#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wnh s PHE -1 N 0.00 2.54 0.12 0.00 5.36 -1.26 -5.00 117.98 119.74 1wnh s PHE -1 Ca 0.00 -0.45 0.10 0.00 -0.96 0.00 0.00 56.93 55.62 1wnh s PHE -1 Cb 0.00 -4.46 -0.04 0.00 -0.34 0.00 0.00 43.02 38.18 1wnh s PHE -1 CO 0.00 -1.83 -0.23 0.95 -1.46 0.00 0.00 175.22 172.65 1wnh s THR 0 N 4.69 2.49 -0.24 0.12 -4.23 -1.26 -4.54 115.64 112.66 1wnh s THR 0 Ca 0.30 -1.62 -0.07 0.00 -1.18 0.00 0.00 61.69 59.12 1wnh s THR 0 Cb -0.11 -2.11 -0.03 0.00 1.34 0.00 0.00 72.50 71.60 1wnh s THR 0 CO 0.09 0.12 0.05 -0.32 -0.54 0.00 0.00 174.62 174.02 1wnh s MET 1 N -2.02 3.65 0.26 3.99 1.75 0.43 -4.90 119.30 122.46 1wnh s MET 1 Ca 0.15 -0.48 -0.29 0.00 -1.25 0.00 0.00 55.69 53.81 1wnh s MET 1 Cb -0.10 -3.27 -0.09 0.00 2.84 0.00 0.00 34.83 34.21 1wnh s MET 1 CO 0.07 -0.13 1.27 -1.21 -0.65 0.00 0.00 175.02 174.37 1wnh s GLU 2 N 1.45 4.42 0.19 4.11 0.41 -1.26 -0.63 118.70 127.39 1wnh s GLU 2 Ca 0.05 2.07 0.08 0.00 -0.41 0.00 0.00 54.97 56.76 1wnh s GLU 2 Cb -0.15 -3.15 -0.04 0.00 -1.78 0.00 0.00 34.13 29.01 1wnh s GLU 2 CO 0.03 -0.14 -0.15 0.96 -0.49 0.00 0.00 175.26 175.47 1wnh s ILE 3 N -0.60 1.72 0.27 -1.63 -4.36 -0.27 -4.90 121.20 111.42 1wnh s ILE 3 Ca 0.51 -2.12 -0.31 0.00 -0.26 0.00 0.00 60.65 58.48 1wnh s ILE 3 Cb -0.37 -1.96 -0.12 0.00 1.25 0.00 0.00 42.46 41.26 1wnh s ILE 3 CO 0.44 -0.53 1.59 -2.65 0.24 0.00 0.00 174.94 174.04 1wnh n PRO 4 N -0.18 2.62 0.11 0.37 -0.02 -1.26 -4.22 135.00 132.41 1wnh n PRO 4 Ca -0.10 0.93 0.18 0.00 -2.02 0.00 0.00 63.50 62.50 1wnh n PRO 4 Cb 0.59 -2.71 0.74 0.00 -0.02 0.00 0.00 33.50 32.11 1wnh n PRO 4 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1wnh h PRO 5 N 5.05 0.00 -0.38 0.52 0.11 -1.88 0.52 132.00 135.94 1wnh h PRO 5 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1wnh h PRO 5 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1wnh h PRO 5 CO 0.82 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.86 1wnh n THR 6 N -4.08 0.49 -1.94 -1.15 -2.24 -1.26 -4.40 114.28 99.72 1wnh n THR 6 Ca 0.06 -0.63 -0.39 0.00 -2.27 0.00 0.00 64.05 60.81 1wnh n THR 6 Cb 0.47 0.63 0.01 0.00 -2.10 0.00 0.00 70.33 69.34 1wnh n THR 6 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1wnh s HIS 7 N -1.51 2.60 0.46 4.78 5.04 0.17 -4.80 115.29 122.04 1wnh s HIS 7 Ca 0.37 1.37 0.17 0.00 -1.54 0.00 0.00 55.06 55.42 1wnh s HIS 7 Cb 0.20 -3.75 1.13 0.00 0.04 0.00 0.00 32.58 30.21 1wnh s HIS 7 CO 0.28 -2.47 1.98 0.10 -2.34 0.00 0.00 174.74 172.30 1wnh h TYR 8 N 2.25 0.31 -0.32 3.88 -0.00 -1.92 -0.88 116.97 120.30 1wnh h TYR 8 Ca -0.50 0.01 -0.12 0.00 0.00 0.00 0.00 58.73 58.12 1wnh h TYR 8 Cb 1.26 -0.10 -0.01 0.00 0.00 0.00 0.00 36.73 37.88 1wnh h TYR 8 CO 0.51 0.14 -0.28 0.00 -0.00 0.00 0.00 178.16 178.52 1wnh h ALA 9 N 1.72 0.91 -0.31 0.10 0.00 -1.94 -0.33 119.26 119.41 1wnh h ALA 9 Ca 0.27 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 