 CO -0.38 1.11 -0.35 0.82 -1.00 0.00 0.00 179.01 179.22 1wnb h ILE 101 N -0.68 0.28 -1.01 3.13 1.08 -1.56 -0.48 117.51 118.27 1wnb h ILE 101 Ca -0.13 0.00 0.24 0.00 -0.39 0.00 0.00 64.86 64.57 1wnb h ILE 101 Cb 1.37 0.28 -0.11 0.00 -3.07 0.00 0.00 36.82 35.29 1wnb h ILE 101 CO 0.04 0.00 0.62 -0.65 -0.69 0.00 0.00 178.15 177.47 1wnb h PRO 102 N -0.74 0.55 -0.49 2.37 0.11 -1.76 -1.44 132.00 130.60 1wnb h PRO 102 Ca -0.03 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.98 1wnb h PRO 102 Cb 0.66 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.63 1wnb h PRO 102 CO -0.05 0.36 0.01 0.00 -0.21 0.00 0.00 178.00 178.12 1wnb h ALA 103 N 1.67 0.65 -0.82 -0.75 0.00 -1.30 -2.16 119.26 116.56 1wnb h ALA 103 Ca 0.60 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 1wnb h ALA 103 Cb 1.22 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1wnb h ALA 103 CO -0.38 0.45 0.36 0.82 0.00 0.00 0.00 179.25 180.50 1wnb h ILE 104 N 0.71 1.26 -0.59 0.00 2.04 -0.08 0.47 117.51 121.32 1wnb h ILE 104 Ca 0.14 -0.76 -0.10 0.00 1.00 0.00 0.00 64.86 65.13 1wnb h ILE 104 Cb 0.49 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 1wnb h ILE 104 CO 0.02 0.32 -0.04 0.58 0.00 0.00 0.00 178.15 179.04 1wnb h VAL 105 N 1.17 1.27 -0.31 1.67 2.07 -1.26 -3.01 116.25 117.84 1wnb h VAL 105 Ca 0.28 -1.20 -0.17 0.00 0.82 0.00 0.00 66.70 66.44 1wnb h VAL 105 Cb 0.16 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1wnb h VAL 105 CO -0.03 0.43 -0.47 -0.78 0.02 0.00 0.00 177.57 176.74 1wnb h ASP 106 N 0.96 0.90 -0.67 0.57 1.82 -0.90 -1.92 116.42 117.18 1wnb h ASP 106 Ca 0.16 -0.45 0.14 0.00 -0.39 0.00 0.00 57.03 56.50 1wnb h ASP 106 Cb 0.60 -0.26 -0.10 0.00 0.68 0.00 0.00 39.33 40.25 1wnb h ASP 106 CO 0.04 1.22 0.11 0.58 -1.61 0.00 0.00 179.24 179.58 1wnb h VAL 107 N 0.66 0.53 -0.38 2.25 2.07 -0.82 0.23 116.25 120.78 1wnb h VAL 107 Ca 0.04 -0.07 -0.10 0.00 0.82 0.00 0.00 66.70 67.38 1wnb h VAL 107 Cb 1.05 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1wnb h VAL 107 CO 0.10 0.04 -0.14 -0.26 0.02 0.00 0.00 177.57 177.34 1wnb h PHE 108 N 0.22 0.88 -0.57 1.57 -1.00 -1.31 -1.35 116.94 115.37 1wnb h PHE 108 Ca 0.37 -0.20 -0.09 0.00 2.81 0.00 0.00 57.97 60.85 1wnb h PHE 108 Cb 0.60 -0.21 -0.02 0.00 3.61 0.00 0.00 35.95 39.93 1wnb h PHE 108 CO -0.29 0.93 0.01 0.00 -1.61 0.00 0.00 178.31 177.35 1wnb h ARG 109 N 0.57 0.99 -0.24 1.51 3.08 -0.83 -0.70 114.38 118.75 1wnb h ARG 109 Ca 0.09 -0.29 -0.04 0.00 0.07 0.00 0.00 59.98 59.80 1wnb h ARG 109 Cb 0.67 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 1wnb h ARG 109 CO 0.05 0.96 -0.02 0.35 -1.07 0.00 0.00 179.97 180.24 1wnb h PHE 110 N 0.91 0.49 0.00 3.04 3.57 -0.33 -2.76 116.94 121.86 1wnb h PHE 110 Ca 0.17 -0.09 -0.07 0.00 3.53 0.00 0.00 57.97 61.51 1wnb h PHE 110 Cb 0.52 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 1wnb h PHE 110 CO 0.03 0.64 -0.33 0.74 -2.23 0.00 0.00 178.31 177.16 1wnb h PHE 111 N 0.20 0.00 -1.00 0.41 -1.00 -1.13 -0.43 116.94 113.99 1wnb h PHE 111 Ca 0.07 0.00 0.09 0.00 2.81 0.00 0.00 57.97 60.93 1wnb h PHE 111 Cb 0.46 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 39.94 1wnb h PHE 111 CO 0.04 0.33 0.64 0.00 -1.61 0.00 0.00 178.31 177.71 1wnb h ALA 112 N 1.67 1.43 0.01 2.45 0.00 -0.92 -1.20 119.26 122.70 1wnb h ALA 112 Ca -0.00 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 1wnb h ALA 112 Cb 0.58 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.12 1wnb h ALA 112 CO 0.04 0.36 -0.65 0.78 0.00 0.00 0.00 179.25 179.79 1wnb h GLY 113 N 1.10 0.47 2.00 0.00 0.00 -1.13 -3.20 103.07 102.32 1wnb h GLY 113 Ca 0.45 -0.84 -0.05 0.00 0.00 0.00 0.00 47.33 46.89 1wnb h GLY 113 CO -0.21 0.75 -0.24 0.00 0.00 0.00 0.00 176.54 176.83 1wnb h ALA 114 N 0.31 1.48 -0.68 3.60 0.00 -1.01 -1.98 119.26 120.97 1wnb h ALA 114 Ca -0.08 -0.22 0.20 0.00 0.00 0.00 0.00 54.91 54.80 1wnb h ALA 114 Cb 1.36 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 1wnb h ALA 114 CO 0.13 0.30 0.53 0.00 0.00 0.00 0.00 179.25 180.21 1wnb h ALA 115 N 1.76 2.59 -0.19 0.00 0.00 -1.21 -0.73 119.26 121.48 1wnb h ALA 115 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1wnb h ALA 115 Cb 0.46 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1wnb h ALA 115 CO 0.03 -0.88 0.00 0.54 0.00 0.00 0.00 179.25 178.94 1wnb n ARG 116 N -4.18 2.33 -1.31 0.00 1.74 -0.75 -4.57 116.66 109.93 1wnb n ARG 116 Ca 0.14 -2.05 -0.04 0.00 -0.77 0.00 0.00 57.85 55.12 1wnb n ARG 116 Cb 0.79 -1.47 0.12 0.00 -1.02 0.00 0.00 32.46 30.87 1wnb n ARG 116 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wnb s LEU 118 N -2.99 4.54 0.76 0.00 1.43 -1.26 -5.03 118.68 116.13 1wnb s LEU 118 Ca 0.41 1.75 -0.05 0.00 -1.03 0.00 0.00 54.13 55.20 1wnb s LEU 118 Cb 0.38 -3.48 0.12 0.00 0.03 0.00 0.00 46.19 43.24 1wnb s LEU 118 CO -0.05 0.05 1.05 0.20 0.23 0.00 0.00 176.35 177.83 1wnb s ASN 119 N -0.48 4.25 0.00 2.29 0.01 -1.26 -5.09 114.94 114.66 1wnb s ASN 119 Ca 0.42 -0.03 0.00 0.00 -0.71 0.00 0.00 52.86 52.54 1wnb s ASN 119 Cb -0.23 -0.37 0.00 0.00 0.41 0.00 0.00 41.25 41.06 1wnb s ASN 119 CO 0.29 -1.94 0.00 0.61 -1.51 0.00 0.00 177.10 174.55 1wnb n GLY 120 N -3.01 2.32 3.67 0.66 0.00 -1.26 -4.94 105.19 102.63 1wnb n GLY 120 Ca 0.13 -0.79 -0.28 0.00 0.00 0.00 0.00 46.02 45.08 1wnb n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wnb s LEU 121 N 0.00 3.36 0.33 0.99 1.43 -1.26 -5.10 118.68 118.43 1wnb s LEU 121 Ca 0.00 -0.32 -0.29 0.00 -1.03 0.00 0.00 54.13 52.49 1wnb s LEU 121 Cb 0.00 -2.04 -0.11 0.00 0.03 0.00 0.00 46.19 44.07 1wnb s LEU 121 CO 0.00 0.12 1.54 0.00 0.23 0.00 0.00 176.35 178.23 1wnb s ALA 122 N -1.58 3.66 0.41 4.21 0.00 -1.26 -4.55 121.76 122.65 1wnb s ALA 122 Ca 0.27 1.56 -0.14 0.00 0.00 0.00 0.00 51.96 53.64 1wnb s ALA 122 Cb -0.10 -3.63 -0.08 0.00 0.00 0.00 0.00 23.12 19.31 1wnb s ALA 122 CO 0.18 -1.00 0.83 0.00 0.00 0.00 0.00 175.76 175.77 1wnb s ALA 123 N -0.52 3.24 0.00 0.00 0.00 -1.26 -4.90 121.76 118.32 1wnb s ALA 123 Ca 0.58 0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.57 1wnb s ALA 123 Cb -0.47 -2.87 0.00 0.00 0.00 0.00 0.00 23.12 19.78 1wnb s ALA 123 CO 0.55 0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.77 1wnb n GLY 124 N -1.02 -1.84 3.25 0.00 0.00 -0.75 -5.00 105.19 99.84 1wnb n GLY 124 Ca 0.04 -1.18 -0.43 0.00 0.00 0.00 0.00 46.02 44.46 1wnb n GLY 124 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wnb s GLU 125 N -1.72 3.60 0.43 1.61 8.01 -1.26 -0.88 118.70 128.49 1wnb s GLU 125 Ca 0.00 -2.91 0.23 0.00 0.01 0.00 0.00 54.97 52.30 1wnb s GLU 125 Cb 0.00 -4.28 0.86 0.00 -4.31 0.00 0.00 34.13 26.40 1wnb s GLU 125 CO 0.00 -1.25 1.80 1.88 0.01 0.00 0.00 175.26 177.70 1wnb h TYR 126 N 6.92 0.00 -3.48 1.61 -1.99 -1.93 -3.41 116.97 114.69 1wnb h TYR 126 Ca 0.13 0.00 -0.67 0.00 2.00 0.00 0.00 58.73 60.18 1wnb h TYR 126 Cb 0.92 0.00 -0.33 0.00 2.00 0.00 0.00 36.73 39.33 1wnb h TYR 126 CO 0.83 0.24 -0.88 -1.17 -0.00 0.00 0.00 178.16 177.19 1wnb s LEU 127 N -6.78 2.07 0.11 3.88 2.96 -1.26 -5.10 118.68 114.55 1wnb s LEU 127 Ca 0.01 -0.54 -0.35 0.00 -0.22 0.00 0.00 54.13 53.03 1wnb s LEU 127 Cb 0.10 -1.37 -0.18 0.00 0.50 0.00 0.00 46.19 45.24 1wnb s LEU 127 CO 0.64 0.17 1.06 -0.62 -1.32 0.00 0.00 176.35 176.28 1wnb n GLU 128 N 3.42 0.58 -1.26 1.98 4.71 -1.26 -1.76 120.64 127.05 1wnb n GLU 128 Ca -0.19 0.21 -0.09 0.00 -0.01 0.00 0.00 57.16 57.08 1wnb n GLU 128 Cb 0.53 -1.65 -0.04 0.00 -1.01 0.00 0.00 31.44 29.27 1wnb n GLU 128 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1wnb n GLY 129 N 1.91 1.05 2.80 0.62 0.00 -1.26 -5.01 105.19 105.29 1wnb n GLY 129 Ca 0.18 -0.41 -0.16 0.00 0.00 0.00 0.00 46.02 45.63 1wnb n GLY 129 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1wnb s HIS 130 N -2.23 0.18 -0.30 1.61 3.76 -0.72 -0.99 115.29 116.60 1wnb s HIS 130 Ca 0.00 0.06 -0.16 0.00 -0.15 0.00 0.00 55.06 54.81 1wnb s HIS 130 Cb 0.00 -0.33 -0.02 0.00 1.11 0.00 0.00 32.58 33.34 1wnb s HIS 130 CO 0.00 -0.11 0.43 0.99 -0.85 0.00 0.00 174.74 175.20 1wnb s THR 131 N 1.03 5.12 -0.14 1.30 2.01 0.34 -4.04 115.64 121.26 1wnb s THR 131 Ca -0.10 0.48 -0.07 0.00 0.31 0.00 0.00 61.69 62.31 1wnb s THR 131 Cb -0.13 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 1wnb s THR 131 CO -0.02 0.01 0.12 -0.44 -0.69 0.00 0.00 174.62 173.59 1wnb s SER 132 N 1.67 6.17 0.05 3.53 0.01 -0.06 -0.35 113.70 124.73 1wnb s SER 132 Ca 0.16 0.36 0.01 0.00 1.31 0.00 0.00 55.95 57.80 1wnb s SER 132 Cb -0.16 -2.00 -0.03 0.00 0.21 0.00 0.00 66.02 64.04 1wnb s SER 132 CO 0.11 0.35 -0.06 0.00 0.41 0.00 0.00 173.24 174.05 1wnb s MET 133 N -0.66 0.57 -0.13 12.44 0.23 -0.46 -1.81 119.30 129.49 1wnb s MET 133 Ca 0.13 -0.94 0.00 0.00 -1.03 0.00 0.00 55.69 53.85 1wnb s MET 133 Cb -0.12 -0.12 -0.02 0.00 -1.53 0.00 0.00 34.83 33.05 1wnb s MET 133 CO 0.02 -0.01 -0.13 0.42 -2.03 0.00 0.00 175.02 173.29 1wnb s ILE 134 N -2.32 3.05 0.37 3.16 -1.09 -1.26 -1.58 121.20 121.54 1wnb s ILE 134 Ca -0.03 -0.67 0.08 0.00 -2.23 0.00 0.00 60.65 57.80 1wnb s ILE 134 Cb -0.04 -2.27 -0.04 0.00 -1.58 0.00 0.00 42.46 38.53 1wnb s ILE 134 CO -0.03 0.53 0.22 -0.13 -1.23 0.00 0.00 174.94 174.30 1wnb s ARG 135 N 0.29 2.43 -0.32 2.79 0.52 -0.41 -4.75 118.95 119.49 1wnb s ARG 135 Ca -0.10 -1.57 0.03 0.00 -0.52 0.00 0.00 55.73 53.57 1wnb s ARG 135 Cb -0.16 -2.22 0.10 0.00 0.52 0.00 0.00 34.95 33.19 1wnb s ARG 135 CO 0.05 -0.00 0.05 1.03 0.02 0.00 0.00 175.30 176.45 1wnb s ARG 136 N -3.94 1.36 0.23 3.54 0.52 -1.26 -1.30 118.95 118.10 1wnb s ARG 136 Ca 0.41 -1.62 0.01 0.00 -0.52 0.00 0.00 55.73 54.01 1wnb s ARG 136 Cb -0.02 -2.89 -0.04 0.00 0.52 0.00 0.00 34.95 32.53 1wnb s ARG 136 CO 0.24 -0.91 0.40 -0.51 0.02 0.00 0.00 175.30 174.54 1wnb s ASP 137 N 1.10 6.36 0.70 0.23 1.01 -0.53 -4.84 116.67 120.70 1wnb s ASP 137 Ca 0.09 0.33 -0.11 0.00 0.71 0.00 0.00 52.55 53.56 1wnb s ASP 137 Cb -0.19 -1.98 0.01 0.00 1.01 0.00 0.00 42.92 41.78 1wnb s ASP 137 CO -0.12 -0.08 1.08 -2.16 0.21 0.00 0.00 175.17 174.11 1wnb s PRO 138 N -3.58 2.91 0.04 8.23 0.04 -1.26 0.61 135.00 142.00 1wnb s PRO 138 Ca 0.38 0.58 0.07 0.00 0.04 0.00 0.00 61.00 62.06 1wnb s PRO 138 Cb -0.10 -2.02 -0.23 0.00 0.04 0.00 0.00 34.50 32.19 1wnb s PRO 138 CO 0.30 -1.02 0.99 -0.07 0.04 0.00 0.00 177.00 177.24 1wnb h LEU 139 N -0.65 0.06 0.00 -3.56 3.38 -1.89 -3.43 115.31 109.23 1wnb h LEU 139 Ca -0.45 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1wnb h LEU 139 Cb 1.24 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1wnb h LEU 139 CO 0.62 1.07 0.00 0.61 0.09 0.00 0.00 178.44 180.84 1wnb n GLY 140 N 1.47 0.56 3.76 0.83 0.00 -1.26 -4.85 105.19 105.71 1wnb n GLY 140 Ca -0.09 -0.83 -0.35 0.00 0.00 0.00 0.00 46.02 44.74 1wnb n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wnb s VAL 141 N 0.00 5.43 -0.14 1.61 1.01 -1.26 -1.63 120.40 125.42 1wnb s VAL 141 Ca 0.00 0.21 -0.03 0.00 0.00 0.00 0.00 61.98 62.16 1wnb s VAL 141 Cb 0.00 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 1wnb s VAL 141 CO 0.00 0.48 -0.04 -0.69 0.00 0.00 0.00 175.10 174.85 1wnb s VAL 142 N 0.06 3.91 -0.25 2.92 1.01 -0.40 -0.82 120.40 126.83 1wnb s VAL 142 Ca 0.10 -0.36 -0.16 0.00 0.00 0.00 0.00 61.98 61.55 1wnb s VAL 142 Cb -0.11 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 1wnb s VAL 142 CO -0.01 0.52 0.44 0.00 0.00 0.00 0.00 175.10 176.05 1wnb s ALA 143 N 0.11 3.57 -0.12 5.51 0.00 0.73 -1.81 121.76 129.75 1wnb s ALA 143 Ca -0.01 -0.66 0.01 0.00 0.00 0.00 0.00 51.96 51.30 1wnb s ALA 143 Cb -0.14 -2.77 -0.01 0.00 0.00 0.00 0.00 23.12 20.21 1wnb s ALA 143 CO 0.03 -0.61 -0.16 -1.12 0.00 0.00 0.00 175.76 173.90 1wnb s SER 144 N 1.47 3.78 -0.22 0.00 0.01 -0.49 0.12 113.70 118.36 1wnb s SER 144 Ca 0.18 -0.39 0.02 0.00 1.31 0.00 0.00 55.95 57.07 1wnb s SER 144 Cb -0.15 -1.56 0.05 0.00 0.21 0.00 0.00 66.02 64.56 1wnb s SER 144 CO 0.09 0.16 -0.11 -0.63 0.41 0.00 0.00 173.24 173.17 1wnb s ILE 145 N 0.36 1.85 0.04 1.44 -1.09 -0.53 -0.59 121.20 122.68 1wnb s ILE 145 Ca -0.13 -1.25 0.00 0.00 -2.23 0.00 0.00 60.65 57.05 1wnb s ILE 145 Cb -0.16 -1.93 -0.04 0.00 -1.58 0.00 0.00 42.46 38.74 1wnb s ILE 145 CO 0.06 0.10 0.14 0.00 -1.23 0.00 0.00 174.94 174.01 1wnb s ALA 146 N 1.29 3.79 0.78 9.38 0.00 -0.73 -2.69 121.76 133.57 1wnb s ALA 146 Ca -0.04 -0.88 -0.05 0.00 0.00 0.00 0.00 51.96 50.99 1wnb s ALA 146 Cb -0.18 -1.68 0.14 0.00 0.00 0.00 0.00 23.12 21.41 1wnb s ALA 146 CO -0.07 0.76 1.08 -1.25 0.00 0.00 0.00 175.76 176.28 1wnb s PRO 147 N -2.20 1.44 0.01 0.00 0.04 -1.22 -1.81 135.00 131.27 1wnb s PRO 147 Ca 0.29 -0.87 0.24 0.00 0.04 0.00 0.00 61.00 60.71 1wnb s PRO 147 Cb -0.12 -2.19 0.35 0.00 0.04 0.00 0.00 34.50 32.57 1wnb s PRO 147 CO 0.21 -1.68 1.30 -2.67 0.04 0.00 0.00 177.00 174.20 1wnb n TRP 148 N -3.08 0.05 0.04 0.56 4.27 -1.26 -4.19 