1wnh h ALA 9 Cb 0.67 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1wnh h ALA 9 CO -0.06 0.62 -0.12 0.00 0.00 0.00 0.00 179.25 179.69 1wnh h ALA 10 N 1.12 0.43 -0.31 0.00 0.00 -1.49 -1.47 119.26 117.54 1wnh h ALA 10 Ca 0.07 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.68 1wnh h ALA 10 Cb 0.77 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1wnh h ALA 10 CO 0.06 0.30 0.19 0.77 0.00 0.00 0.00 179.25 180.57 1wnh h SER 11 N 0.39 0.32 -0.63 0.00 0.02 -1.06 0.00 113.55 112.58 1wnh h SER 11 Ca 0.07 -0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.96 1wnh h SER 11 Cb 0.63 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 63.08 1wnh h SER 11 CO 0.04 0.23 0.17 0.03 -1.14 0.00 0.00 176.83 176.16 1wnh h ARG 12 N 0.39 1.03 -0.42 3.45 3.08 -1.02 -1.08 114.38 119.81 1wnh h ARG 12 Ca 0.12 -0.23 -0.15 0.00 0.07 0.00 0.00 59.98 59.79 1wnh h ARG 12 Cb -0.01 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 1wnh h ARG 12 CO -0.05 0.91 -0.33 0.00 -1.07 0.00 0.00 179.97 179.43 1wnh h ALA 13 N 1.20 0.61 -0.28 0.04 0.00 -1.04 -2.05 119.26 117.73 1wnh h ALA 13 Ca 0.21 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 1wnh h ALA 13 Cb 0.33 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1wnh h ALA 13 CO -0.00 0.67 -0.03 0.00 0.00 0.00 0.00 179.25 179.90 1wnh h ALA 14 N 0.80 1.43 -0.45 0.00 0.00 -0.80 -1.00 119.26 119.25 1wnh h ALA 14 Ca 0.08 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 1wnh h ALA 14 Cb 0.92 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1wnh h ALA 14 CO 0.09 0.40 -0.17 1.03 0.00 0.00 0.00 179.25 180.59 1wnh h SER 15 N 0.42 0.87 -0.55 0.00 0.87 -0.79 0.56 113.55 114.93 1wnh h SER 15 Ca 0.09 -0.30 -0.04 0.00 -1.23 0.00 0.00 61.79 60.31 1wnh h SER 15 Cb 0.32 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 1wnh h SER 15 CO 0.01 1.03 0.18 0.58 -0.53 0.00 0.00 176.83 178.10 1wnh h VAL 16 N 0.76 1.23 -0.84 2.23 2.07 -0.74 -0.05 116.25 120.90 1wnh h VAL 16 Ca 0.11 -0.78 -0.00 0.00 0.82 0.00 0.00 66.70 66.85 1wnh h VAL 16 Cb 0.70 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 1wnh h VAL 16 CO 0.05 0.29 0.51 0.00 0.02 0.00 0.00 177.57 178.44 1wnh h ALA 17 N 1.04 1.08 -0.68 1.67 0.00 -0.71 -1.60 119.26 120.06 1wnh h ALA 17 Ca 0.18 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1wnh h ALA 17 Cb 0.27 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1wnh h ALA 17 CO -0.01 0.54 0.43 1.49 0.00 0.00 0.00 179.25 181.70 1wnh h GLU 18 N 1.16 0.91 -0.49 0.00 4.81 -0.45 0.65 114.58 121.18 1wnh h GLU 18 Ca 0.30 -0.07 0.04 0.00 -0.13 0.00 0.00 59.36 59.50 1wnh h GLU 18 Cb -0.05 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 29.10 1wnh h GLU 18 CO -0.06 0.63 0.25 -0.91 -0.73 0.00 0.00 179.01 178.20 1wnh h ASN 19 N 0.92 0.38 -0.27 1.04 -0.26 -0.34 0.15 115.58 117.20 1wnh h ASN 19 Ca 0.25 0.02 -0.03 0.00 -0.56 0.00 0.00 56.30 55.98 1wnh h ASN 19 Cb -0.06 -0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 37.14 1wnh h ASN 19 CO -0.05 0.26 0.05 0.00 -1.06 0.00 0.00 177.43 176.63 1wnh h ILE 21 N 0.26 0.97 -0.36 0.00 2.04 -0.52 -0.08 117.51 119.82 1wnh h ILE 21 Ca 0.08 -0.24 -0.14 0.00 1.00 0.00 0.00 64.86 65.56 1wnh h ILE 21 Cb 0.33 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 1wnh h ILE 21 CO 0.00 0.13 -0.32 0.78 0.00 0.00 0.00 178.15 178.75 1wnh h ASN 22 N 0.71 0.84 -0.38 1.72 2.35 -0.84 0.56 115.58 120.54 1wnh h ASN 22 Ca 0.31 -0.35 -0.11 0.00 -0.55 0.00 0.00 56.30 55.60 1wnh h ASN 22 Cb 0.19 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 1wnh h ASN 22 CO -0.18 1.08 -0.16 0.22 -1.65 0.00 0.00 177.43 176.74 1wnh h TYR 23 N 0.67 0.95 0.01 1.19 3.20 -0.74 0.11 116.97 122.36 1wnh h TYR 23 Ca 0.07 -0.20 -0.25 0.00 3.14 0.00 0.00 58.73 61.49 1wnh h TYR 23 Cb 0.86 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.86 1wnh h TYR 23 CO 0.05 0.94 -1.32 1.96 -1.64 0.00 0.00 178.16 178.15 1wnh h GLN 24 N 0.75 0.02 -0.00 1.82 4.20 -0.87 -3.40 115.11 117.63 1wnh h GLN 24 Ca 0.11 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.79 1wnh h GLN 24 Cb 0.68 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.47 1wnh h GLN 24 CO 0.05 0.81 -0.05 1.04 -0.67 0.00 0.00 178.83 180.01 1wnh n GLN 25 N -3.24 4.85 -2.24 1.46 1.13 0.20 -5.03 117.38 114.50 1wnh n GLN 25 Ca -0.08 -0.14 -0.28 0.00 -1.94 0.00 0.00 57.00 54.56 1wnh n GLN 25 Cb 0.99 -0.67 0.03 0.00 0.11 0.00 0.00 30.24 30.70 1wnh n GLN 25 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1wnh s GLY 26 N -0.91 1.61 0.29 1.08 0.00 0.37 -4.93 107.32 104.82 1wnh s GLY 26 Ca 0.01 -0.55 -0.05 0.00 0.00 0.00 0.00 44.72 44.12 1wnh s GLY 26 CO 0.05 -0.26 0.40 -0.51 0.00 0.00 0.00 173.10 172.79 1wnh s THR 27 N -3.09 0.00 0.47 0.90 -4.23 0.14 -4.86 115.64 104.98 1wnh s THR 27 Ca 0.55 -1.63 0.26 0.00 -1.18 0.00 0.00 61.69 59.69 1wnh s THR 27 Cb -0.11 -2.47 0.26 0.00 1.34 0.00 0.00 72.50 71.52 1wnh s THR 27 CO 0.47 0.00 1.78 -0.65 -0.54 0.00 0.00 174.62 175.68 1wnh h PRO 28 N 2.25 0.00 0.00 3.99 0.11 -1.86 -0.30 132.00 136.19 1wnh h PRO 28 Ca -0.29 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.77 1wnh h PRO 28 Cb 1.24 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.25 1wnh h PRO 28 CO 0.40 0.00 -0.56 0.72 -0.21 0.00 0.00 178.00 178.35 1wnh n HIS 29 N -2.67 0.00 -3.59 0.65 8.25 -1.26 -4.45 115.22 112.16 1wnh n HIS 29 Ca -0.02 -1.04 -0.08 0.00 -0.26 0.00 0.00 57.72 56.33 1wnh n HIS 29 Cb 0.34 -0.19 -0.09 0.00 1.12 0.00 0.00 29.99 31.17 1wnh n HIS 29 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1wnh s LYS 30 N -2.06 0.35 -0.06 -0.41 2.20 -0.12 -4.52 119.74 115.11 1wnh s LYS 30 Ca 0.33 0.98 -0.06 0.00 -0.36 0.00 0.00 55.97 56.86 1wnh s LYS 30 Cb 0.33 0.24 0.01 0.00 -1.51 0.00 0.00 37.83 36.90 1wnh s LYS 30 CO -0.07 -0.33 0.16 -1.17 -0.36 0.00 0.00 175.35 173.58 1wnh s LEU 31 N 2.63 1.41 -0.04 5.43 