117.44 113.83 1wnb n TRP 148 Ca 0.14 0.01 -0.05 0.00 -3.89 0.00 0.00 57.50 53.72 1wnb n TRP 148 Cb 0.60 -0.25 -0.10 0.00 -1.36 0.00 0.00 31.31 30.21 1wnb n TRP 148 CO 0.00 0.00 0.00 -2.95 -2.29 0.00 0.00 177.69 172.45 1wnb h ASN 149 N 0.00 0.00 -2.05 -0.67 -1.07 -1.97 -3.38 115.58 106.45 1wnb h ASN 149 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 56.30 55.81 1wnb h ASN 149 Cb 0.53 0.00 -0.39 0.00 -2.07 0.00 0.00 38.32 36.39 1wnb h ASN 149 CO 0.00 0.87 -1.08 -1.22 0.07 0.00 0.00 177.43 176.06 1wnb n TYR 150 N -3.18 -0.34 -0.02 4.14 4.01 -1.26 -5.04 117.16 115.48 1wnb n TYR 150 Ca -0.06 -3.55 -0.09 0.00 -0.16 0.00 0.00 57.90 54.04 1wnb n TYR 150 Cb 0.93 -0.29 -0.03 0.00 -0.31 0.00 0.00 39.34 39.64 1wnb n TYR 150 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1wnb h PRO 151 N 4.18 -0.29 0.06 -0.72 0.11 -1.74 0.43 132.00 134.02 1wnb h PRO 151 Ca 0.09 0.02 -0.20 0.00 0.11 0.00 0.00 66.00 66.02 1wnb h PRO 151 Cb 0.88 0.07 0.02 0.00 0.11 0.00 0.00 31.00 32.07 1wnb h PRO 151 CO 0.46 -0.20 -0.83 1.25 -0.21 0.00 0.00 178.00 178.48 1wnb h LEU 152 N -0.30 0.63 -0.72 2.35 6.46 -1.92 -2.75 115.31 119.06 1wnb h LEU 152 Ca 0.11 -0.81 0.06 0.00 -0.12 0.00 0.00 57.88 57.12 1wnb h LEU 152 Cb 0.48 -0.20 -0.06 0.00 -0.73 0.00 0.00 40.66 40.15 1wnb h LEU 152 CO -0.35 1.37 0.41 -0.03 -0.62 0.00 0.00 178.44 179.22 1wnb h MET 153 N -0.03 0.72 -0.54 1.25 4.05 -1.92 -1.07 114.93 117.39 1wnb h MET 153 Ca -0.12 -0.04 -0.09 0.00 -0.28 0.00 0.00 59.70 59.17 1wnb h MET 153 Cb 1.55 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 32.17 1wnb h MET 153 CO 0.16 0.48 -0.02 0.52 0.23 0.00 0.00 176.91 178.28 1wnb h MET 154 N 0.74 0.96 -0.43 0.39 2.86 -0.95 -0.72 114.93 117.78 1wnb h MET 154 Ca 0.32 -0.31 0.09 0.00 -2.06 0.00 0.00 59.70 57.74 1wnb h MET 154 Cb 0.20 -0.08 -0.09 0.00 0.06 0.00 0.00 31.60 31.70 1wnb h MET 154 CO -0.19 0.98 -0.13 0.00 1.06 0.00 0.00 176.91 178.63 1wnb h ALA 155 N 0.95 0.25 -0.21 6.32 0.00 -1.24 -0.47 119.26 124.85 1wnb h ALA 155 Ca 0.15 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 1wnb h ALA 155 Cb 0.55 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1wnb h ALA 155 CO 0.03 -0.47 0.13 0.00 0.00 0.00 0.00 179.25 178.94 1wnb h ALA 156 N 1.38 0.27 -0.01 0.00 0.00 -0.94 -0.51 119.26 119.44 1wnb h ALA 156 Ca 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1wnb h ALA 156 Cb 0.35 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1wnb h ALA 156 CO -0.46 -0.23 0.01 -1.49 0.00 0.00 0.00 179.25 177.07 1wnb h TRP 157 N 0.26 0.00 0.07 0.00 4.06 -0.57 -1.68 115.95 118.08 1wnb h TRP 157 Ca 0.08 0.00 -0.36 0.00 2.06 0.00 0.00 58.89 60.67 1wnb h TRP 157 Cb 0.01 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.14 1wnb h TRP 157 CO -0.05 0.00 -2.03 1.63 -3.56 0.00 0.00 178.44 174.43 1wnb n LYS 158 N -3.89 0.69 0.17 0.49 5.02 -0.24 -4.45 118.16 115.96 1wnb n LYS 158 Ca -0.03 0.29 -0.14 0.00 -2.02 0.00 0.00 58.31 56.41 1wnb n LYS 158 Cb 0.09 -1.66 -0.08 0.00 -0.02 0.00 0.00 35.03 33.36 1wnb n LYS 158 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1wnb h LEU 159 N -0.21 -0.36 0.17 -0.35 3.38 -1.06 -3.21 115.31 113.67 1wnb h LEU 159 Ca -0.47 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.37 1wnb h LEU 159 Cb 1.85 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.68 1wnb h LEU 159 CO -0.04 -0.06 -0.16 0.00 0.09 0.00 0.00 178.44 178.26 1wnb h ALA 160 N -0.09 -0.33 0.00 1.53 0.00 -1.54 -0.89 119.26 117.94 1wnb h ALA 160 Ca -0.04 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1wnb h ALA 160 Cb 0.47 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1wnb h ALA 160 CO 0.07 -0.71 -0.42 -1.00 0.00 0.00 0.00 179.25 177.19 1wnb h PRO 161 N -0.36 0.00 -0.03 0.00 0.13 -1.78 -1.67 132.00 128.30 1wnb h PRO 161 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 1wnb h PRO 161 Cb 0.34 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.47 1wnb h PRO 161 CO -0.04 0.42 -0.01 0.00 -0.23 0.00 0.00 178.00 178.14 1wnb h ALA 162 N 1.58 0.04 -0.77 -0.56 0.00 -1.42 -2.45 119.26 115.67 1wnb h ALA 162 Ca -0.00 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.74 1wnb h ALA 162 Cb 0.93 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 1wnb h ALA 162 CO 0.05 -0.24 0.51 -0.07 0.00 0.00 0.00 179.25 179.50 1wnb h LEU 163 N -0.34 0.77 -0.86 0.00 3.38 -1.21 -2.30 115.31 114.74 1wnb h LEU 163 Ca 0.01 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 1wnb h LEU 163 Cb 0.43 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1wnb h LEU 163 CO 0.00 0.51 -0.31 0.00 0.09 0.00 0.00 178.44 178.73 1wnb h ALA 164 N 1.57 1.03 -0.00 1.53 0.00 -1.15 -1.28 119.26 120.96 1wnb h ALA 164 Ca 0.32 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1wnb h ALA 164 Cb 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1wnb h ALA 164 CO -0.10 0.59 -0.03 0.00 0.00 0.00 0.00 179.25 179.70 1wnb n ALA 165 N -2.49 2.54 -0.49 0.00 0.00 -0.94 -4.80 120.51 114.34 1wnb n ALA 165 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1wnb n ALA 165 Cb 0.44 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.44 1wnb n ALA 165 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wnb n GLY 166 N 1.32 0.72 3.91 0.00 0.00 -0.48 -4.01 105.19 106.64 1wnb n GLY 166 Ca 0.13 -0.34 -0.27 0.00 0.00 0.00 0.00 46.02 45.54 1wnb n GLY 166 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wnb s ASN 167 N -2.31 6.28 0.09 1.61 -0.87 -0.88 -3.89 114.94 114.97 1wnb s ASN 167 Ca 0.00 0.89 0.01 0.00 -1.57 0.00 0.00 52.86 52.19 1wnb s ASN 167 Cb 0.00 -2.23 -0.04 0.00 -0.02 0.00 0.00 41.25 38.96 1wnb s ASN 167 CO 0.00 -0.54 0.23 0.00 -2.57 0.00 0.00 177.10 174.21 1wnb s VAL 169 N -1.57 0.98 -0.26 0.00 1.01 0.10 -1.27 120.40 119.39 1wnb s VAL 169 Ca 0.35 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.83 1wnb s VAL 169 Cb -0.12 -0.83 0.05 0.00 0.00 0.00 0.00 36.38 35.48 1wnb s VAL 169 CO 0.28 0.28 -0.10 -0.69 0.00 0.00 0.00 175.10 174.87 1wnb s VAL 170 N -0.17 2.30 -0.21 2.92 1.01 -0.75 -0.74 120.40 124.76 1wnb s VAL 170 Ca 0.03 -1.53 -0.07 0.00 0.00 0.00 0.00 61.98 60.40 1wnb s VAL 170 Cb -0.06 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 1wnb s VAL 170 CO -0.00 0.01 0.07 -0.22 0.00 0.00 0.00 175.10 174.96 1wnb s LEU 171 N 1.14 3.65 -0.32 3.92 2.96 0.90 -1.40 118.68 129.54 1wnb s LEU 171 Ca -0.07 -0.05 -0.05 0.00 -0.22 0.00 0.00 54.13 53.74 1wnb s LEU 171 Cb -0.19 -1.95 0.04 0.00 0.50 0.00 0.00 46.19 44.59 1wnb s LEU 171 CO -0.05 0.07 0.06 -0.75 -1.32 0.00 0.00 176.35 174.36 1wnb s LYS 172 N 0.98 2.59 0.86 1.98 2.20 0.24 -0.53 119.74 128.04 1wnb s LYS 172 Ca 0.04 -1.18 -0.12 0.00 -0.36 0.00 0.00 55.97 54.35 1wnb s LYS 172 Cb -0.14 -3.34 0.10 0.00 -1.51 0.00 0.00 37.83 32.94 1wnb s LYS 172 CO 0.03 -0.63 1.13 -1.25 -0.36 0.00 0.00 175.35 174.27 1wnb s PRO 173 N 1.36 1.60 0.59 4.03 0.05 -1.26 -1.77 135.00 139.59 1wnb s PRO 173 Ca -0.03 0.40 -0.20 0.00 0.05 0.00 0.00 61.00 61.22 1wnb s PRO 173 Cb -0.19 -1.88 -0.03 0.00 0.05 0.00 0.00 34.50 32.44 1wnb s PRO 173 CO 0.01 -1.90 1.32 0.45 0.05 0.00 0.00 177.00 176.92 1wnb s SER 174 N -4.05 5.00 0.39 6.66 0.15 -0.75 -4.59 113.70 116.52 1wnb s SER 174 Ca 0.62 2.67 0.26 0.00 0.70 0.00 0.00 55.95 60.20 1wnb s SER 174 Cb -0.14 -2.62 0.71 0.00 -1.71 0.00 0.00 66.02 62.26 1wnb s SER 174 CO 0.53 -1.74 1.73 1.05 1.20 0.00 0.00 173.24 176.01 1wnb h GLU 175 N 1.05 0.00 -0.19 5.44 9.09 -1.91 -2.71 114.58 125.35 1wnb h GLU 175 Ca -0.51 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 58.77 1wnb h GLU 175 Cb 1.31 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.40 1wnb h GLU 175 CO 0.55 0.00 -0.45 0.82 0.05 0.00 0.00 179.01 179.99 1wnb h ILE 176 N 0.00 1.31 -2.04 -1.06 1.08 -1.91 -3.41 117.51 111.48 1wnb h ILE 176 Ca 0.00 -1.64 -0.56 0.00 -0.39 0.00 0.00 64.86 62.28 1wnb h ILE 176 Cb 0.78 1.65 -0.40 0.00 -3.07 0.00 0.00 36.82 35.79 1wnb h ILE 176 CO 0.00 0.51 -1.03 0.35 -0.69 0.00 0.00 178.15 177.29 1wnb n THR 177 N -4.00 -0.05 1.06 -0.27 -2.24 -1.03 -4.60 114.28 103.16 1wnb n THR 177 Ca -0.02 -4.32 0.11 0.00 -2.27 0.00 0.00 64.05 57.55 1wnb n THR 177 Cb 0.53 -1.72 0.11 0.00 -2.10 0.00 0.00 70.33 67.16 1wnb n THR 177 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1wnb n PRO 178 N 1.11 0.50 -0.19 -0.78 -0.04 -1.18 -4.43 135.00 129.98 1wnb n PRO 178 Ca 0.23 -0.37 -0.08 0.00 -0.04 0.00 0.00 63.50 63.25 1wnb n PRO 178 Cb 0.53 -1.49 0.02 0.00 -0.04 0.00 0.00 33.50 32.52 1wnb n PRO 178 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1wnb h LEU 179 N 0.89 0.73 -0.28 1.53 3.38 -1.91 0.73 115.31 120.39 1wnb h LEU 179 Ca 0.00 -0.14 -0.18 0.00 0.09 0.00 0.00 57.88 57.65 1wnb h LEU 179 Cb 0.57 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1wnb h LEU 179 CO 0.00 0.67 -0.86 0.71 0.09 0.00 0.00 178.44 179.05 1wnb h THR 180 N 0.75 1.62 -0.70 0.22 1.35 -1.88 -1.33 112.91 112.93 1wnb h THR 180 Ca 0.19 -2.95 -0.05 0.00 -0.55 0.00 0.00 66.41 63.05 1wnb h THR 180 Cb 0.14 2.59 -0.03 0.00 -1.73 0.00 0.00 68.15 69.12 1wnb h THR 180 CO -0.02 0.84 0.23 0.00 -0.25 0.00 0.00 175.52 176.32 1wnb h ALA 181 N 1.13 0.92 0.00 6.62 0.00 -1.71 -0.56 119.26 125.66 1wnb h ALA 181 Ca -0.01 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 1wnb h ALA 181 Cb 1.52 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1wnb h ALA 181 CO 0.11 0.59 -0.46 -0.07 0.00 0.00 0.00 179.25 179.42 1wnb h LEU 182 N 1.03 0.00 -0.47 0.00 3.38 -0.74 -0.48 115.31 118.03 1wnb h LEU 182 Ca 0.23 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.03 1wnb h LEU 182 Cb 0.28 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1wnb h LEU 182 CO -0.01 0.46 -0.51 0.50 0.09 0.00 0.00 178.44 178.96 1wnb h LYS 183 N 0.00 0.68 -0.40 1.13 1.63 -1.13 -2.91 116.57 115.57 1wnb h LYS 183 Ca -0.00 -0.41 -0.01 0.00 -0.85 0.00 0.00 60.65 59.37 1wnb h LYS 183 Cb 1.02 0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.67 1wnb h LYS 183 CO 0.06 1.03 0.21 1.25 -3.45 0.00 0.00 179.45 178.54 1wnb h LEU 184 N 0.53 0.52 -0.47 5.20 5.85 -0.86 -1.55 115.31 124.54 1wnb h LEU 184 Ca 0.02 -0.11 0.09 0.00 0.84 0.00 0.00 57.88 58.72 1wnb h LEU 184 Cb 1.07 -0.13 -0.10 0.00 0.37 0.00 0.00 40.66 41.87 1wnb h LEU 184 CO 0.10 0.48 -0.24 0.00 -0.34 0.00 0.00 178.44 178.45 1wnb h ALA 185 N 1.06 0.07 -0.22 1.25 0.00 -1.12 0.54 119.26 120.84 1wnb h ALA 185 Ca 0.14 0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.22 1wnb h ALA 185 Cb 0.09 0.58 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1wnb h ALA 185 CO -0.02 -0.59 0.11 1.49 0.00 0.00 0.00 179.25 180.24 1wnb h GLU 186 N -0.14 0.23 -0.14 0.00 4.81 -1.25 -2.63 114.58 115.44 1wnb h GLU 186 Ca 0.22 -0.01 -0.19 0.00 -0.13 0.00 0.00 59.36 59.24 1wnb h GLU 186 Cb 0.48 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.81 1wnb h GLU 186 CO -0.56 0.15 -0.69 -0.07 -0.73 0.00 0.00 179.01 177.11 1wnb h LEU 187 N 0.23 0.69 -0.54 1.64 3.38 -0.75 -3.25 115.31 116.71 1wnb h LEU 187 Ca 0.09 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1wnb h LEU 187 Cb 0.02 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1wnb h LEU 187 CO -0.06 1.18 0.00 0.00 0.09 0.00 0.00 178.44 179.65 1wnb n ALA 188 N -2.55 2.62 -0.31 1.53 0.00 0.18 -4.58 120.51 117.40 1wnb n ALA 188 Ca -0.05 -0.33 0.16 0.00 0.00 0.00 0.00 53.44 53.21 1wnb n ALA 188 Cb 0.69 -1.30 0.34 0.00 0.00 0.00 0.00 19.45 19.18 1wnb n ALA 188 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1wnb h LYS 189 N 1.27 0.33 -0.06 0.00 3.64 -1.50 -2.84 116.57 117.41 1wnb h LYS 189 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1wnb h LYS 189 Cb 0.27 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1wnb h LYS 189 CO 0.00 0.22 0.00 -0.25 -2.27 0.00 0.00 179.45 177.15 1wnb n ASP 190 N -5.09 1.88 -0.07 4.20 8.00 -1.26 -4.58 116.55 119.62 1wnb n ASP 190 Ca 0.24 -1.47 -0.15 0.00 0.71 0.00 0.00 54.79 54.12 1wnb n ASP 190 Cb 0.74 -0.03 -0.05 0.00 -0.02 0.00 0.00 41.12 41.75 1wnb n ASP 190 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1wnb h ILE 191 N 1.59 1.29 -2.52 0.53 2.04 -1.81 -3.45 117.51 115.18 1wnb h ILE 191 Ca 0.00 -1.72 -0.56 0.00 1.00 0.00 0.00 64.86 63.58 1wnb h ILE 191 Cb 0.41 1.71 -0.08 0.00 -0.74 0.00 0.00 36.82 38.12 1wnb h ILE 191 CO 0.00 0.56 -0.59 -0.36 0.00 0.00 0.00 178.15 177.76 1wnb s PHE 192 N -4.08 3.00 0.74 1.37 0.40 -1.26 -4.92 117.98 113.24 1wnb s PHE 192 Ca -0.11 -0.10 -0.15 0.00 -0.60 0.00 0.00 56.93 55.96 1wnb s PHE 192 Cb 0.09 -1.40 0.03 0.00 0.51 0.00 0.00 43.02 42.25 1wnb s PHE 192 CO 0.88 0.53 1.09 -2.30 0.70 0.00 0.00 175.22 176.12 1wnb n PRO 193 N -0.63 0.49 -1.67 0.24 -0.02 -1.26 -4.86 135.00 127.28 1wnb n PRO 193 Ca -0.08 0.23 -0.50 0.00 -2.02 0.00 0.00 63.50 61.12 1wnb n PRO 193 Cb 0.56 -2.34 -0.05 0.00 -0.02 0.00 0.00 33.50 31.65 1wnb n PRO 193 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1wnb n ALA 194 N -2.69 0.50 -0.03 3.55 0.00 -1.26 -2.15 120.51 118.43 1wnb n ALA 194 Ca 0.14 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.96 1wnb n ALA 194 Cb 0.50 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.61 1wnb n ALA 194 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wnb n GLY 195 N 3.82 0.59 0.25 0.00 0.00 -1.26 -4.64 105.19 103.95 1wnb n GLY 195 Ca 0.21 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.14 1wnb n GLY 195 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1wnb h VAL 196 N 0.00 1.28 -3.26 1.61 2.07 -1.72 -3.25 116.25 112.98 1wnb h VAL 196 Ca 0.00 -1.52 -0.53 0.00 0.82 0.00 0.00 66.70 65.47 1wnb h VAL 196 Cb 0.00 1.41 -0.35 0.00 -1.52 0.00 0.00 31.29 30.83 1wnb h VAL 196 CO 0.00 0.50 -0.81 -0.69 0.02 0.00 0.00 177.57 176.58 1wnb s VAL 197 N -4.38 1.14 -0.04 2.57 1.01 -1.26 0.01 120.40 119.46 1wnb s VAL 197 Ca -0.09 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 61.51 1wnb s VAL 197 Cb 0.12 -1.10 0.00 0.00 0.00 0.00 0.00 36.38 35.40 1wnb s VAL 197 CO 0.85 0.38 -0.12 0.20 0.00 0.00 0.00 175.10 176.40 1wnb s ASN 198 N 1.28 1.59 -0.09 3.32 0.01 0.08 -4.60 114.94 116.53 1wnb s ASN 198 Ca -0.03 -0.25 0.01 0.00 -0.71 0.00 0.00 52.86 51.88 1wnb s ASN 198 Cb -0.14 -0.50 0.02 0.00 0.41 0.00 0.00 41.25 41.04 1wnb s ASN 198 CO -0.04 0.08 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.89 1wnb s ILE 199 N 0.25 1.17 0.41 0.60 1.01 -0.11 -0.07 121.20 124.47 1wnb s ILE 199 Ca -0.06 -0.45 0.03 0.00 0.00 0.00 0.00 60.65 60.18 1wnb s ILE 199 Cb -0.11 -1.10 0.03 0.00 0.01 0.00 0.00 42.46 41.29 1wnb s ILE 199 CO 0.02 0.37 0.28 0.18 0.00 0.00 0.00 174.94 175.79 1wnb n LEU 200 N 4.25 0.00 -3.87 2.97 4.77 0.30 -1.51 117.00 123.92 1wnb n LEU 200 Ca -0.19 -2.20 -0.13 0.00 -0.03 0.00 0.00 56.01 53.46 1wnb n LEU 200 Cb 0.51 -0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.46 1wnb n LEU 200 CO 0.22 -0.49 -0.36 0.12 -1.33 0.00 0.00 177.39 175.55 1wnb s PHE 201 N -2.10 0.06 -5.00 -1.77 2.19 -1.26 -4.29 117.98 105.80 1wnb s PHE 201 Ca 0.21 0.00 0.00 0.00 0.33 0.00 0.00 56.93 57.48 1wnb s PHE 201 Cb -0.02 -0.06 0.00 0.00 -1.31 0.00 0.00 43.02 41.63 1wnb s PHE 201 CO 0.14 -0.01 0.00 0.41 1.83 0.00 0.00 175.22 177.58 1wnb n GLY 202 N 3.20 0.57 3.89 13.12 0.00 -1.26 -1.12 105.19 123.59 1wnb n GLY 202 Ca -0.14 -1.83 -0.29 0.00 0.00 0.00 0.00 46.02 43.76 1wnb n GLY 202 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wnb s ARG 203 N -1.65 3.63 0.21 1.61 0.52 -1.26 -4.09 118.95 117.92 1wnb s ARG 203 Ca 0.00 0.41 -0.18 0.00 -0.52 0.00 0.00 55.73 55.45 1wnb s ARG 203 Cb 0.00 -2.31 0.20 0.00 0.52 0.00 0.00 34.95 33.36 1wnb s ARG 203 CO 0.00 -0.24 1.58 0.78 0.02 0.00 0.00 175.30 177.44 1wnb h GLY 204 N 0.40 0.11 1.35 -3.53 0.00 -1.95 -0.51 103.07 98.93 1wnb h GLY 204 Ca -0.46 0.41 -0.13 0.00 0.00 0.00 0.00 47.33 47.14 1wnb h GLY 204 CO 0.62 -0.23 -0.32 0.50 0.00 0.00 0.00 176.54 177.11 1wnb h LYS 205 N -0.09 0.73 0.07 4.80 1.79 -1.94 0.34 116.57 122.27 1wnb h LYS 205 Ca 0.29 -0.34 -0.34 0.00 -2.18 0.00 0.00 60.65 58.08 1wnb h LYS 205 Cb 0.57 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.17 1wnb h LYS 205 CO -0.78 0.95 -1.96 -2.37 -1.08 0.00 0.00 179.45 174.21 1wnb n THR 206 N -4.07 1.68 -0.05 -0.16 5.66 -1.06 -4.25 114.28 112.03 1wnb n THR 206 Ca -0.01 -0.71 -0.07 0.00 -3.05 0.00 0.00 64.05 60.21 1wnb n THR 206 Cb 0.49 -1.41 -0.05 0.00 -1.55 0.00 0.00 70.33 67.81 1wnb n THR 206 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 1wnb n VAL 207 N -3.28 0.60 -0.01 1.08 0.31 -0.24 -4.62 118.33 112.19 1wnb n VAL 207 Ca -0.28 -0.25 -0.13 0.00 -0.01 0.00 0.00 64.34 63.67 1wnb n VAL 207 Cb 1.05 -0.86 -0.09 0.00 -0.91 0.00 0.00 33.84 33.03 1wnb n VAL 207 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1wnb h GLY 208 N 0.93 0.05 0.45 2.92 0.00 -0.67 -2.44 103.07 104.31 1wnb h GLY 208 Ca -0.24 -0.04 0.04 0.00 0.00 0.00 0.00 47.33 47.10 1wnb h GLY 208 CO -0.03 0.04 -0.16 -0.55 0.00 0.00 0.00 176.54 175.84 1wnb h ASP 209 N -0.28 -0.49 0.14 0.19 3.32 -0.59 -0.99 116.42 117.72 1wnb h ASP 209 Ca 0.01 0.09 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 1wnb h ASP 209 Cb 0.35 0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 1wnb h ASP 209 CO 0.00 -0.20 -0.15 1.55 -1.72 0.00 0.00 179.24 178.71 1wnb h PRO 210 N -0.20 0.03 0.33 3.56 0.13 -1.81 -2.02 132.00 132.03 1wnb h PRO 210 Ca 0.10 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.20 1wnb h PRO 210 Cb 0.33 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.46 1wnb h PRO 210 CO -0.25 0.19 -0.16 1.25 -0.23 0.00 0.00 178.00 178.81 1wnb h LEU 211 N 0.03 -0.38 -1.63 1.56 5.85 -1.20 -3.04 115.31 116.51 1wnb h LEU 211 Ca 0.01 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 1wnb h LEU 211 Cb 0.30 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 1wnb h LEU 211 CO 0.02 0.07 -0.00 0.71 -0.34 0.00 0.00 178.44 178.90 1wnb h THR 212 N -0.95 0.01 -0.51 1.05 1.35 -1.16 -2.63 112.91 110.06 1wnb h THR 212 Ca -0.05 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 1wnb h THR 212 Cb 0.51 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 1wnb h THR 212 CO 0.07 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.96 1wnb n GLY 213 N -0.09 1.88 3.73 5.82 0.00 -0.76 -4.84 105.19 110.92 1wnb n GLY 213 Ca 0.00 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 1wnb n GLY 213 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1wnb s HIS 214 N -1.33 3.16 0.58 1.61 5.04 -0.99 -4.92 115.29 118.45 1wnb s HIS 214 Ca 0.42 0.95 0.28 0.00 -1.54 0.00 0.00 55.06 55.17 1wnb s HIS 214 Cb 0.23 -3.75 1.62 0.00 0.04 0.00 0.00 32.58 30.72 1wnb s HIS 214 CO 0.31 -2.58 2.08 -1.35 -2.34 0.00 0.00 174.74 170.87 1wnb h PRO 215 N 6.15 0.00 -0.01 2.88 0.11 -1.93 -2.11 132.00 137.10 1wnb h PRO 215 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1wnb h PRO 215 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1wnb h PRO 215 CO 0.84 0.00 -0.31 1.63 -0.21 0.00 0.00 178.00 179.95 1wnb n LYS 216 N -3.85 0.63 -2.96 1.05 4.76 -1.26 -4.84 118.16 111.70 1wnb n LYS 216 Ca 0.02 -0.37 -0.40 0.00 -2.87 0.00 0.00 58.31 54.69 1wnb n LYS 216 Cb 0.35 -1.49 -0.04 0.00 -1.84 0.00 0.00 35.03 32.01 1wnb n LYS 216 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1wnb s VAL 217 N -2.62 4.99 -0.32 -0.18 1.01 -0.80 -4.19 120.40 118.29 1wnb s VAL 217 Ca 0.21 1.61 0.11 0.00 0.00 0.00 0.00 61.98 63.90 1wnb s VAL 217 Cb 0.19 -4.11 -0.13 0.00 0.00 0.00 0.00 36.38 32.32 1wnb s VAL 217 CO 0.56 0.23 0.37 0.54 0.00 0.00 0.00 175.10 176.81 1wnb n ARG 218 N 3.76 2.36 -3.73 2.72 5.12 0.00 -4.91 116.66 121.99 1wnb n ARG 218 Ca 0.00 -0.04 -0.12 0.00 -1.93 0.00 0.00 57.85 55.77 1wnb n ARG 218 Cb 0.51 -1.09 -0.11 0.00 -1.16 0.00 0.00 32.46 30.61 1wnb n ARG 218 CO 0.00 0.00 0.00 1.41 -1.93 0.00 0.00 177.63 177.11 1wnb s MET 219 N -2.27 0.38 -0.13 5.56 1.75 -1.16 -2.35 119.30 121.08 1wnb s MET 219 Ca 0.01 0.61 -0.00 0.00 -1.25 0.00 0.00 55.69 55.07 1wnb s MET 219 Cb 0.08 0.07 -0.01 0.00 2.84 0.00 0.00 34.83 37.80 1wnb s MET 219 CO 0.44 -0.11 -0.13 0.08 -0.65 0.00 0.00 175.02 174.65 1wnb s VAL 220 N 0.81 3.03 -0.13 10.11 1.01 -0.17 -0.20 120.40 134.86 1wnb s VAL 220 Ca -0.05 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.26 1wnb s VAL 220 Cb -0.06 -2.27 -0.01 0.00 0.00 0.00 0.00 36.38 34.04 1wnb s VAL 220 CO -0.06 0.53 -0.14 -0.55 0.00 0.00 0.00 175.10 174.88 1wnb s SER 221 N 0.33 3.87 -0.01 3.32 0.15 0.12 -1.86 113.70 119.61 1wnb s SER 221 Ca -0.11 -0.38 0.02 0.00 0.70 0.00 0.00 55.95 56.18 1wnb s SER 221 Cb -0.16 -1.59 0.00 0.00 -1.71 0.00 0.00 66.02 62.57 1wnb s SER 221 CO 0.06 0.14 -0.05 -0.22 1.20 0.00 0.00 173.24 174.37 1wnb s LEU 222 N 0.48 1.82 -0.19 3.45 2.96 0.10 -1.45 118.68 125.85 1wnb s LEU 222 Ca -0.10 -0.11 0.00 0.00 -0.22 0.00 0.00 54.13 53.70 1wnb s LEU 222 Cb -0.16 -0.33 0.04 0.00 0.50 0.00 0.00 46.19 46.24 1wnb s LEU 222 CO 0.05 0.04 -0.08 -0.89 -1.32 0.00 0.00 176.35 174.14 1wnb s THR 223 N 0.15 1.40 0.00 3.68 2.01 -1.10 -0.58 115.64 121.21 1wnb s THR 223 Ca -0.01 -0.85 0.00 0.00 0.31 0.00 0.00 61.69 61.13 1wnb s THR 223 Cb -0.06 -1.53 0.00 0.00 0.01 0.00 0.00 72.50 70.92 1wnb s THR 223 CO -0.00 0.14 0.00 0.61 -0.69 0.00 0.00 174.62 174.68 1wnb n GLY 224 N 4.77 1.15 3.88 4.40 0.00 -0.98 -3.44 105.19 114.96 1wnb n GLY 224 Ca -0.13 -0.28 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 1wnb n GLY 224 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wnb s SER 225 N 2.00 6.27 0.34 1.61 1.04 -1.26 -4.02 113.70 119.68 1wnb s SER 225 Ca 0.00 1.33 0.03 0.00 0.48 0.00 0.00 55.95 57.79 1wnb s SER 225 Cb 0.00 -2.43 0.63 0.00 0.10 0.00 0.00 66.02 64.33 1wnb s SER 225 CO 0.00 -0.79 1.97 0.40 0.98 0.00 0.00 173.24 175.81 1wnb h ILE 226 N -0.11 1.10 -0.19 -1.02 2.04 -1.91 -1.22 117.51 116.21 1wnb h ILE 226 Ca -0.45 -0.30 -0.13 0.00 1.00 0.00 0.00 64.86 64.98 1wnb h ILE 226 Cb 1.19 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 1wnb h ILE 226 CO 0.62 0.16 -0.43 0.00 0.00 0.00 0.00 178.15 178.50 1wnb h ALA 227 N 1.58 0.91 -0.45 1.87 0.00 -1.96 0.34 119.26 121.55 1wnb h ALA 227 Ca 0.29 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1wnb h ALA 227 Cb 0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1wnb h ALA 227 CO -0.09 0.64 0.10 1.15 0.00 0.00 0.00 179.25 181.06 1wnb h THR 228 N 0.37 1.24 0.19 0.00 2.02 -1.74 -1.92 112.91 113.06 1wnb h THR 228 Ca 0.03 -0.84 0.01 0.00 0.77 0.00 0.00 66.41 66.38 1wnb h THR 228 Cb 0.91 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 68.22 1wnb h THR 228 CO 0.08 0.30 -0.20 1.23 0.37 0.00 0.00 175.52 177.29 1wnb h GLY 229 N 0.60 -0.43 -0.13 2.16 0.00 -0.74 0.21 103.07 104.73 1wnb h GLY 229 Ca 0.14 0.23 0.11 0.00 0.00 0.00 0.00 47.33 47.81 1wnb h GLY 229 CO 0.00 -0.19 -0.16 -2.09 0.00 0.00 0.00 176.54 174.10 1wnb h GLU 230 N -0.43 -0.03 0.08 4.80 4.81 -0.96 0.03 114.58 122.87 1wnb h GLU 230 Ca 0.00 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1wnb h GLU 230 Cb 0.41 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 1wnb h GLU 230 CO -0.06 -0.02 -0.15 1.25 -0.73 0.00 0.00 179.01 179.30 1wnb h HIS 231 N -0.03 -0.39 -0.43 0.92 2.76 -1.02 -2.37 115.15 114.59 1wnb h HIS 231 Ca 0.26 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.42 1wnb h HIS 231 Cb 0.43 0.16 -0.02 0.00 1.55 0.00 0.00 27.41 29.53 1wnb h HIS 231 CO -0.48 -0.22 0.22 0.82 -1.30 0.00 0.00 177.93 176.97 1wnb h ILE 232 N -0.29 1.17 -0.10 6.26 2.04 -0.59 0.02 117.51 126.02 1wnb h ILE 232 Ca 0.03 -0.47 0.04 0.00 1.00 0.00 0.00 64.86 65.46 1wnb h ILE 232 Cb 0.31 0.69 -0.05 0.00 -0.74 0.00 0.00 36.82 37.02 1wnb h ILE 232 CO -0.09 0.18 -0.24 0.40 0.00 0.00 0.00 178.15 178.41 1wnb h ILE 233 N 0.56 0.43 -0.71 -0.67 2.04 -1.02 -0.96 117.51 117.19 1wnb h ILE 233 Ca 0.15 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.96 1wnb h ILE 233 Cb 0.09 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.57 1wnb h ILE 233 CO -0.02 0.00 0.26 0.28 0.00 0.00 0.00 178.15 178.67 1wnb h SER 234 N -0.31 0.99 0.27 1.72 0.02 -1.29 -1.96 113.55 113.00 1wnb h SER 234 Ca 0.09 -0.19 -0.03 0.00 -0.84 0.00 0.00 61.79 60.82 1wnb h SER 234 Cb 0.45 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.73 1wnb h SER 234 CO -0.29 0.91 -0.16 -0.74 -1.14 0.00 0.00 176.83 175.42 1wnb h HIS 235 N 1.02 0.00 -0.18 3.45 -0.00 -0.81 -3.00 115.15 115.62 1wnb h HIS 235 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.60 1wnb h HIS 235 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.66 1wnb h HIS 235 CO 0.02 0.16 0.00 0.25 -0.00 0.00 0.00 177.93 178.36 1wnb n THR 236 N -3.97 0.42 -0.16 6.26 -2.24 -0.38 -4.64 114.28 109.57 1wnb n THR 236 Ca -0.02 -0.71 0.02 0.00 -2.27 0.00 0.00 64.05 61.07 1wnb n THR 236 Cb 0.24 0.95 0.30 0.00 -2.10 0.00 0.00 70.33 69.72 1wnb n THR 236 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wnb h ALA 237 N 2.50 1.53 0.00 6.98 0.00 -1.20 -2.78 119.26 126.29 1wnb h ALA 237 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1wnb h ALA 237 Cb 0.64 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1wnb h ALA 237 CO 0.00 0.44 0.08 0.66 0.00 0.00 0.00 179.25 180.42 1wnb h SER 238 N 0.89 0.00 -0.01 0.00 4.64 -1.82 -1.99 113.55 115.26 1wnb h SER 238 Ca 0.24 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1wnb h SER 238 Cb -0.10 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 61.99 1wnb h SER 238 CO -0.05 0.00 -0.10 -1.54 -0.87 0.00 0.00 176.83 174.27 1wnb n SER 239 N -2.88 2.25 -4.24 4.97 3.41 -1.05 -4.98 113.62 111.10 1wnb n SER 239 Ca -0.02 -3.25 -0.35 0.00 -0.26 0.00 0.00 58.87 54.98 1wnb n SER 239 Cb 0.13 -0.45 -0.08 0.00 -0.26 0.00 0.00 64.21 63.55 1wnb n SER 239 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1wnb n ILE 240 N -1.36 -0.32 -1.85 -1.33 2.08 -0.75 -4.85 119.36 110.99 1wnb n ILE 240 Ca 0.17 -0.16 -0.40 0.00 0.56 0.00 0.00 62.75 62.92 1wnb n ILE 240 Cb 0.66 -0.62 0.01 0.00 -0.75 0.00 0.00 39.64 38.94 1wnb n ILE 240 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 1wnb s LYS 241 N -6.82 3.73 0.18 0.38 1.02 -1.20 -4.93 119.74 112.10 1wnb s LYS 241 Ca 0.50 2.37 -0.32 0.00 0.02 0.00 0.00 55.97 58.54 1wnb s LYS 241 Cb -0.29 -2.67 -0.11 0.00 -0.52 0.00 0.00 37.83 34.24 1wnb s LYS 241 CO 0.93 -0.76 1.70 0.50 -0.92 0.00 0.00 175.35 176.79 1wnb s ARG 242 N -2.42 4.15 0.25 1.68 6.06 -0.99 -4.91 118.95 122.77 1wnb s ARG 242 Ca 0.60 2.53 0.10 0.00 -2.50 0.00 0.00 55.73 56.47 1wnb s ARG 242 Cb -0.43 -3.19 -0.05 0.00 0.06 0.00 0.00 34.95 31.35 1wnb s ARG 242 CO 0.55 -0.73 -0.09 0.95 -2.50 0.00 0.00 175.30 173.48 1wnb s THR 243 N 1.45 3.06 -0.20 4.11 -4.23 -1.26 -1.00 115.64 117.58 1wnb s THR 243 Ca 0.74 -2.03 -0.05 0.00 -1.18 0.00 0.00 61.69 59.17 1wnb s THR 243 Cb -0.47 -2.60 0.10 0.00 1.34 0.00 0.00 72.50 70.86 1wnb s THR 243 CO 0.32 -0.33 0.35 -2.28 -0.54 0.00 0.00 174.62 172.14 1wnb s HIS 244 N -2.26 -0.66 -0.03 3.99 2.46 -0.78 -4.95 115.29 113.06 1wnb s HIS 244 Ca 0.29 1.03 0.00 0.00 0.47 0.00 0.00 55.06 56.86 1wnb s HIS 244 Cb -0.06 0.06 0.03 0.00 -0.13 0.00 0.00 32.58 32.47 1wnb s HIS 244 CO 0.17 -0.54 0.01 1.41 -2.47 0.00 0.00 174.74 173.32 1wnb s MET 245 N 2.52 0.22 -0.27 2.88 1.75 -0.99 0.01 119.30 125.42 1wnb s MET 245 Ca 0.05 0.13 -0.00 0.00 -1.25 0.00 0.00 55.69 54.61 1wnb s MET 245 Cb -0.14 -0.46 0.08 0.00 2.84 0.00 0.00 34.83 37.15 1wnb s MET 245 CO -0.13 -0.17 0.03 -2.00 -0.65 0.00 0.00 175.02 172.11 1wnb s GLU 246 N 1.18 1.06 -0.26 4.11 -6.30 0.26 -1.03 118.70 117.71 1wnb s GLU 246 Ca -0.08 -0.99 0.10 0.00 -2.50 0.00 0.00 54.97 51.50 1wnb s GLU 246 Cb -0.13 -2.33 0.47 0.00 0.00 0.00 0.00 34.13 32.14 1wnb s GLU 246 CO -0.02 -0.79 1.36 1.28 0.02 0.00 0.00 175.26 177.11 1wnb n LEU 247 N 4.77 3.53 0.00 2.70 4.77 0.18 -2.33 117.00 130.63 1wnb n LEU 247 Ca -0.06 -3.84 0.00 0.00 -0.03 0.00 0.00 56.01 52.08 1wnb n LEU 247 Cb 0.44 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1wnb n LEU 247 CO 0.15 1.33 0.00 0.61 -1.33 0.00 0.00 177.39 178.14 1wnb n GLY 248 N -1.12 -3.56 2.64 -0.72 0.00 -1.26 -4.17 105.19 97.00 1wnb n GLY 248 Ca 0.27 -1.91 -0.06 0.00 0.00 0.00 0.00 46.02 44.32 1wnb n GLY 248 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wnb n GLY 249 N -0.33 1.25 2.77 -0.02 0.00 -1.25 -4.47 105.19 103.15 1wnb n GLY 249 Ca 0.00 -1.18 -0.07 0.00 0.00 0.00 0.00 46.02 44.77 1wnb n GLY 249 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wnb s LYS 250 N -2.06 0.99 -0.09 1.61 2.47 -1.26 -4.68 119.74 116.72 1wnb s LYS 250 Ca 0.11 -1.10 -0.29 0.00 -1.56 0.00 0.00 55.97 53.13 1wnb s LYS 250 Cb -0.03 -0.26 -0.05 0.00 -1.46 0.00 0.00 37.83 36.03 1wnb s LYS 250 CO 0.08 -1.31 1.67 0.00 0.16 0.00 0.00 175.35 175.95 1wnb s ALA 251 N 0.92 3.51 0.35 3.13 0.00 -1.25 -4.89 121.76 123.53 1wnb s ALA 251 Ca 0.28 0.84 -0.27 0.00 0.00 0.00 0.00 51.96 52.81 1wnb s ALA 251 Cb -0.01 -3.78 -0.09 0.00 0.00 0.00 0.00 23.12 19.24 1wnb s ALA 251 CO -0.07 -1.57 1.12 -1.25 0.00 0.00 0.00 175.76 173.98 1wnb s PRO 252 N 4.27 4.32 -0.31 0.00 0.05 -1.26 -2.72 135.00 139.35 1wnb s PRO 252 Ca 0.74 1.76 0.03 0.00 0.05 0.00 0.00 61.00 63.58 1wnb s PRO 252 Cb -0.32 -2.85 0.08 0.00 0.05 0.00 0.00 34.50 31.47 1wnb s PRO 252 CO 0.30 -0.07 -0.00 0.08 0.05 0.00 0.00 177.00 177.36 1wnb s VAL 253 N -1.37 2.35 -0.37 -0.36 1.01 0.62 -1.77 120.40 120.51 1wnb s VAL 253 Ca 0.52 -2.00 -0.17 0.00 0.00 0.00 0.00 61.98 60.33 1wnb s VAL 253 Cb -0.29 -2.57 0.00 0.00 0.00 0.00 0.00 36.38 33.51 1wnb s VAL 253 CO 0.37 -0.36 0.44 -0.63 0.00 0.00 0.00 175.10 174.92 1wnb s ILE 254 N 1.01 5.08 -0.27 2.22 1.01 0.50 -0.94 121.20 129.81 1wnb s ILE 254 Ca 0.02 0.06 -0.00 0.00 0.00 0.00 0.00 60.65 60.73 1wnb s ILE 254 Cb -0.20 -3.94 0.05 0.00 0.01 0.00 0.00 42.46 38.38 1wnb s ILE 254 CO -0.06 -0.23 -0.05 -0.69 0.00 0.00 0.00 174.94 173.90 1wnb s VAL 255 N 2.21 2.68 0.62 2.92 1.01 0.12 0.55 120.40 130.50 1wnb s VAL 255 Ca 0.15 -1.38 -0.02 0.00 0.00 0.00 0.00 61.98 60.73 1wnb s VAL 255 Cb -0.16 -2.50 0.05 0.00 0.00 0.00 0.00 36.38 33.76 1wnb s VAL 255 CO 0.13 -0.00 0.88 -0.36 0.00 0.00 0.00 175.10 175.75 1wnb s PHE 256 N 1.22 2.88 0.56 5.22 0.40 -0.61 -0.63 117.98 127.03 1wnb s PHE 256 Ca -0.05 0.19 0.26 0.00 -0.60 0.00 0.00 56.93 56.72 1wnb s PHE 256 Cb -0.19 -2.95 1.55 0.00 0.51 0.00 0.00 43.02 41.94 1wnb s PHE 256 CO -0.03 -1.11 2.11 -0.44 0.70 0.00 0.00 175.22 176.45 1wnb h ASP 257 N -0.23 0.00 -0.60 1.36 3.32 -1.90 -2.08 116.42 116.29 1wnb h ASP 257 Ca -0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1wnb h ASP 257 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 1wnb h ASP 257 CO 0.56 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.18 1wnb n ASP 258 N -4.07 3.37 -4.75 6.45 5.75 -1.26 -4.89 116.55 117.15 1wnb n ASP 258 Ca 0.02 -2.05 -0.34 0.00 -0.01 0.00 0.00 54.79 52.41 1wnb n ASP 258 Cb 0.30 -0.42 0.07 0.00 -1.03 0.00 0.00 41.12 40.03 1wnb n ASP 258 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wnb s ALA 259 N -1.27 2.30 -0.72 2.12 0.00 -0.78 -3.35 121.76 120.05 1wnb s ALA 259 Ca 0.41 0.73 -0.27 0.00 0.00 0.00 0.00 51.96 52.83 1wnb s ALA 259 Cb 0.22 -3.40 0.03 0.00 0.00 0.00 0.00 23.12 19.97 1wnb s ALA 259 CO 0.27 -1.56 1.32 0.34 0.00 0.00 0.00 175.76 176.13 1wnb s ASP 260 N -2.26 6.10 0.23 0.00 -1.08 -1.26 -4.87 116.67 113.54 1wnb s ASP 260 Ca 0.71 -0.35 -0.06 0.00 -0.52 0.00 0.00 52.55 52.33 1wnb s ASP 260 Cb -0.25 -2.56 0.22 0.00 -1.46 0.00 0.00 42.92 38.87 1wnb s ASP 260 CO 0.43 -1.86 1.81 0.40 0.52 0.00 0.00 175.17 176.47 1wnb h ILE 261 N 6.11 1.25 -0.20 4.11 1.08 -1.96 -0.44 117.51 127.47 1wnb h ILE 261 Ca -0.28 -0.76 0.04 0.00 -0.39 0.00 0.00 64.86 63.47 1wnb h ILE 261 Cb 1.06 0.27 -0.01 0.00 -3.07 0.00 0.00 36.82 35.07 1wnb h ILE 261 CO 1.27 0.32 0.14 -0.33 -0.69 0.00 0.00 178.15 178.86 1wnb h GLU 262 N 1.14 0.09 0.14 2.37 3.07 -2.00 -1.50 114.58 117.90 1wnb h GLU 262 Ca 0.27 -0.01 -0.28 0.00 -0.50 0.00 0.00 59.36 58.84 1wnb h GLU 262 Cb 0.17 -0.02 0.01 0.00 -0.84 0.00 0.00 28.75 28.06 1wnb h GLU 262 CO -0.03 0.06 -1.31 0.00 -1.40 0.00 0.00 179.01 176.33 1wnb h ALA 263 N 1.89 0.10 -0.78 3.43 0.00 -1.51 -1.49 119.26 120.91 1wnb h ALA 263 Ca 0.09 -0.92 -0.03 0.00 0.00 0.00 0.00 54.91 54.05 1wnb h ALA 263 Cb 0.24 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1wnb h ALA 263 CO -0.01 0.98 0.38 0.28 0.00 0.00 0.00 179.25 180.89 1wnb h VAL 264 N 0.08 1.24 -0.01 0.00 2.07 -0.80 0.61 116.25 119.45 1wnb h VAL 264 Ca -0.16 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 1wnb h VAL 264 Cb 2.00 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 1wnb h VAL 264 CO 0.20 0.29 -0.04 0.58 0.02 0.00 0.00 177.57 178.62 1wnb h VAL 265 N 1.10 1.51 -0.83 2.57 2.07 -1.15 -1.25 116.25 120.27 1wnb h VAL 265 Ca 0.27 -1.56 0.14 0.00 0.82 0.00 0.00 66.70 66.37 1wnb h VAL 265 Cb 0.10 2.54 -0.09 0.00 -1.52 0.00 0.00 31.29 32.32 1wnb h VAL 265 CO -0.04 0.41 0.42 -0.08 0.02 0.00 0.00 177.57 178.31 1wnb h GLU 266 N -0.59 0.59 0.24 1.57 4.81 -1.21 -0.55 114.58 119.44 1wnb h GLU 266 Ca -0.00 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1wnb h GLU 266 Cb 0.70 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.95 1wnb h GLU 266 CO 0.01 0.39 -0.12 0.78 -0.73 0.00 0.00 179.01 179.34 1wnb h GLY 267 N 0.61 -0.34 1.18 1.92 0.00 -0.64 -3.20 103.07 102.60 1wnb h GLY 267 Ca 0.45 0.12 -0.05 0.00 0.00 0.00 0.00 47.33 47.86 1wnb h GLY 267 CO -0.36 -0.12 0.24 -2.08 0.00 0.00 0.00 176.54 174.22 1wnb h VAL 268 N -0.59 1.24 -0.94 4.60 2.07 -1.13 0.24 116.25 121.75 1wnb h VAL 268 Ca -0.03 -0.81 0.20 0.00 0.82 0.00 0.00 66.70 66.87 1wnb h VAL 268 Cb 0.43 0.46 -0.08 0.00 -1.52 0.00 0.00 31.29 30.58 1wnb h VAL 268 CO 0.05 0.32 0.60 -0.09 0.02 0.00 0.00 177.57 178.48 1wnb h ARG 269 N 1.00 0.51 0.01 1.57 2.43 -1.16 0.34 114.38 119.08 1wnb h ARG 269 Ca 0.23 -0.03 -0.21 0.00 -0.81 0.00 0.00 59.98 59.16 1wnb h ARG 269 Cb 0.24 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 1wnb h ARG 269 CO -0.01 0.34 -1.12 1.15 -1.51 0.00 0.00 179.97 178.82 1wnb h THR 270 N 0.52 1.03 0.00 0.20 2.02 -1.41 -3.39 112.91 111.88 1wnb h THR 270 Ca 0.50 -2.21 0.00 0.00 0.77 0.00 0.00 66.41 65.47 1wnb h THR 270 Cb 1.08 2.39 0.00 0.00 -1.74 0.00 0.00 68.15 69.88 1wnb h THR 270 CO -0.23 0.37 -0.18 0.49 0.37 0.00 0.00 175.52 176.34 1wnb n PHE 271 N -4.42 0.76 0.13 3.16 3.72 0.78 -0.93 117.46 120.65 1wnb n PHE 271 Ca -0.29 0.22 0.04 0.00 -0.05 0.00 0.00 57.45 57.37 1wnb n PHE 271 Cb 0.67 -0.82 0.03 0.00 -0.94 0.00 0.00 39.48 38.41 1wnb n PHE 271 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1wnb h GLY 272 N 4.56 0.00 0.00 1.37 0.00 -0.51 -0.35 103.07 108.14 1wnb h GLY 272 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1wnb h GLY 272 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 174.82 1wnb n TYR 273 N -3.09 0.00 -2.05 5.60 4.02 -1.14 -4.12 117.16 116.37 1wnb n TYR 273 Ca -0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.51 1wnb n TYR 273 Cb 0.70 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 40.03 1wnb n TYR 273 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 1wnb s TYR 274 N -0.26 2.65 -1.16 -0.72 6.14 -0.11 -0.84 117.35 123.04 1wnb s TYR 274 Ca 0.00 1.46 -0.02 0.00 0.64 0.00 0.00 57.07 59.15 1wnb s TYR 274 Cb 0.00 -3.58 0.01 0.00 0.42 0.00 0.00 41.96 38.81 1wnb s TYR 274 CO 0.00 -2.11 0.13 -1.71 0.64 0.00 0.00 175.55 172.49 1wnb n ASN 275 N -0.58 -4.11 -2.91 4.32 5.15 -1.26 -0.83 115.26 115.04 1wnb n ASN 275 Ca 0.08 0.05 -0.18 0.00 -0.60 0.00 0.00 54.58 53.93 1wnb n ASN 275 Cb 0.46 -3.45 -0.00 0.00 -0.53 0.00 0.00 39.78 36.25 1wnb n ASN 275 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1wnb n ALA 276 N -2.53 -0.93 -1.02 5.20 0.00 -0.02 -2.00 120.51 119.21 1wnb n ALA 276 Ca -0.13 0.10 -0.01 0.00 0.00 0.00 0.00 53.44 53.41 1wnb n ALA 276 Cb 0.60 -2.23 -0.00 0.00 0.00 0.00 0.00 19.45 17.82 1wnb n ALA 276 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wnb n GLY 277 N -1.02 0.29 2.88 0.00 0.00 -0.01 -1.38 105.19 105.95 1wnb n GLY 277 Ca -0.08 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 1wnb n GLY 277 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1wnb n GLN 278 N -1.02 3.53 -3.70 1.61 6.02 -0.84 -3.53 117.38 119.45 1wnb n GLN 278 Ca -0.01 -3.44 -0.11 0.00 -0.01 0.00 0.00 57.00 53.44 1wnb n GLN 278 Cb 0.27 -2.97 -0.11 0.00 1.02 0.00 0.00 30.24 28.44 1wnb n GLN 278 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1wnb s ASP 279 N 1.21 -0.46 0.59 1.08 -1.08 -1.26 -4.85 116.67 111.90 1wnb s ASP 279 Ca 0.41 0.84 0.37 0.00 -0.52 0.00 0.00 52.55 53.65 1wnb s ASP 279 Cb 0.10 0.74 1.70 0.00 -1.46 0.00 0.00 42.92 44.00 1wnb s ASP 279 CO -0.01 -0.19 2.11 0.00 0.52 0.00 0.00 175.17 177.60 1wnb n THR 281 N -3.09 1.82 -1.65 0.00 -2.24 -1.26 -3.77 114.28 104.08 1wnb n THR 281 Ca -0.01 -1.25 -0.46 0.00 -2.27 0.00 0.00 64.05 60.07 1wnb n THR 281 Cb 0.23 0.12 -0.03 0.00 -2.10 0.00 0.00 70.33 68.56 1wnb n THR 281 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wnb n ALA 282 N 0.94 0.71 -1.49 6.98 0.00 -0.79 -4.70 120.51 122.16 1wnb n ALA 282 Ca 0.24 0.42 -0.40 0.00 0.00 0.00 0.00 53.44 53.71 1wnb n ALA 282 Cb 0.86 -2.22 -0.05 0.00 0.00 0.00 0.00 19.45 18.04 1wnb n ALA 282 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wnb n ALA 283 N 1.82 3.26 0.06 0.00 0.00 -0.14 -3.96 120.51 121.55 1wnb n ALA 283 Ca 0.12 -3.35 0.09 0.00 0.00 0.00 0.00 53.44 50.30 1wnb n ALA 283 Cb 0.30 -3.59 -0.13 0.00 0.00 0.00 0.00 19.45 16.03 1wnb n ALA 283 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wnb s ARG 285 N -3.17 1.65 -0.09 0.00 3.52 -1.10 -1.76 118.95 117.99 1wnb s ARG 285 Ca -0.05 -2.29 -0.24 0.00 -0.13 0.00 0.00 55.73 53.01 1wnb s ARG 285 Cb 0.11 -2.90 -0.03 0.00 -1.56 0.00 0.00 34.95 30.57 1wnb s ARG 285 CO 0.73 -1.11 0.74 0.42 -0.81 0.00 0.00 175.30 175.26 1wnb s ILE 286 N 0.09 5.00 -0.31 4.11 1.01 -0.21 -0.27 121.20 130.62 1wnb s ILE 286 Ca 0.17 1.50 -0.12 0.00 0.00 0.00 0.00 60.65 62.20 1wnb s ILE 286 Cb -0.25 -4.07 -0.03 0.00 0.01 0.00 0.00 42.46 38.12 1wnb s ILE 286 CO -0.01 0.19 0.20 -0.31 0.00 0.00 0.00 174.94 175.01 1wnb s TYR 287 N 1.19 3.21 -0.16 3.97 1.51 -0.11 -0.67 117.35 126.30 1wnb s TYR 287 Ca 0.38 -0.11 0.01 0.00 -1.01 0.00 0.00 57.07 56.34 1wnb s TYR 287 Cb -0.18 -2.41 0.02 0.00 -0.11 0.00 0.00 41.96 39.28 1wnb s TYR 287 CO 0.17 -0.28 -0.18 0.00 -1.11 0.00 0.00 175.55 174.14 1wnb s ALA 288 N 1.72 2.12 0.56 3.71 0.00 -0.44 0.10 121.76 129.54 1wnb s ALA 288 Ca 0.06 -1.06 -0.18 0.00 0.00 0.00 0.00 51.96 50.78 1wnb s ALA 288 Cb -0.17 -1.07 -0.08 0.00 0.00 0.00 0.00 23.12 21.80 1wnb s ALA 288 CO 0.10 -0.27 0.59 0.94 0.00 0.00 0.00 175.76 177.12 1wnb n GLN 289 N 4.51 0.57 0.05 0.00 7.27 0.19 -2.39 117.38 127.59 1wnb n GLN 289 Ca -0.19 0.22 -0.02 0.00 0.07 0.00 0.00 57.00 57.08 1wnb n GLN 289 Cb 0.50 -1.75 0.26 0.00 2.41 0.00 0.00 30.24 31.66 1wnb n GLN 289 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 1wnb h LYS 290 N 0.33 0.38 -0.83 3.69 1.57 -1.46 -1.58 116.57 118.67 1wnb h LYS 290 Ca -0.46 -0.13 0.15 0.00 -1.87 0.00 0.00 60.65 58.35 1wnb h LYS 290 Cb 1.39 -0.03 -0.15 0.00 0.08 0.00 0.00 32.23 33.52 1wnb h LYS 290 CO 0.48 0.60 -0.27 0.78 -0.57 0.00 0.00 179.45 180.46 1wnb h GLY 291 N 0.99 0.36 -0.79 3.86 0.00 -1.90 -3.21 103.07 102.38 1wnb h GLY 291 Ca 0.05 0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.75 1wnb h GLY 291 CO 0.04 -0.28 -0.36 0.29 0.00 0.00 0.00 176.54 176.23 1wnb n ILE 292 N -5.51 0.00 -0.20 2.60 -6.64 -0.68 -4.67 119.36 104.26 1wnb n ILE 292 Ca 0.10 -0.32 -0.03 0.00 -1.77 0.00 0.00 62.75 60.74 1wnb n ILE 292 Cb 0.41 1.20 0.04 0.00 -1.44 0.00 0.00 39.64 39.85 1wnb n ILE 292 CO 0.00 0.00 0.00 0.22 -1.77 0.00 0.00 176.55 175.00 1wnb h TYR 293 N 1.92 -0.58 -0.06 4.28 3.20 -1.34 0.19 116.97 124.60 1wnb h TYR 293 Ca 0.00 0.06 -0.25 0.00 3.14 0.00 0.00 58.73 61.69 1wnb h TYR 293 Cb 0.59 0.34 0.01 0.00 1.54 0.00 0.00 36.73 39.22 1wnb h TYR 293 CO 0.00 -0.32 -0.93 -0.44 -1.64 0.00 0.00 178.16 174.82 1wnb h ASP 294 N -0.08 0.87 0.39 -2.11 3.32 -1.83 -0.74 116.42 116.25 1wnb h ASP 294 Ca 0.27 -0.65 -0.02 0.00 0.02 0.00 0.00 57.03 56.65 1wnb h ASP 294 Cb 0.51 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1wnb h ASP 294 CO -0.66 1.45 -0.19 0.74 -1.72 0.00 0.00 179.24 178.86 1wnb h THR 295 N 0.43 0.62 -0.61 0.35 2.02 -1.81 -2.17 112.91 111.74 1wnb h THR 295 Ca -0.10 -0.09 0.13 0.00 0.77 0.00 0.00 66.41 67.12 1wnb h THR 295 Cb 1.57 0.67 -0.10 0.00 -1.74 0.00 0.00 68.15 68.55 1wnb h THR 295 CO 0.18 0.02 -0.02 0.25 0.37 0.00 0.00 175.52 176.32 1wnb h LEU 296 N -0.58 -0.30 -0.26 2.58 5.85 -0.47 -1.67 115.31 120.46 1wnb h LEU 296 Ca -0.05 0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 1wnb h LEU 296 Cb 0.43 0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 1wnb h LEU 296 CO 0.09 -0.12 0.14 0.58 -0.34 0.00 0.00 178.44 178.79 1wnb h VAL 297 N 0.10 1.13 -0.08 1.05 2.07 -0.95 0.23 116.25 119.80 1wnb h VAL 297 Ca 0.31 -0.35 0.03 0.00 0.82 0.00 0.00 66.70 67.52 1wnb h VAL 297 Cb 0.50 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 1wnb h VAL 297 CO -0.53 0.13 -0.10 -0.08 0.02 0.00 0.00 177.57 177.00 1wnb h GLU 298 N 0.31 -0.13 -0.07 1.57 4.81 -1.29 0.14 114.58 119.92 1wnb h GLU 298 Ca 0.09 0.01 -0.21 0.00 -0.13 0.00 0.00 59.36 59.12 1wnb h GLU 298 Cb 0.08 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1wnb h GLU 298 CO -0.01 -0.09 -0.81 0.87 -0.73 0.00 0.00 179.01 178.24 1wnb h LYS 299 N -0.14 0.51 -0.08 1.92 1.57 -1.16 -2.47 116.57 116.73 1wnb h LYS 299 Ca 0.07 -0.45 -0.01 0.00 -1.87 0.00 0.00 60.65 58.38 1wnb h LYS 299 Cb 0.23 0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 1wnb h LYS 299 CO -0.16 1.08 -0.01 1.25 -0.57 0.00 0.00 179.45 181.04 1wnb h LEU 300 N 0.33 0.14 -0.49 2.94 5.85 -0.44 -1.16 115.31 122.48 1wnb h LEU 300 Ca -0.05 -0.35 0.10 0.00 0.84 0.00 0.00 57.88 58.42 1wnb h LEU 300 Cb 1.41 -0.04 -0.09 0.00 0.37 0.00 0.00 40.66 42.31 1wnb h LEU 300 CO 0.15 0.45 -0.13 1.23 -0.34 0.00 0.00 178.44 179.80 1wnb h GLY 301 N -0.17 0.33 1.01 3.75 0.00 -0.72 0.28 103.07 107.54 1wnb h GLY 301 Ca 0.02 0.18 -0.04 0.00 0.00 0.00 0.00 47.33 47.49 1wnb h GLY 301 CO 0.01 -0.19 0.24 0.00 0.00 0.00 0.00 176.54 176.59 1wnb h ALA 302 N 1.46 0.82 -0.56 3.60 0.00 -1.37 -1.72 119.26 121.49 1wnb h ALA 302 Ca 0.24 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1wnb h ALA 302 Cb 0.38 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1wnb h ALA 302 CO -0.51 0.45 -0.04 0.00 0.00 0.00 0.00 179.25 179.15 1wnb h ALA 303 N 1.09 0.86 -0.49 0.00 0.00 -0.82 -3.26 119.26 116.65 1wnb h ALA 303 Ca 0.21 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1wnb h ALA 303 Cb 0.23 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1wnb h ALA 303 CO -0.01 0.66 -0.07 0.28 0.00 0.00 0.00 179.25 180.11 1wnb h VAL 304 N 0.92 1.26 0.00 0.00 2.07 -0.36 -2.91 116.25 117.23 1wnb h VAL 304 Ca 0.16 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 66.53 1wnb h VAL 304 Cb 0.59 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1wnb h VAL 304 CO 0.04 0.40 0.00 0.00 0.02 0.00 0.00 177.57 178.03 1wnb h ALA 305 N 1.13 1.00 -0.01 1.67 0.00 -1.35 -1.93 119.26 119.78 1wnb h ALA 305 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1wnb h ALA 305 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1wnb h ALA 305 CO 0.03 0.00 -0.34 0.25 0.00 0.00 0.00 179.25 179.19 1wnb n THR 306 N -2.81 0.00 -1.66 0.00 -2.24 -1.10 -4.92 114.28 101.55 1wnb n THR 306 Ca -0.02 -0.19 -0.49 0.00 -2.27 0.00 0.00 64.05 61.08 1wnb n THR 306 Cb 0.06 0.77 -0.05 0.00 -2.10 0.00 0.00 70.33 69.01 1wnb n THR 306 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1wnb n LEU 307 N -0.34 2.89 -4.61 3.22 4.77 -0.73 -4.91 117.00 117.28 1wnb n LEU 307 Ca 0.11 1.06 -0.39 0.00 -0.03 0.00 0.00 56.01 56.76 1wnb n LEU 307 Cb 0.40 -1.35 -0.09 0.00 -2.33 0.00 0.00 43.42 40.06 1wnb n LEU 307 CO 0.27 -0.36 0.08 -0.75 -1.33 0.00 0.00 177.39 175.29 1wnb s LYS 308 N 1.93 4.04 0.15 3.23 2.36 -1.26 -4.93 119.74 125.26 1wnb s LYS 308 Ca 0.85 0.08 -0.02 0.00 -2.55 0.00 0.00 55.97 54.33 1wnb s LYS 308 Cb -0.76 -3.64 -0.05 0.00 -1.05 0.00 0.00 37.83 32.33 1wnb s LYS 308 CO 0.45 -0.25 0.35 -1.12 1.55 0.00 0.00 175.35 176.33 1wnb s SER 309 N 1.55 6.42 0.00 1.43 0.01 -1.26 -0.12 113.70 121.74 1wnb s SER 309 Ca 0.16 0.45 0.00 0.00 1.31 0.00 0.00 55.95 57.87 1wnb s SER 309 Cb -0.16 -2.03 0.00 0.00 0.21 0.00 0.00 66.02 64.04 1wnb s SER 309 CO 0.09 0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.39 1wnb n GLY 310 N -0.17 -1.19 3.67 3.44 0.00 -1.25 -4.94 105.19 104.75 1wnb n GLY 310 Ca -0.04 -0.92 -0.44 0.00 0.00 0.00 0.00 46.02 44.62 1wnb n GLY 310 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wnb n ALA 311 N 0.00 1.06 0.25 4.61 0.00 -1.26 -4.88 120.51 120.30 1wnb n ALA 311 Ca 0.00 0.39 0.09 0.00 0.00 0.00 0.00 53.44 53.93 1wnb n ALA 311 Cb 0.00 -2.25 0.67 0.00 0.00 0.00 0.00 19.45 17.88 1wnb n ALA 311 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1wnb h PRO 312 N 3.54 0.00 -0.14 0.00 0.11 -1.87 -2.48 132.00 131.16 1wnb h PRO 312 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1wnb h PRO 312 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1wnb h PRO 312 CO 0.71 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.10 1wnb n ASP 313 N -4.45 1.35 -4.69 -2.05 5.68 -1.26 -0.49 116.55 110.63 1wnb n ASP 313 Ca -0.03 -1.66 -0.39 0.00 -0.50 0.00 0.00 54.79 52.21 1wnb n ASP 313 Cb 0.11 -0.09 -0.05 0.00 -1.14 0.00 0.00 41.12 39.95 1wnb n ASP 313 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1wnb s ASP 314 N -1.56 6.79 0.57 -1.12 -1.08 -0.94 -4.92 116.67 114.41 1wnb s ASP 314 Ca 0.31 0.95 0.31 0.00 -0.52 0.00 0.00 52.55 53.61 1wnb s ASP 314 Cb 0.16 -2.36 1.75 0.00 -1.46 0.00 0.00 42.92 41.01 1wnb s ASP 314 CO 0.25 -0.16 2.19 -0.08 0.52 0.00 0.00 175.17 177.89 1wnb h GLU 315 N 7.06 0.00 0.00 4.34 4.81 -1.86 -2.17 114.58 126.76 1wnb h GLU 315 Ca -0.37 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 1wnb h GLU 315 Cb 1.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1wnb h GLU 315 CO 0.76 0.05 0.00 -1.13 -0.73 0.00 0.00 179.01 177.96 1wnb n SER 316 N -3.62 0.45 -4.67 1.04 3.41 -1.26 -4.81 113.62 104.17 1wnb n SER 316 Ca -0.02 0.55 -0.42 0.00 -0.26 0.00 0.00 58.87 58.72 1wnb n SER 316 Cb 0.15 -0.67 -0.03 0.00 -0.26 0.00 0.00 64.21 63.40 1wnb n SER 316 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1wnb s THR 317 N -3.08 3.66 -0.15 6.66 2.01 -0.82 -4.76 115.64 119.16 1wnb s THR 317 Ca 0.11 0.87 0.11 0.00 0.31 0.00 0.00 61.69 63.09 1wnb s THR 317 Cb 0.14 -3.56 -0.17 0.00 0.01 0.00 0.00 72.50 68.92 1wnb s THR 317 CO 0.52 -0.06 0.01 -0.62 -0.69 0.00 0.00 174.62 173.78 1wnb n GLU 318 N 6.64 1.40 -3.98 4.92 1.02 0.83 -4.84 120.64 126.65 1wnb n GLU 318 Ca 0.16 0.01 -0.31 0.00 -0.02 0.00 0.00 57.16 57.01 1wnb n GLU 318 Cb 0.43 -1.37 -0.15 0.00 -0.02 0.00 0.00 31.44 30.32 1wnb n GLU 318 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1wnb s LEU 319 N -5.26 2.72 0.00 -4.62 2.96 -0.08 -4.82 118.68 109.58 1wnb s LEU 319 Ca -0.11 -1.18 0.02 0.00 -0.22 0.00 0.00 54.13 52.64 1wnb s LEU 319 Cb 0.05 -1.27 0.07 0.00 0.50 0.00 0.00 46.19 45.53 1wnb s LEU 319 CO 0.56 -0.21 0.50 0.61 -1.32 0.00 0.00 176.35 176.49 1wnb n GLY 320 N 4.62 1.18 3.71 7.98 0.00 -1.26 -3.92 105.19 117.49 1wnb n GLY 320 Ca -0.13 -2.07 -0.29 0.00 0.00 0.00 0.00 46.02 43.53 1wnb n GLY 320 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wnb s PRO 321 N -3.69 0.11 0.64 1.61 0.04 -1.26 -4.67 135.00 127.78 1wnb s PRO 321 Ca 0.35 0.17 -0.09 0.00 0.04 0.00 0.00 61.00 61.46 1wnb s PRO 321 Cb -0.02 -1.73 -0.01 0.00 0.04 0.00 0.00 34.50 32.78 1wnb s PRO 321 CO 0.23 -2.87 1.00 -0.51 0.04 0.00 0.00 177.00 174.89 1wnb s LEU 322 N -6.44 3.13 0.41 -3.56 1.43 0.24 -4.78 118.68 109.11 1wnb s LEU 322 Ca 0.68 1.09 0.14 0.00 -1.03 0.00 0.00 54.13 55.00 1wnb s LEU 322 Cb -0.13 -3.97 0.85 0.00 0.03 0.00 0.00 46.19 42.96 1wnb s LEU 322 CO 0.55 -1.08 1.90 0.77 0.23 0.00 0.00 176.35 178.72 1wnb h SER 323 N -0.37 0.00 -5.03 2.29 4.64 -1.86 -3.41 113.55 109.81 1wnb h SER 323 Ca -0.45 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.84 1wnb h SER 323 Cb 1.23 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.20 1wnb h SER 323 CO 0.62 0.29 0.10 -0.94 -0.87 0.00 0.00 176.83 176.03 1wnb s SER 324 N -6.94 -0.43 0.14 4.97 1.04 -1.26 -4.75 113.70 106.47 1wnb s SER 324 Ca -0.03 -0.13 -0.29 0.00 0.48 0.00 0.00 55.95 55.98 1wnb s SER 324 Cb 0.15 0.55 -0.04 0.00 0.10 0.00 0.00 66.02 66.78 1wnb s SER 324 CO 0.71 -0.92 1.58 0.25 0.98 0.00 0.00 173.24 175.84 1wnb h LEU 325 N 2.15 -1.36 -0.72 2.42 5.85 -1.96 -1.24 115.31 120.44 1wnb h LEU 325 Ca -0.34 0.19 0.16 0.00 0.84 0.00 0.00 57.88 58.73 1wnb h LEU 325 Cb 1.29 0.57 -0.11 0.00 0.37 0.00 0.00 40.66 42.78 1wnb h LEU 325 CO 0.42 -0.41 0.14 0.00 -0.34 0.00 0.00 178.44 178.25 1wnb h ALA 326 N 0.21 0.89 -0.79 1.25 0.00 -1.99 -0.98 119.26 117.84 1wnb h ALA 326 Ca 0.09 0.18 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 1wnb h ALA 326 Cb 0.61 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1wnb h ALA 326 CO -0.46 -0.35 0.31 1.25 0.00 0.00 0.00 179.25 180.00 1wnb h HIS 327 N 0.24 1.21 -0.18 0.00 -0.00 -1.90 -0.50 115.15 114.02 1wnb h HIS 327 Ca 0.40 -0.09 0.00 0.00 -0.00 0.00 0.00 60.37 60.68 1wnb h HIS 327 Cb 0.68 -0.36 -0.01 0.00 -0.00 0.00 0.00 27.41 27.72 1wnb h HIS 327 CO -0.29 0.92 0.11 1.25 -0.00 0.00 0.00 177.93 179.93 1wnb h LEU 328 N 1.16 0.20 -1.24 0.26 5.85 0.02 -0.97 115.31 120.58 1wnb h LEU 328 Ca 0.26 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.99 1wnb h LEU 328 Cb 0.22 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 1wnb h LEU 328 CO -0.02 0.14 0.51 -0.33 -0.34 0.00 0.00 178.44 178.41 1wnb h GLU 329 N 0.24 1.01 -0.04 1.25 5.08 -1.03 -0.71 114.58 120.38 1wnb h GLU 329 Ca 0.07 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1wnb h GLU 329 Cb -0.02 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 28.99 1wnb h GLU 329 CO -0.02 0.67 -0.04 -0.09 -1.00 0.00 0.00 179.01 178.53 1wnb h ARG 330 N 1.04 -0.05 -0.23 2.33 2.43 -0.53 -0.41 114.38 118.96 1wnb h ARG 330 Ca 0.29 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.39 1wnb h ARG 330 Cb -0.10 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 1wnb h ARG 330 CO -0.06 -0.04 -0.14 0.28 -1.51 0.00 0.00 179.97 178.50 1wnb h VAL 331 N -0.06 1.31 -0.63 0.20 2.07 -0.82 -2.71 116.25 115.61 1wnb h VAL 331 Ca 0.03 -1.25 0.12 0.00 0.82 0.00 0.00 66.70 66.42 1wnb h VAL 331 Cb 0.10 1.64 -0.09 0.00 -1.52 0.00 0.00 31.29 31.42 1wnb h VAL 331 CO -0.07 0.38 0.16 1.23 0.02 0.00 0.00 177.57 179.29 1wnb h GLY 332 N 0.20 0.84 0.77 2.17 0.00 -1.07 -2.72 103.07 103.25 1wnb h GLY 332 Ca 0.05 -0.05 0.05 0.00 0.00 0.00 0.00 47.33 47.38 1wnb h GLY 332 CO 0.04 -0.11 0.41 1.70 0.00 0.00 0.00 176.54 178.58 1wnb h LYS 333 N 0.29 0.76 -0.56 4.80 3.64 -0.95 -2.14 116.57 122.41 1wnb h LYS 333 Ca 0.33 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.64 1wnb h LYS 333 Cb 0.50 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 1wnb h LYS 333 CO -0.41 0.50 0.22 0.00 -2.27 0.00 0.00 179.45 177.50 1wnb h ALA 334 N 1.33 1.34 0.02 5.00 0.00 -1.25 0.79 119.26 126.50 1wnb h ALA 334 Ca 0.30 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 1wnb h ALA 334 Cb 0.11 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.68 1wnb h ALA 334 CO -0.15 0.49 -0.33 0.28 0.00 0.00 0.00 179.25 179.54 1wnb h VAL 335 N 0.80 1.57 -0.85 0.00 2.07 -1.28 -1.95 116.25 116.61 1wnb h VAL 335 Ca 0.19 -2.12 0.16 0.00 0.82 0.00 0.00 66.70 65.76 1wnb h VAL 335 Cb 0.16 2.93 -0.06 0.00 -1.52 0.00 0.00 31.29 32.79 1wnb h VAL 335 CO -0.02 0.58 0.56 -0.33 0.02 0.00 0.00 177.57 178.38 1wnb h GLU 336 N -0.53 0.49 -0.00 1.57 4.39 -1.28 0.41 114.58 119.63 1wnb h GLU 336 Ca -0.05 -0.03 -0.15 0.00 0.34 0.00 0.00 59.36 59.48 1wnb h GLU 336 Cb 1.13 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.65 1wnb h GLU 336 CO 0.06 0.32 -0.70 0.93 -1.16 0.00 0.00 179.01 178.47 1wnb h GLU 337 N 0.50 0.00 0.27 2.33 5.08 -0.60 -1.00 114.58 121.16 1wnb h GLU 337 Ca 0.43 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.77 1wnb h GLU 337 Cb 0.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 1wnb h GLU 337 CO -0.17 0.70 -0.13 0.00 -1.00 0.00 0.00 179.01 178.41 1wnb h ALA 338 N 1.30 -0.36 -0.70 3.43 0.00 -0.47 -3.08 119.26 119.38 1wnb h ALA 338 Ca -0.01 -0.09 0.13 0.00 0.00 0.00 0.00 54.91 54.94 1wnb h ALA 338 Cb 1.24 0.14 -0.09 0.00 0.00 0.00 0.00 17.79 19.08 1wnb h ALA 338 CO 0.09 -0.68 0.25 0.87 0.00 0.00 0.00 179.25 179.78 1wnb h LYS 339 N -0.40 0.38 0.00 0.00 1.57 -0.84 -2.81 116.57 114.46 1wnb h LYS 339 Ca -0.04 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1wnb h LYS 339 Cb 0.31 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 1wnb h LYS 339 CO 0.06 0.25 -0.01 0.00 -0.57 0.00 0.00 179.45 179.18 1wnb h ALA 340 N 1.52 1.26 0.00 3.86 0.00 -1.09 -2.50 119.26 122.30 1wnb h ALA 340 Ca 0.38 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 1wnb h ALA 340 Cb 0.56 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1wnb h ALA 340 CO -0.39 0.01 -0.06 1.79 0.00 0.00 0.00 179.25 180.60 1wnb h THR 341 N 0.00 0.32 0.00 0.00 1.35 -1.51 -3.47 112.91 109.60 1wnb h THR 341 Ca -0.00 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 1wnb h THR 341 Cb 0.04 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 67.71 1wnb h THR 341 CO 0.00 0.05 0.00 0.61 -0.25 0.00 0.00 175.52 175.94 1wnb n GLY 342 N -0.73 2.92 0.14 5.82 0.00 -0.94 -4.82 105.19 107.58 1wnb n GLY 342 Ca -0.02 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.05 1wnb n GLY 342 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1wnb n HIS 343 N -2.00 0.00 -3.13 1.61 1.44 -1.26 -4.94 115.22 106.95 1wnb n HIS 343 Ca 0.00 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.32 1wnb n HIS 343 Cb 0.00 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.06 1wnb n HIS 343 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1wnb s ILE 344 N -1.54 5.08 -0.13 0.61 1.01 -1.26 -4.59 121.20 120.38 1wnb s ILE 344 Ca 0.06 1.27 -0.04 0.00 0.00 0.00 0.00 60.65 61.95 1wnb s ILE 344 Cb 0.08 -3.97 -0.03 0.00 0.01 0.00 0.00 42.46 38.55 1wnb s ILE 344 CO 0.30 0.24 0.01 -0.54 0.00 0.00 0.00 174.94 174.95 1wnb s LYS 345 N 0.98 3.41 -0.39 2.79 1.02 -0.64 -4.72 119.74 122.18 1wnb s LYS 345 Ca 0.33 -0.41 -0.29 0.00 0.02 0.00 0.00 55.97 55.62 1wnb s LYS 345 Cb -0.17 -2.94 0.02 0.00 -0.52 0.00 0.00 37.83 34.23 1wnb s LYS 345 CO 0.14 0.49 1.10 0.08 -0.92 0.00 0.00 175.35 176.25 1wnb s VAL 346 N -0.30 4.38 -0.05 3.17 1.01 -1.26 -0.70 120.40 126.65 1wnb s VAL 346 Ca 0.07 1.51 -0.08 0.00 0.00 0.00 0.00 61.98 63.48 1wnb s VAL 346 Cb -0.12 -4.50 -0.29 0.00 0.00 0.00 0.00 36.38 31.47 1wnb s VAL 346 CO 0.02 -0.71 0.65 0.40 0.00 0.00 0.00 175.10 175.47 1wnb h ILE 347 N 5.95 0.92 -2.31 2.22 1.08 -1.00 -3.48 117.51 120.89 1wnb h ILE 347 Ca -0.22 -2.54 -0.07 0.00 -0.39 0.00 0.00 64.86 61.65 1wnb h ILE 347 Cb 1.06 2.71 -0.18 0.00 -3.07 0.00 0.00 36.82 37.33 1wnb h ILE 347 CO 1.07 0.85 0.10 0.28 -0.69 0.00 0.00 178.15 179.76 1wnb s THR 348 N -2.58 0.01 0.00 -0.27 -1.32 -1.20 -4.98 115.64 105.30 1wnb s THR 348 Ca -0.15 -0.10 0.00 0.00 -1.21 0.00 0.00 61.69 60.22 1wnb s THR 348 Cb 0.06 -0.94 0.00 0.00 -1.51 0.00 0.00 72.50 70.11 1wnb s THR 348 CO 0.84 -0.06 0.00 0.61 -2.21 0.00 0.00 174.62 173.80 1wnb n GLY 349 N 0.82 0.62 2.06 6.08 0.00 -1.20 -1.70 105.19 111.88 1wnb n GLY 349 Ca -0.19 -1.19 -0.03 0.00 0.00 0.00 0.00 46.02 44.61 1wnb n GLY 349 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wnb n GLY 350 N 0.00 0.27 3.18 -0.02 0.00 -1.26 -4.99 105.19 102.37 1wnb n GLY 350 Ca 0.00 -0.77 -0.12 0.00 0.00 0.00 0.00 46.02 45.12 1wnb n GLY 350 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wnb s GLU 351 N -4.00 0.56 0.48 1.61 2.02 -1.26 -4.99 118.70 113.12 1wnb s GLU 351 Ca 0.00 -0.22 -0.22 0.00 0.02 0.00 0.00 54.97 54.55 1wnb s GLU 351 Cb 0.00 0.25 -0.07 0.00 0.10 0.00 0.00 34.13 34.41 1wnb s GLU 351 CO 0.00 -0.14 1.20 0.15 0.02 0.00 0.00 175.26 176.49 1wnb s LYS 352 N -1.20 3.59 0.54 1.61 1.02 -1.26 -0.46 119.74 123.57 1wnb s LYS 352 Ca -0.13 1.86 -0.12 0.00 0.02 0.00 0.00 55.97 57.60 1wnb s LYS 352 Cb -0.06 -2.34 -0.05 0.00 -0.52 0.00 0.00 37.83 34.85 1wnb s LYS 352 CO 0.03 -0.71 0.94 0.50 -0.92 0.00 0.00 175.35 175.19 1wnb s ARG 353 N -2.79 3.72 0.45 1.68 3.52 -0.52 -4.80 118.95 120.22 1wnb s ARG 353 Ca 0.66 0.69 -0.18 0.00 -0.13 0.00 0.00 55.73 56.77 1wnb s ARG 353 Cb -0.31 -2.19 -0.09 0.00 -1.56 0.00 0.00 34.95 30.80 1wnb s ARG 353 CO 0.37 -0.34 0.93 0.15 -0.81 0.00 0.00 175.30 175.59 1wnb s LYS 354 N -4.58 4.08 0.00 5.12 3.01 -1.26 -4.83 119.74 121.28 1wnb s LYS 354 Ca 0.54 0.98 0.00 0.00 -1.01 0.00 0.00 55.97 56.48 1wnb s LYS 354 Cb -0.10 -2.20 0.00 0.00 -1.01 0.00 0.00 37.83 34.52 1wnb s LYS 354 CO 0.42 -0.10 0.00 0.41 0.51 0.00 0.00 175.35 176.59 1wnb n GLY 355 N -0.99 2.04 3.97 -3.33 0.00 -1.26 -5.02 105.19 100.59 1wnb n GLY 355 Ca 0.06 -2.19 -0.23 0.00 0.00 0.00 0.00 46.02 43.66 1wnb n GLY 355 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wnb s ASN 356 N 0.00 4.78 0.00 1.61 0.02 -1.26 -4.93 114.94 115.16 1wnb s ASN 356 Ca 0.00 -0.01 0.00 0.00 -1.02 0.00 0.00 52.86 51.83 1wnb s ASN 356 Cb 0.00 -0.62 0.00 0.00 0.02 0.00 0.00 41.25 40.65 1wnb s ASN 356 CO 0.00 -1.54 0.00 0.61 0.02 0.00 0.00 177.10 176.19 1wnb n GLY 357 N -2.69 -2.37 2.75 0.66 0.00 -1.20 -4.58 105.19 97.76 1wnb n GLY 357 Ca 0.11 -1.42 -0.36 0.00 0.00 0.00 0.00 46.02 44.34 1wnb n GLY 357 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1wnb n TYR 358 N -1.57 3.25 -3.16 1.61 4.01 0.40 -4.84 117.16 116.85 1wnb n TYR 358 Ca 0.00 -3.07 -0.39 0.00 -0.16 0.00 0.00 57.90 54.28 1wnb n TYR 358 Cb 0.00 -0.93 -0.05 0.00 -0.31 0.00 0.00 39.34 38.05 1wnb n TYR 358 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1wnb s TYR 359 N -4.01 3.61 0.06 -0.72 1.51 -1.26 0.83 117.35 117.36 1wnb s TYR 359 Ca 0.43 1.16 0.08 0.00 -1.01 0.00 0.00 57.07 57.73 1wnb s TYR 359 Cb 0.23 -2.68 -0.03 0.00 -0.11 0.00 0.00 41.96 39.37 1wnb s TYR 359 CO -0.14 0.21 -0.19 -0.47 -1.11 0.00 0.00 175.55 173.84 1wnb s TYR 360 N 0.38 2.54 0.45 2.71 5.04 -1.26 -1.44 117.35 125.76 1wnb s TYR 360 Ca 0.33 -0.27 -0.24 0.00 -2.44 0.00 0.00 57.07 54.45 1wnb s TYR 360 Cb -0.17 -1.43 -0.07 0.00 0.35 0.00 0.00 41.96 40.63 1wnb s TYR 360 CO 0.16 0.27 1.21 0.00 -1.34 0.00 0.00 175.55 175.85 1wnb s ALA 361 N -0.96 3.04 0.13 3.97 0.00 0.39 -4.85 121.76 123.47 1wnb s ALA 361 Ca 0.15 1.03 -0.31 0.00 0.00 0.00 0.00 51.96 52.83 1wnb s ALA 361 Cb -0.10 -3.42 -0.08 0.00 0.00 0.00 0.00 23.12 19.51 1wnb s ALA 361 CO 0.06 -0.74 1.41 -1.25 0.00 0.00 0.00 175.76 175.24 1wnb s PRO 362 N -2.57 4.31 -0.01 0.00 0.04 -1.26 -4.34 135.00 131.16 1wnb s PRO 362 Ca 0.62 2.12 0.04 0.00 0.04 0.00 0.00 61.00 63.82 1wnb s PRO 362 Cb -0.32 -3.23 -0.01 0.00 0.04 0.00 0.00 34.50 30.99 1wnb s PRO 362 CO 0.39 -0.45 -0.12 0.99 0.04 0.00 0.00 177.00 177.85 1wnb s THR 363 N 1.04 0.97 -0.04 1.26 2.01 -0.43 -3.25 115.64 117.20 1wnb s THR 363 Ca 0.65 -0.52 0.02 0.00 0.31 0.00 0.00 61.69 62.15 1wnb s THR 363 Cb -0.38 -0.81 0.01 0.00 0.01 0.00 0.00 72.50 71.33 1wnb s THR 363 CO 0.31 0.28 -0.10 -0.22 -0.69 0.00 0.00 174.62 174.19 1wnb s LEU 364 N -0.25 1.70 -0.07 4.42 2.96 -0.69 -1.46 118.68 125.29 1wnb s LEU 364 Ca 0.04 -0.23 0.03 0.00 -0.22 0.00 0.00 54.13 53.75 1wnb s LEU 364 Cb -0.05 -0.66 0.01 0.00 0.50 0.00 0.00 46.19 45.99 1wnb s LEU 364 CO -0.00 0.05 -0.16 -0.76 -1.32 0.00 0.00 176.35 174.15 1wnb s LEU 365 N 0.40 1.81 0.25 -0.68 1.43 -0.14 -0.25 118.68 121.50 1wnb s LEU 365 Ca -0.07 -0.38 0.11 0.00 -1.03 0.00 0.00 54.13 52.75 1wnb s LEU 365 Cb -0.12 -1.01 -0.05 0.00 0.03 0.00 0.00 46.19 45.04 1wnb s LEU 365 CO 0.01 0.09 -0.19 0.00 0.23 0.00 0.00 176.35 176.49 1wnb s ALA 366 N 0.49 2.52 0.00 4.21 0.00 0.12 -0.32 121.76 128.79 1wnb s ALA 366 Ca -0.14 -1.80 0.00 0.00 0.00 0.00 0.00 51.96 50.02 1wnb s ALA 366 Cb -0.16 -0.22 0.00 0.00 0.00 0.00 0.00 23.12 22.74 1wnb s ALA 366 CO 0.05 0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.45 1wnb n GLY 367 N -0.48 0.40 3.72 0.00 0.00 -0.58 -1.63 105.19 106.63 1wnb n GLY 367 Ca -0.06 -1.04 -0.41 0.00 0.00 0.00 0.00 46.02 44.50 1wnb n GLY 367 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wnb s ALA 368 N -2.00 3.24 0.16 4.61 0.00 -0.82 -4.36 121.76 122.60 1wnb s ALA 368 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 51.96 52.58 1wnb s ALA 368 Cb 0.00 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 1wnb s ALA 368 CO 0.00 -0.15 0.34 -0.51 0.00 0.00 0.00 175.76 175.44 1wnb s LEU 369 N 0.37 4.28 0.30 0.00 1.43 -1.26 -4.11 118.68 119.70 1wnb s LEU 369 Ca 0.50 0.33 0.06 0.00 -1.03 0.00 0.00 54.13 53.99 1wnb s LEU 369 Cb -0.24 -3.08 0.81 0.00 0.03 0.00 0.00 46.19 43.72 1wnb s LEU 369 CO 0.30 0.02 1.68 -0.61 0.23 0.00 0.00 176.35 177.96 1wnb h GLN 370 N 2.23 0.34 -0.24 1.70 5.75 -1.96 -0.36 115.11 122.57 1wnb h GLN 370 Ca -0.48 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.00 1wnb h GLN 370 Cb 1.19 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 29.66 1wnb h GLN 370 CO 0.69 0.22 0.00 -0.25 -2.65 0.00 0.00 178.83 176.85 1wnb n ASP 371 N -5.08 1.71 -4.77 -0.69 8.00 -1.26 -4.55 116.55 109.91 1wnb n ASP 371 Ca 0.24 -1.83 -0.38 0.00 0.71 0.00 0.00 54.79 53.54 1wnb n ASP 371 Cb 0.74 -0.16 -0.03 0.00 -0.02 0.00 0.00 41.12 41.65 1wnb n ASP 371 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1wnb s ASP 372 N -1.32 6.71 0.45 -2.24 1.01 -0.15 -4.90 116.67 116.23 1wnb s ASP 372 Ca 0.28 2.22 0.12 0.00 0.71 0.00 0.00 52.55 55.88 1wnb s ASP 372 Cb 0.15 -2.60 1.03 0.00 1.01 0.00 0.00 42.92 42.50 1wnb s ASP 372 CO 0.22 -0.54 2.06 0.00 0.21 0.00 0.00 175.17 177.12 1wnb h ALA 373 N 2.74 1.78 -0.28 5.23 0.00 -1.91 -0.79 119.26 126.03 1wnb h ALA 373 Ca -0.48 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.37 1wnb h ALA 373 Cb 1.22 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1wnb h ALA 373 CO 0.63 0.17 0.19 0.97 0.00 0.00 0.00 179.25 181.21 1wnb h ILE 374 N 0.19 1.05 0.11 0.00 6.09 -1.90 0.27 117.51 123.31 1wnb h ILE 374 Ca 0.05 -0.12 -0.30 0.00 -1.37 0.00 0.00 64.86 63.12 1wnb h ILE 374 Cb 0.11 0.68 -0.01 0.00 0.47 0.00 0.00 36.82 38.06 1wnb h ILE 374 CO -0.00 0.06 -1.51 0.58 -3.07 0.00 0.00 178.15 174.21 1wnb h VAL 375 N 0.34 1.17 0.00 2.19 2.07 -1.47 -3.40 116.25 117.15 1wnb h VAL 375 Ca 0.11 -2.83 -0.08 0.00 0.82 0.00 0.00 66.70 64.72 1wnb h VAL 375 Cb 0.03 2.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.53 1wnb h VAL 375 CO -0.02 0.81 -1.48 0.00 0.02 0.00 0.00 177.57 176.90 1wnb n GLN 376 N -3.43 0.63 -5.07 1.57 1.13 -0.43 -4.91 117.38 106.87 1wnb n GLN 376 Ca -0.15 0.07 -0.30 0.00 -1.94 0.00 0.00 57.00 54.67 1wnb n GLN 376 Cb 1.04 -1.73 -0.15 0.00 0.11 0.00 0.00 30.24 29.51 1wnb n GLN 376 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1wnb s LYS 377 N -3.19 1.90 0.16 -1.09 1.02 0.06 -4.84 119.74 113.75 1wnb s LYS 377 Ca -0.04 -1.01 -0.30 0.00 0.02 0.00 0.00 55.97 54.63 1wnb s LYS 377 Cb 0.10 -1.97 -0.08 0.00 -0.52 0.00 0.00 37.83 35.36 1wnb s LYS 377 CO 0.83 0.52 1.28 -2.00 -0.92 0.00 0.00 175.35 175.06 1wnb s GLU 378 N -0.95 4.41 -0.22 1.68 2.12 -1.26 -4.71 118.70 119.76 1wnb s GLU 378 Ca 0.11 1.98 0.10 0.00 0.36 0.00 0.00 54.97 57.51 1wnb s GLU 378 Cb -0.10 -3.24 -0.20 0.00 0.26 0.00 0.00 34.13 30.85 1wnb s GLU 378 CO 0.01 -0.25 -0.08 0.28 -0.54 0.00 0.00 175.26 174.68 1wnb n VAL 379 N 3.05 1.41 -2.42 3.70 0.31 -1.26 -5.01 118.33 118.11 1wnb n VAL 379 Ca 0.07 -0.70 -0.18 0.00 -0.01 0.00 0.00 64.34 63.53 1wnb n VAL 379 Cb 0.44 -0.94 -0.00 0.00 -0.91 0.00 0.00 33.84 32.43 1wnb n VAL 379 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1wnb n PHE 380 N -2.99 -0.95 -4.13 3.52 7.35 -1.26 -4.75 117.46 114.25 1wnb n PHE 380 Ca -0.39 0.07 -0.07 0.00 -0.76 0.00 0.00 57.45 56.30 1wnb n PHE 380 Cb 1.06 -3.55 -0.03 0.00 0.35 0.00 0.00 39.48 37.32 1wnb n PHE 380 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1wnb n GLY 381 N -1.08 3.72 2.53 7.13 0.00 -1.23 -3.89 105.19 112.37 1wnb n GLY 381 Ca -0.19 -1.84 -0.40 0.00 0.00 0.00 0.00 46.02 43.59 1wnb n GLY 381 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wnb n PRO 382 N -0.25 3.48 -3.72 1.61 -0.04 -0.48 -4.15 135.00 131.44 1wnb n PRO 382 Ca 0.01 -2.59 -0.15 0.00 -0.04 0.00 0.00 63.50 60.73 1wnb n PRO 382 Cb 0.21 -2.97 -0.15 0.00 -0.04 0.00 0.00 33.50 30.54 1wnb n PRO 382 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1wnb s VAL 383 N 2.05 -0.12 -0.05 0.52 1.01 -1.26 -1.31 120.40 121.24 1wnb s VAL 383 Ca 0.57 0.24 0.03 0.00 0.00 0.00 0.00 61.98 62.82 1wnb s VAL 383 Cb 0.16 -0.25 0.01 0.00 0.00 0.00 0.00 36.38 36.30 1wnb s VAL 383 CO -0.07 0.10 -0.13 -0.69 0.00 0.00 0.00 175.10 174.31 1wnb s VAL 384 N 1.53 1.17 0.05 2.92 1.01 -0.53 -4.80 120.40 121.74 1wnb s VAL 384 Ca -0.05 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.42 1wnb s VAL 384 Cb -0.12 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 1wnb s VAL 384 CO -0.06 0.35 0.06 -0.94 0.00 0.00 0.00 175.10 174.52 1wnb s SER 385 N 0.41 5.45 -0.08 3.32 1.04 -0.72 -0.97 113.70 122.14 1wnb s SER 385 Ca -0.10 0.01 0.03 0.00 0.48 0.00 0.00 55.95 56.37 1wnb s SER 385 Cb -0.13 -1.47 0.01 0.00 0.10 0.00 0.00 66.02 64.53 1wnb s SER 385 CO 0.03 0.21 -0.16 -0.69 0.98 0.00 0.00 173.24 173.61 1wnb s VAL 386 N -1.29 1.49 -0.15 5.02 1.01 0.57 -1.04 120.40 126.01 1wnb s VAL 386 Ca 0.26 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.58 1wnb s VAL 386 Cb -0.12 -1.33 0.01 0.00 0.00 0.00 0.00 36.38 34.94 1wnb s VAL 386 CO 0.18 0.44 -0.20 -0.89 0.00 0.00 0.00 175.10 174.62 1wnb s THR 387 N 0.62 1.96 0.36 3.92 2.01 0.16 -1.52 115.64 123.14 1wnb s THR 387 Ca -0.15 -0.91 -0.26 0.00 0.31 0.00 0.00 61.69 60.68 1wnb s THR 387 Cb -0.16 -1.75 -0.09 0.00 0.01 0.00 0.00 72.50 70.50 1wnb s THR 387 CO 0.05 0.53 1.12 -2.16 -0.69 0.00 0.00 174.62 173.46 1wnb s PRO 388 N 1.00 4.29 0.18 4.92 0.04 -1.26 -1.33 135.00 142.84 1wnb s PRO 388 Ca -0.03 1.75 0.04 0.00 0.04 0.00 0.00 61.00 62.79 1wnb s PRO 388 Cb -0.15 -2.82 -0.05 0.00 0.04 0.00 0.00 34.50 31.53 1wnb s PRO 388 CO -0.05 -0.09 -0.06 -0.59 0.04 0.00 0.00 177.00 176.25 1wnb s PHE 389 N -1.39 1.36 -0.25 0.56 -0.12 -1.01 -4.85 117.98 112.28 1wnb s PHE 389 Ca 0.53 -0.85 -0.09 0.00 -0.05 0.00 0.00 56.93 56.47 1wnb s PHE 389 Cb -0.29 -0.74 -0.16 0.00 -0.63 0.00 0.00 43.02 41.20 1wnb s PHE 389 CO 0.37 0.00 -0.18 -0.25 -0.05 0.00 0.00 175.22 175.11 1wnb n ASP 390 N -0.28 1.97 -3.89 1.98 8.00 -1.26 -1.19 116.55 121.88 1wnb n ASP 390 Ca -0.08 0.19 -0.09 0.00 0.71 0.00 0.00 54.79 55.52 1wnb n ASP 390 Cb 0.62 -0.71 -0.08 0.00 -0.02 0.00 0.00 41.12 40.93 1wnb n ASP 390 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1wnb s ASN 391 N -7.07 0.17 0.16 -2.24 4.22 -1.26 -4.79 114.94 104.12 1wnb s ASN 391 Ca -0.35 -0.66 -0.22 0.00 -2.14 0.00 0.00 52.86 49.49 1wnb s ASN 391 Cb 0.11 0.30 0.06 0.00 1.28 0.00 0.00 41.25 43.01 1wnb s ASN 391 CO 0.56 -0.67 1.61 -0.08 -2.04 0.00 0.00 177.10 176.48 1wnb h GLU 392 N 2.96 -0.23 -0.07 3.55 4.81 -1.99 -1.46 114.58 122.15 1wnb h GLU 392 Ca -0.34 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 58.92 1wnb h GLU 392 Cb 1.19 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 1wnb h GLU 392 CO 0.56 -0.15 -0.02 1.49 -0.73 0.00 0.00 179.01 180.16 1wnb h GLU 393 N -0.24 -0.00 -0.93 1.92 4.57 -1.99 -1.00 114.58 116.90 1wnb h GLU 393 Ca 0.17 0.00 0.04 0.00 -1.18 0.00 0.00 59.36 58.39 1wnb h GLU 393 Cb 0.51 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.04 1wnb h GLU 393 CO -0.50 -0.00 0.60 0.37 -1.18 0.00 0.00 179.01 178.30 1wnb h GLN 394 N -0.00 1.11 0.00 1.92 4.15 -1.94 -1.97 115.11 118.38 1wnb h GLN 394 Ca 0.03 -0.07 -0.15 0.00 0.77 0.00 0.00 58.65 59.23 1wnb h GLN 394 Cb 0.05 -0.25 -0.02 0.00 0.21 0.00 0.00 27.48 27.47 1wnb h GLN 394 CO -0.07 0.74 -0.73 -0.24 -1.93 0.00 0.00 178.83 176.59 1wnb h VAL 395 N 1.15 1.28 -0.19 2.39 3.04 -1.01 -1.77 116.25 121.13 1wnb h VAL 395 Ca 0.38 -2.75 -0.10 0.00 -1.01 0.00 0.00 66.70 63.22 1wnb h VAL 395 Cb 0.05 2.60 -0.00 0.00 -2.01 0.00 0.00 31.29 31.93 1wnb h VAL 395 CO -0.14 0.72 -0.28 0.58 -1.01 0.00 0.00 177.57 177.44 1wnb h VAL 396 N 0.00 1.34 -0.95 1.51 2.07 -0.97 -0.01 116.25 119.24 1wnb h VAL 396 Ca -0.01 -1.49 0.00 0.00 0.82 0.00 0.00 66.70 66.03 1wnb h VAL 396 Cb 1.54 1.84 -0.05 0.00 -1.52 0.00 0.00 31.29 33.11 1wnb h VAL 396 CO 0.10 0.45 0.60 0.78 0.02 0.00 0.00 177.57 179.52 1wnb h ASN 397 N 0.19 1.12 0.49 0.57 2.35 -1.36 -1.08 115.58 117.85 1wnb h ASN 397 Ca 0.02 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.69 1wnb h ASN 397 Cb 0.85 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.95 1wnb h ASN 397 CO 0.06 0.84 -0.24 -0.50 -1.65 0.00 0.00 177.43 175.95 1wnb h TRP 398 N 1.30 -0.61 -0.83 1.19 6.55 -1.16 -1.13 115.95 121.26 1wnb h TRP 398 Ca 0.34 -0.01 0.19 0.00 0.95 0.00 0.00 58.89 60.36 1wnb h TRP 398 Cb -0.10 0.20 -0.12 0.00 -0.86 0.00 0.00 29.16 28.29 1wnb h TRP 398 CO 0.00 -0.32 0.31 0.00 -1.05 0.00 0.00 178.44 177.38 1wnb h ALA 399 N -0.35 1.24 0.00 1.49 0.00 -0.79 -2.07 119.26 118.78 1wnb h ALA 399 Ca -0.07 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1wnb h ALA 399 Cb 0.57 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1wnb h ALA 399 CO 0.11 -0.33 -0.23 -0.91 0.00 0.00 0.00 179.25 177.90 1wnb h ASN 400 N 0.36 0.00 -0.90 0.00 2.35 -1.10 -3.37 115.58 112.92 1wnb h ASN 400 Ca 0.50 -0.07 -0.72 0.00 -0.55 0.00 0.00 56.30 55.46 1wnb h ASN 400 Cb 0.90 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 39.17 1wnb h ASN 400 CO -0.52 0.03 2.37 -0.67 -1.65 0.00 0.00 177.43 177.00 1wnb n ASP 401 N -2.31 4.64 -3.84 5.81 2.03 -0.44 -4.88 116.55 117.57 1wnb n ASP 401 Ca 0.05 -2.96 -0.11 0.00 0.52 0.00 0.00 54.79 52.29 1wnb n ASP 401 Cb 0.45 -1.60 -0.08 0.00 -0.72 0.00 0.00 41.12 39.16 1wnb n ASP 401 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1wnb s SER 402 N 2.57 0.02 0.01 1.67 0.15 -1.26 -4.96 113.70 111.91 1wnb s SER 402 Ca 0.45 -0.34 0.25 0.00 0.70 0.00 0.00 55.95 57.01 1wnb s SER 402 Cb 0.08 0.29 0.50 0.00 -1.71 0.00 0.00 66.02 65.19 1wnb s SER 402 CO -0.02 -0.55 1.41 0.00 1.20 0.00 0.00 173.24 175.29 1wnb n GLN 403 N 0.74 0.04 -3.01 5.44 10.64 -1.26 -4.90 117.38 125.06 1wnb n GLN 403 Ca -0.19 0.01 -0.26 0.00 -1.83 0.00 0.00 57.00 54.73 1wnb n GLN 403 Cb 0.59 -1.52 -0.01 0.00 -0.86 0.00 0.00 30.24 28.44 1wnb n GLN 403 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 1wnb s TYR 404 N -3.02 3.53 0.00 2.61 2.02 -1.26 -1.10 117.35 120.12 1wnb s TYR 404 Ca 0.10 0.60 0.01 0.00 -0.37 0.00 0.00 57.07 57.41 1wnb s TYR 404 Cb 0.17 -2.11 0.02 0.00 -0.40 0.00 0.00 41.96 39.64 1wnb s TYR 404 CO 0.70 -0.07 0.78 0.41 -1.57 0.00 0.00 175.55 175.79 1wnb n GLY 405 N -1.96 0.75 0.11 0.71 0.00 -1.22 -4.85 105.19 98.72 1wnb n GLY 405 Ca -0.02 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 1wnb n GLY 405 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1wnb n LEU 406 N 0.02 1.95 -3.87 0.99 7.94 -1.26 -0.90 117.00 121.86 1wnb n LEU 406 Ca -0.13 0.39 -0.09 0.00 -1.11 0.00 0.00 56.01 55.07 1wnb n LEU 406 Cb 0.62 -0.98 -0.05 0.00 0.53 0.00 0.00 43.42 43.55 1wnb n LEU 406 CO -0.07 0.35 0.18 0.00 -1.11 0.00 0.00 177.39 176.75 1wnb s ALA 407 N -2.39 -0.52 -0.18 1.96 0.00 -1.26 -2.17 121.76 117.19 1wnb s ALA 407 Ca -0.29 -0.57 -0.35 0.00 0.00 0.00 0.00 51.96 50.76 1wnb s ALA 407 Cb 0.06 0.91 0.14 0.00 0.00 0.00 0.00 23.12 24.23 1wnb s ALA 407 CO 0.60 -0.78 1.21 -1.54 0.00 0.00 0.00 175.76 175.25 1wnb s SER 408 N -2.94 -0.13 0.06 0.00 1.04 -0.91 -4.08 113.70 106.74 1wnb s SER 408 Ca 0.15 -0.01 -0.07 0.00 0.48 0.00 0.00 55.95 56.50 1wnb s SER 408 Cb 0.00 0.14 -0.01 0.00 0.10 0.00 0.00 66.02 66.25 1wnb s SER 408 CO 0.01 -0.23 0.13 -0.94 0.98 0.00 0.00 173.24 173.19 1wnb s SER 409 N -2.21 0.18 -0.04 7.02 1.04 -0.73 -1.17 113.70 117.79 1wnb s SER 409 Ca 0.10 -0.64 0.04 0.00 0.48 0.00 0.00 55.95 55.93 1wnb s SER 409 Cb -0.01 0.28 -0.00 0.00 0.10 0.00 0.00 66.02 66.39 1wnb s SER 409 CO -0.05 -0.63 -0.17 0.54 0.98 0.00 0.00 173.24 173.92 1wnb s VAL 410 N -3.38 1.40 -0.26 5.02 0.11 -0.10 -0.37 120.40 122.82 1wnb s VAL 410 Ca 0.01 -0.70 0.02 0.00 -2.93 0.00 0.00 61.98 58.39 1wnb s VAL 410 Cb 0.03 -1.21 0.05 0.00 -1.53 0.00 0.00 36.38 33.73 1wnb s VAL 410 CO -0.08 0.41 -0.10 0.26 -3.33 0.00 0.00 175.10 172.25 1wnb s TRP 411 N 0.07 3.23 -0.11 1.54 0.52 0.19 -0.91 118.94 123.47 1wnb s TRP 411 Ca -0.04 -2.20 -0.30 0.00 0.02 0.00 0.00 56.10 53.58 1wnb s TRP 411 Cb -0.12 -1.96 0.08 0.00 -1.15 0.00 0.00 33.47 30.33 1wnb s TRP 411 CO 0.02 -0.86 0.76 -0.08 0.02 0.00 0.00 176.95 176.81 1wnb s THR 412 N 1.14 0.00 -0.44 2.01 -1.32 -1.26 -1.57 115.64 114.20 1wnb s THR 412 Ca -0.07 0.00 0.23 0.00 -1.21 0.00 0.00 61.69 60.64 1wnb s THR 412 Cb -0.19 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 69.85 1wnb s THR 412 CO -0.05 0.00 1.22 0.11 -2.21 0.00 0.00 174.62 173.69 1wnb h LYS 413 N 3.24 0.00 -6.44 7.08 1.57 -1.93 -3.46 116.57 116.63 1wnb h LYS 413 Ca -0.26 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.98 1wnb h LYS 413 Cb 1.15 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.47 1wnb h LYS 413 CO 0.32 0.00 0.82 0.34 -0.57 0.00 0.00 179.45 180.36 1wnb s ASP 414 N -4.89 6.81 0.14 0.86 2.15 -1.26 -4.95 116.67 115.53 1wnb s ASP 414 Ca 0.03 2.22 -0.15 0.00 0.43 0.00 0.00 52.55 55.09 1wnb s ASP 414 Cb 0.11 -2.57 0.02 0.00 -0.30 0.00 0.00 42.92 40.18 1wnb s ASP 414 CO 0.75 -0.72 1.69 0.58 -0.17 0.00 0.00 175.17 177.29 1wnb h VAL 415 N 4.71 1.21 0.46 1.11 2.07 -2.00 -2.08 116.25 121.73 1wnb h VAL 415 Ca -0.40 -0.67 -0.02 0.00 0.82 0.00 0.00 66.70 66.43 1wnb h VAL 415 Cb 1.19 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1wnb h VAL 415 CO 0.89 0.25 -0.22 1.23 0.02 0.00 0.00 177.57 179.74 1wnb h GLY 416 N 0.60 -0.65 0.29 2.17 0.00 -2.00 -2.34 103.07 101.14 1wnb h GLY 416 Ca 0.15 0.24 0.08 0.00 0.00 0.00 0.00 47.33 47.80 1wnb h GLY 416 CO -0.01 -0.24 -0.02 -0.09 0.00 0.00 0.00 176.54 176.19 1wnb h ARG 417 N -0.84 0.09 -0.98 4.80 2.43 -1.98 -0.75 114.38 117.16 1wnb h ARG 417 Ca -0.06 -0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.23 1wnb h ARG 417 Cb 0.57 -0.02 -0.09 0.00 -0.42 0.00 0.00 29.97 30.01 1wnb h ARG 417 CO 0.10 0.06 0.60 0.00 -1.51 0.00 0.00 179.97 179.23 1wnb h ALA 418 N 1.38 1.48 -0.14 2.80 0.00 -1.33 0.20 119.26 123.65 1wnb h ALA 418 Ca 0.21 0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.95 1wnb h ALA 418 Cb 0.31 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1wnb h ALA 418 CO -0.36 0.18 -0.73 0.45 0.00 0.00 0.00 179.25 178.78 1wnb h HIS 419 N 0.94 0.88 -0.16 0.00 3.86 -0.78 -1.93 115.15 117.95 1wnb h HIS 419 Ca 0.49 -0.38 0.01 0.00 -1.16 0.00 0.00 60.37 59.33 1wnb h HIS 419 Cb 0.52 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.84 1wnb h HIS 419 CO -0.01 1.18 0.09 0.00 0.86 0.00 0.00 177.93 180.04 1wnb h ARG 420 N 0.46 0.18 -0.14 2.45 3.08 -0.82 -1.10 114.38 118.48 1wnb h ARG 420 Ca -0.04 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 59.94 1wnb h ARG 420 Cb 1.34 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.35 1wnb h ARG 420 CO 0.14 0.12 -0.16 0.28 -1.07 0.00 0.00 179.97 179.28 1wnb h VAL 421 N 0.18 1.35 -0.69 2.04 2.07 -1.04 -2.52 116.25 117.65 1wnb h VAL 421 Ca 0.06 -1.35 0.15 0.00 0.82 0.00 0.00 66.70 66.38 1wnb h VAL 421 Cb -0.00 1.91 -0.10 0.00 -1.52 0.00 0.00 31.29 31.58 1wnb h VAL 421 CO -0.03 0.40 0.14 0.28 0.02 0.00 0.00 177.57 178.38 1wnb h SER 422 N -0.02 -0.03 0.04 0.57 0.02 -1.36 -1.55 113.55 111.21 1wnb h SER 422 Ca 0.02 0.14 -0.05 0.00 -0.84 0.00 0.00 61.79 61.06 1wnb h SER 422 Cb 0.71 0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.43 1wnb h SER 422 CO 0.04 -0.04 -0.15 0.00 -1.14 0.00 0.00 176.83 175.54 1wnb h ALA 423 N 1.58 1.47 0.00 3.77 0.00 -1.08 -3.26 119.26 121.74 1wnb h ALA 423 Ca 0.38 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 1wnb h ALA 423 Cb 0.63 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1wnb h ALA 423 CO -0.49 0.38 -1.38 0.54 0.00 0.00 0.00 179.25 178.29 1wnb n ARG 424 N -4.25 0.62 -1.93 0.00 1.74 -0.67 -4.93 116.66 107.23 1wnb n ARG 424 Ca -0.01 0.18 -0.42 0.00 -0.77 0.00 0.00 57.85 56.83 1wnb n ARG 424 Cb 0.29 -1.79 -0.03 0.00 -1.02 0.00 0.00 32.46 29.91 1wnb n ARG 424 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1wnb s LEU 425 N -5.62 4.37 -1.16 0.55 1.43 -0.68 -4.89 118.68 112.68 1wnb s LEU 425 Ca -0.03 2.69 -0.03 0.00 -1.03 0.00 0.00 54.13 55.73 1wnb s LEU 425 Cb 0.09 -3.61 0.23 0.00 0.03 0.00 0.00 46.19 42.93 1wnb s LEU 425 CO 0.81 -0.80 2.04 0.00 0.23 0.00 0.00 176.35 178.63 1wnb n GLN 426 N 3.18 5.02 -4.15 1.70 6.02 -1.26 -4.92 117.38 122.97 1wnb n GLN 426 Ca 0.11 -4.14 -0.16 0.00 -0.01 0.00 0.00 57.00 52.79 1wnb n GLN 426 Cb 0.39 -2.55 -0.12 0.00 1.02 0.00 0.00 30.24 28.98 1wnb n GLN 426 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1wnb s TYR 427 N -2.86 0.94 0.51 1.08 1.51 -1.26 -4.58 117.35 112.70 1wnb s TYR 427 Ca 0.45 -0.44 0.19 0.00 -1.01 0.00 0.00 57.07 56.26 1wnb s TYR 427 Cb 0.18 -0.55 1.28 0.00 -0.11 0.00 0.00 41.96 42.76 1wnb s TYR 427 CO -0.10 -0.01 2.08 0.78 -1.11 0.00 0.00 175.55 177.19 1wnb h GLY 428 N 4.58 0.07 -5.53 0.71 0.00 -0.70 -3.42 103.07 98.77 1wnb h GLY 428 Ca -0.38 -0.02 -0.22 0.00 0.00 0.00 0.00 47.33 46.71 1wnb h GLY 428 CO 0.41 0.02 -0.70 0.00 0.00 0.00 0.00 176.54 176.27 1wnb s THR 430 N -0.01 0.50 0.18 0.00 2.01 -1.26 -2.14 115.64 114.93 1wnb s THR 430 Ca -0.00 0.02 -0.11 0.00 0.31 0.00 0.00 61.69 61.91 1wnb s THR 430 Cb -0.00 -0.62 -0.07 0.00 0.01 0.00 0.00 72.50 71.82 1wnb s THR 430 CO 0.00 0.27 0.52 0.26 -0.69 0.00 0.00 174.62 174.98 1wnb s TRP 431 N 1.78 3.51 -0.28 4.92 0.51 -0.32 -4.97 118.94 124.09 1wnb s TRP 431 Ca 0.03 0.91 -0.05 0.00 -2.12 0.00 0.00 56.10 54.86 1wnb s TRP 431 Cb -0.13 -2.27 0.01 0.00 -0.81 0.00 0.00 33.47 30.27 1wnb s TRP 431 CO -0.05 0.37 0.04 0.08 -0.51 0.00 0.00 176.95 176.87 1wnb s VAL 432 N -1.63 3.66 -1.59 4.03 1.01 -1.26 -0.92 120.40 123.70 1wnb s VAL 432 Ca 0.42 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.65 1wnb s VAL 432 Cb -0.13 -2.86 0.00 0.00 0.00 0.00 0.00 36.38 33.39 1wnb s VAL 432 CO 0.20 0.14 0.00 0.59 0.00 0.00 0.00 175.10 176.03 1wnb n ASN 433 N 4.81 -4.85 -1.02 3.32 3.02 -0.08 -4.93 115.26 115.52 1wnb n ASN 433 Ca -0.15 0.28 -0.00 0.00 -0.03 0.00 0.00 54.58 54.68 1wnb n ASN 433 Cb 0.48 -3.81 0.00 0.00 -0.61 0.00 0.00 39.78 35.84 1wnb n ASN 433 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 1wnb n THR 434 N -2.93 0.00 -3.67 3.41 5.66 -1.26 -5.03 114.28 110.45 1wnb n THR 434 Ca -0.17 -0.01 -0.10 0.00 -3.05 0.00 0.00 64.05 60.72 1wnb n THR 434 Cb 0.55 0.01 -0.03 0.00 -1.55 0.00 0.00 70.33 69.32 1wnb n THR 434 CO 0.00 0.00 0.00 -2.28 -3.05 0.00 0.00 175.07 169.74 1wnb s HIS 435 N -8.43 -0.28 0.00 1.09 2.46 -1.26 -4.69 115.29 104.17 1wnb s HIS 435 Ca 0.00 -0.05 0.00 0.00 0.47 0.00 0.00 55.06 55.48 1wnb s HIS 435 Cb -0.00 0.54 0.00 0.00 -0.13 0.00 0.00 32.58 32.99 1wnb s HIS 435 CO 0.00 -0.99 0.00 0.34 -2.47 0.00 0.00 174.74 171.62 1wnb n PHE 436 N -0.39 0.00 -2.62 3.88 -0.00 -1.26 -4.97 117.46 112.10 1wnb n PHE 436 Ca -0.11 0.00 -0.42 0.00 -0.00 0.00 0.00 57.45 56.92 1wnb n PHE 436 Cb 0.62 0.00 -0.03 0.00 -0.00 0.00 0.00 39.48 40.08 1wnb n PHE 436 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.76 175.12 1wnb s MET 437 N -0.13 4.45 0.04 -4.13 1.00 -1.26 -5.03 119.30 114.25 1wnb s MET 437 Ca 0.00 1.50 0.07 0.00 0.00 0.00 0.00 55.69 57.27 1wnb s MET 437 Cb 0.00 -3.49 -0.03 0.00 0.00 0.00 0.00 34.83 31.31 1wnb s MET 437 CO 0.00 -0.25 -0.21 -0.51 0.00 0.00 0.00 175.02 174.05 1wnb s LEU 438 N 1.60 2.17 0.08 -0.03 1.43 -1.26 -5.10 118.68 117.57 1wnb s LEU 438 Ca 0.52 -0.52 0.07 0.00 -1.03 0.00 0.00 54.13 53.17 1wnb s LEU 438 Cb -0.22 -0.98 -0.03 0.00 0.03 0.00 0.00 46.19 44.99 1wnb s LEU 438 CO 0.23 0.16 -0.20 0.68 0.23 0.00 0.00 176.35 177.46 1wnb s VAL 439 N -0.80 1.60 0.60 -1.59 -7.23 -1.26 -5.05 120.40 106.67 1wnb s VAL 439 Ca 0.08 -1.40 0.31 0.00 -1.81 0.00 0.00 61.98 59.16 1wnb s VAL 439 Cb -0.09 -1.45 0.37 0.00 0.56 0.00 0.00 36.38 35.77 1wnb s VAL 439 CO 0.02 -0.00 2.23 0.28 -0.31 0.00 0.00 175.10 177.32 1wnb h SER 440 N 4.36 0.00 1.72 4.85 0.02 -1.96 -2.26 113.55 120.28 1wnb h SER 440 Ca -0.44 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1wnb h SER 440 Cb 1.18 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.72 1wnb h SER 440 CO 0.41 0.00 -0.02 -0.33 -1.14 0.00 0.00 176.83 175.75 1wnb h GLU 441 N 0.00 0.00 -5.59 3.45 3.07 -1.96 0.05 114.58 113.60 1wnb h GLU 441 Ca 0.02 0.00 -0.65 0.00 -0.50 0.00 0.00 59.36 58.23 1wnb h GLU 441 Cb 0.12 0.00 -0.19 0.00 -0.84 0.00 0.00 28.75 27.84 1wnb h GLU 441 CO -0.00 0.02 -0.65 -1.64 -1.40 0.00 0.00 179.01 175.33 1wnb s MET 442 N -3.33 3.39 0.38 2.33 -1.94 -0.85 -4.21 119.30 115.07 1wnb s MET 442 Ca 0.05 -0.48 -0.26 0.00 -1.71 0.00 0.00 55.69 53.29 1wnb s MET 442 Cb 0.06 -2.86 -0.09 0.00 2.01 0.00 0.00 34.83 33.95 1wnb s MET 442 CO 0.64 0.42 1.14 -1.25 -0.01 0.00 0.00 175.02 175.96 1wnb s PRO 443 N -0.12 4.18 -0.20 2.03 0.04 -1.26 -4.23 135.00 135.43 1wnb s PRO 443 Ca 0.03 1.78 -0.01 0.00 0.04 0.00 0.00 61.00 62.85 1wnb s PRO 443 Cb -0.13 -2.75 0.01 0.00 0.04 0.00 0.00 34.50 31.68 1wnb s PRO 443 CO 0.02 -0.20 -0.14 -1.58 0.04 0.00 0.00 177.00 175.15 1wnb s HIS 444 N -1.41 2.85 0.00 0.56 2.46 -0.30 -4.92 115.29 114.54 1wnb s HIS 444 Ca 0.55 -1.37 0.00 0.00 0.47 0.00 0.00 55.06 54.70 1wnb s HIS 444 Cb -0.30 -1.99 0.00 0.00 -0.13 0.00 0.00 32.58 30.16 1wnb s HIS 444 CO 0.37 -0.71 0.00 0.41 -2.47 0.00 0.00 174.74 172.35 1wnb n GLY 445 N 4.69 1.15 0.00 1.59 0.00 -1.26 -0.86 105.19 110.50 1wnb n GLY 445 Ca -0.20 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1wnb n GLY 445 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wnb n GLY 446 N -0.35 3.39 3.44 -0.02 0.00 -1.26 -3.91 105.19 106.49 1wnb n GLY 446 Ca 0.00 -2.10 -0.15 0.00 0.00 0.00 0.00 46.02 43.78 1wnb n GLY 446 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1wnb s GLN 447 N 0.09 1.78 2.76 1.61 -2.07 -1.09 -4.22 119.66 118.53 1wnb s GLN 447 Ca 0.00 -1.73 0.00 0.00 -1.82 0.00 0.00 55.36 51.81 1wnb s GLN 447 Cb 0.00 0.41 0.00 0.00 -1.09 0.00 0.00 33.01 32.33 1wnb s GLN 447 CO 0.00 -0.72 0.00 1.63 -1.32 0.00 0.00 175.29 174.88 1wnb n LYS 448 N -0.52 0.00 0.13 9.60 5.02 -1.26 -1.94 118.16 129.19 1wnb n LYS 448 Ca 0.02 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.43 1wnb n LYS 448 Cb 0.62 0.00 0.49 0.00 -0.02 0.00 0.00 35.03 36.12 1wnb n LYS 448 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1wnb n LEU 449 N 0.00 0.71 0.33 -0.35 4.32 -0.26 -1.37 117.00 120.38 1wnb n LEU 449 Ca 0.00 0.67 0.22 0.00 -0.02 0.00 0.00 56.01 56.88 1wnb n LEU 449 Cb 0.00 -0.56 1.13 0.00 -1.62 0.00 0.00 43.42 42.37 1wnb n LEU 449 CO 0.00 -0.55 1.15 0.28 -1.22 0.00 0.00 177.39 177.06 1wnb h SER 450 N 0.00 0.00 0.00 -1.43 0.02 -1.47 -3.42 113.55 107.25 1wnb h SER 450 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1wnb h SER 450 Cb 0.40 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.94 1wnb h SER 450 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 1wnb n GLY 451 N -0.91 0.06 3.52 -3.77 0.00 -0.47 0.50 105.19 104.12 1wnb n GLY 451 Ca -0.02 -2.05 -0.10 0.00 0.00 0.00 0.00 46.02 43.85 1wnb n GLY 451 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1wnb s TYR 452 N 0.00 -0.40 0.00 1.61 -0.85 -0.20 -2.96 117.35 114.55 1wnb s TYR 452 Ca 0.00 0.43 0.00 0.00 -0.52 0.00 0.00 57.07 56.98 1wnb s TYR 452 Cb 0.00 0.50 0.00 0.00 0.38 0.00 0.00 41.96 42.84 1wnb s TYR 452 CO 0.00 -0.51 0.00 0.41 -1.52 0.00 0.00 175.55 173.93 1wnb n GLY 453 N 0.15 2.51 3.30 5.49 0.00 -1.26 -2.34 105.19 113.03 1wnb n GLY 453 Ca -0.11 -1.84 -0.27 0.00 0.00 0.00 0.00 46.02 43.80 1wnb n GLY 453 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wnb s LYS 454 N -3.46 1.51 -0.01 1.61 -0.14 -1.26 -4.16 119.74 113.83 1wnb s LYS 454 Ca 0.00 -1.05 0.03 0.00 -1.36 0.00 0.00 55.97 53.58 1wnb s LYS 454 Cb 0.00 -1.69 -0.03 0.00 -1.68 0.00 0.00 37.83 34.43 1wnb s LYS 454 CO 0.00 0.43 -0.06 -0.51 -0.76 0.00 0.00 175.35 174.44 1wnb s ASP 455 N -1.33 4.65 0.26 2.83 1.01 -0.04 -4.14 116.67 119.91 1wnb s ASP 455 Ca 0.09 -0.11 0.00 0.00 0.71 0.00 0.00 52.55 53.24 1wnb s ASP 455 Cb -0.09 -1.11 0.00 0.00 1.01 0.00 0.00 42.92 42.73 1wnb s ASP 455 CO 0.02 0.30 0.00 0.23 0.21 0.00 0.00 175.17 175.93 1wnb n MET 456 N 1.68 -1.92 -1.39 8.23 2.81 -1.26 -1.14 117.12 124.12 1wnb n MET 456 Ca -0.16 1.35 0.17 0.00 -1.81 0.00 0.00 57.70 57.26 1wnb n MET 456 Cb 0.53 -2.31 -0.08 0.00 -0.71 0.00 0.00 33.22 30.65 1wnb n MET 456 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1wnb n SER 457 N -3.36 -8.02 -0.27 7.83 3.41 0.00 -2.36 113.62 110.86 1wnb n SER 457 Ca -0.01 1.19 0.20 0.00 -0.26 0.00 0.00 58.87 59.99 1wnb n SER 457 Cb 0.42 -4.64 0.51 0.00 -0.26 0.00 0.00 64.21 60.24 1wnb n SER 457 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1wnb h LEU 458 N -1.35 0.42 -1.06 1.04 3.38 -1.87 -0.98 115.31 114.88 1wnb h LEU 458 Ca -0.13 0.05 0.04 0.00 0.09 0.00 0.00 57.88 57.93 1wnb h LEU 458 Cb 1.32 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.99 1wnb h LEU 458 CO 0.06 0.15 0.63 1.88 0.09 0.00 0.00 178.44 181.25 1wnb h TYR 459 N 0.41 1.17 -0.83 1.13 0.05 -1.94 -0.41 116.97 116.54 1wnb h TYR 459 Ca 0.50 0.03 0.05 0.00 0.05 0.00 0.00 58.73 59.37 1wnb h TYR 459 Cb 1.26 -0.39 -0.05 0.00 1.01 0.00 0.00 36.73 38.56 1wnb h TYR 459 CO -0.00 0.66 0.55 0.78 -1.05 0.00 0.00 178.16 179.10 1wnb h GLY 460 N 1.19 1.18 1.42 3.88 0.00 -0.79 -1.09 103.07 108.87 1wnb h GLY 460 Ca 0.39 -0.38 -0.25 0.00 0.00 0.00 0.00 47.33 47.08 1wnb h GLY 460 CO -0.13 0.30 -1.05 -2.00 0.00 0.00 0.00 176.54 173.66 1wnb h LEU 461 N 0.96 0.67 -1.43 3.11 5.85 -1.16 -3.31 115.31 120.00 1wnb h LEU 461 Ca 0.35 -0.57 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 1wnb h LEU 461 Cb 0.15 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 1wnb h LEU 461 CO -0.12 1.38 0.24 -0.33 -0.34 0.00 0.00 178.44 179.27 1wnb h GLU 462 N 0.26 0.62 0.00 1.25 5.08 0.09 -1.69 114.58 120.19 1wnb h GLU 462 Ca -0.12 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1wnb h GLU 462 Cb 1.71 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.83 1wnb h GLU 462 CO 0.19 0.47 0.08 -0.44 -1.00 0.00 0.00 179.01 178.31 1wnb h ASP 463 N 0.63 0.00 -0.39 1.42 3.32 -1.41 -2.47 116.42 117.51 1wnb h ASP 463 Ca 0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1wnb h ASP 463 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1wnb h ASP 463 CO -0.03 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.27 1wnb n TYR 464 N -2.81 1.32 -4.38 4.55 4.01 -0.64 -4.97 117.16 114.24 1wnb n TYR 464 Ca -0.02 -0.79 -0.23 0.00 -0.16 0.00 0.00 57.90 56.70 1wnb n TYR 464 Cb 0.14 -0.36 -0.11 0.00 -0.31 0.00 0.00 39.34 38.70 1wnb n TYR 464 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1wnb s THR 465 N -2.63 2.04 -0.14 -0.72 -4.23 -0.93 -4.00 115.64 105.02 1wnb s THR 465 Ca 0.46 -2.07 -0.03 0.00 -1.18 0.00 0.00 61.69 58.88 1wnb s THR 465 Cb 0.35 -2.01 -0.02 0.00 1.34 0.00 0.00 72.50 72.16 1wnb s THR 465 CO 0.13 -0.32 -0.06 0.54 -0.54 0.00 0.00 174.62 174.37 1wnb s VAL 466 N -2.16 3.69 0.08 2.29 0.11 0.20 -4.93 120.40 119.69 1wnb s VAL 466 Ca 0.20 -0.43 -0.30 0.00 -2.93 0.00 0.00 61.98 58.52 1wnb s VAL 466 Cb -0.05 -2.60 -0.05 0.00 -1.53 0.00 0.00 36.38 32.14 1wnb s VAL 466 CO 0.09 0.51 1.09 -0.69 -3.33 0.00 0.00 175.10 172.76 1wnb s VAL 467 N 0.29 4.28 0.04 2.04 1.01 -1.26 -1.45 120.40 125.35 1wnb s VAL 467 Ca -0.05 1.74 0.05 0.00 0.00 0.00 0.00 61.98 63.72 1wnb s VAL 467 Cb -0.14 -4.11 -0.02 0.00 0.00 0.00 0.00 36.38 32.10 1wnb s VAL 467 CO 0.04 0.19 -0.14 -0.13 0.00 0.00 0.00 175.10 175.06 1wnb s ARG 468 N 0.57 0.89 -0.20 2.72 0.52 -0.42 -4.98 118.95 118.06 1wnb s ARG 468 Ca 0.53 -0.77 -0.03 0.00 -0.52 0.00 0.00 55.73 54.94 1wnb s ARG 468 Cb -0.26 -0.89 -0.01 0.00 0.52 0.00 0.00 34.95 34.30 1wnb s ARG 468 CO 0.30 0.22 -0.06 -1.58 0.02 0.00 0.00 175.30 174.20 1wnb s HIS 469 N -0.91 2.94 -0.13 -0.53 5.65 -1.26 -1.29 115.29 119.76 1wnb s HIS 469 Ca 0.01 -0.83 0.02 0.00 0.25 0.00 0.00 55.06 54.50 1wnb s HIS 469 Cb -0.08 -2.05 0.00 0.00 -1.18 0.00 0.00 32.58 29.27 1wnb s HIS 469 CO 0.01 -0.45 -0.19 0.08 -0.65 0.00 0.00 174.74 173.54 1wnb s VAL 470 N 1.19 2.36 -0.13 0.89 1.01 -0.61 -5.00 120.40 120.11 1wnb s VAL 470 Ca 0.02 -0.89 -0.00 0.00 0.00 0.00 0.00 61.98 61.11 1wnb s VAL 470 Cb -0.14 -1.96 0.03 0.00 0.00 0.00 0.00 36.38 34.30 1wnb s VAL 470 CO -0.01 0.54 -0.09 -0.32 0.00 0.00 0.00 175.10 175.22 1wnb s MET 471 N 0.66 1.68 -0.25 2.72 1.75 -1.26 -1.36 119.30 123.24 1wnb s MET 471 Ca -0.10 -0.36 -0.06 0.00 -1.25 0.00 0.00 55.69 53.93 1wnb s MET 471 Cb -0.16 -1.76 -0.02 0.00 2.84 0.00 0.00 34.83 35.73 1wnb s MET 471 CO 0.02 -0.28 0.04 0.08 -0.65 0.00 0.00 175.02 174.22 1wnb s VAL 472 N 1.65 3.98 0.22 10.11 1.01 0.53 -4.92 120.40 132.99 1wnb s VAL 472 Ca 0.04 -0.33 -0.30 0.00 0.00 0.00 0.00 61.98 61.39 1wnb s VAL 472 Cb -0.13 -2.87 -0.09 0.00 0.00 0.00 0.00 36.38 33.28 1wnb s VAL 472 CO -0.09 0.33 1.36 -0.75 0.00 0.00 0.00 175.10 175.96 1wnb s LYS 473 N 1.56 4.34 0.00 2.72 2.20 -1.26 -0.50 119.74 128.79 1wnb s LYS 473 Ca 0.06 2.16 0.32 0.00 -0.36 0.00 0.00 55.97 58.14 1wnb s LYS 473 Cb -0.15 -3.16 1.90 0.00 -1.51 0.00 0.00 37.83 34.91 1wnb s LYS 473 CO 0.01 -0.32 2.22 0.72 -0.36 0.00 0.00 175.35 177.63