2.96 -1.26 -0.68 118.68 129.12 1wnh s LEU 31 Ca 0.01 0.29 0.00 0.00 -0.22 0.00 0.00 54.13 54.22 1wnh s LEU 31 Cb -0.13 0.55 -0.03 0.00 0.50 0.00 0.00 46.19 47.08 1wnh s LEU 31 CO -0.14 -0.07 -0.01 -0.36 -1.32 0.00 0.00 176.35 174.45 1wnh s PHE 32 N 0.00 3.07 -0.05 5.38 0.08 -1.26 -0.66 117.98 124.54 1wnh s PHE 32 Ca -0.01 0.10 0.02 0.00 0.12 0.00 0.00 56.93 57.16 1wnh s PHE 32 Cb -0.01 -1.71 0.02 0.00 -0.57 0.00 0.00 43.02 40.74 1wnh s PHE 32 CO 0.00 0.44 -0.08 -1.17 -0.10 0.00 0.00 175.22 174.31 1wnh s LEU 33 N -1.22 1.49 0.22 -0.37 2.96 -0.19 -4.91 118.68 116.65 1wnh s LEU 33 Ca 0.16 -0.21 -0.32 0.00 -0.22 0.00 0.00 54.13 53.54 1wnh s LEU 33 Cb -0.11 -0.64 -0.13 0.00 0.50 0.00 0.00 46.19 45.81 1wnh s LEU 33 CO 0.06 -0.01 1.62 0.52 -1.32 0.00 0.00 176.35 177.22 1wnh n VAL 34 N 3.93 0.33 -0.04 1.68 0.31 -1.26 -1.05 118.33 122.22 1wnh n VAL 34 Ca -0.24 -0.08 -0.04 0.00 -0.01 0.00 0.00 64.34 63.97 1wnh n VAL 34 Cb 0.51 -1.80 -0.01 0.00 -0.91 0.00 0.00 33.84 31.63 1wnh n VAL 34 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1wnh n GLN 35 N 3.21 0.24 -4.11 5.55 7.27 0.56 -4.86 117.38 125.24 1wnh n GLN 35 Ca 0.14 0.14 -0.18 0.00 0.07 0.00 0.00 57.00 57.17 1wnh n GLN 35 Cb 0.33 -0.98 -0.16 0.00 2.41 0.00 0.00 30.24 31.85 1wnh n GLN 35 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 1wnh s THR 36 N -1.85 0.41 -0.18 1.69 2.01 -1.22 -4.98 115.64 111.52 1wnh s THR 36 Ca -0.13 -0.10 -0.21 0.00 0.31 0.00 0.00 61.69 61.56 1wnh s THR 36 Cb 0.02 -0.43 -0.03 0.00 0.01 0.00 0.00 72.50 72.07 1wnh s THR 36 CO 0.19 0.17 0.65 -0.69 -0.69 0.00 0.00 174.62 174.25 1wnh s VAL 37 N 0.62 5.01 -0.15 3.82 1.01 -1.26 -1.13 120.40 128.32 1wnh s VAL 37 Ca -0.07 1.24 0.09 0.00 0.00 0.00 0.00 61.98 63.24 1wnh s VAL 37 Cb -0.11 -3.97 -0.23 0.00 0.00 0.00 0.00 36.38 32.08 1wnh s VAL 37 CO -0.00 0.12 0.24 0.00 0.00 0.00 0.00 175.10 175.45 1wnh n GLN 38 N 4.93 0.68 -3.71 2.72 6.02 0.94 -4.80 117.38 124.16 1wnh n GLN 38 Ca -0.01 0.16 -0.14 0.00 -0.01 0.00 0.00 57.00 56.99 1wnh n GLN 38 Cb 0.50 -1.63 -0.08 0.00 1.02 0.00 0.00 30.24 30.04 1wnh n GLN 38 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1wnh s GLN 39 N -2.54 0.72 -0.13 -1.09 -0.44 -0.87 -4.85 119.66 110.45 1wnh s GLN 39 Ca -0.15 0.06 -0.19 0.00 -2.50 0.00 0.00 55.36 52.58 1wnh s GLN 39 Cb 0.07 0.33 0.05 0.00 -1.64 0.00 0.00 33.01 31.82 1wnh s GLN 39 CO 0.78 -0.19 0.48 0.00 0.50 0.00 0.00 175.29 176.86 1wnh s ALA 40 N -0.99 -1.21 0.04 1.58 0.00 -1.26 -1.69 121.76 118.22 1wnh s ALA 40 Ca -0.10 1.16 -0.08 0.00 0.00 0.00 0.00 51.96 52.93 1wnh s ALA 40 Cb -0.04 -0.51 -0.00 0.00 0.00 0.00 0.00 23.12 22.58 1wnh s ALA 40 CO 0.05 -0.26 0.16 -1.54 0.00 0.00 0.00 175.76 174.17 1wnh s SER 41 N -0.29 0.08 -0.03 0.00 1.04 -0.51 -1.11 113.70 112.88 1wnh s SER 41 Ca -0.04 -0.41 0.07 0.00 0.48 0.00 0.00 55.95 56.04 1wnh s SER 41 Cb -0.03 0.27 -0.01 0.00 0.10 0.00 0.00 66.02 66.34 1wnh s SER 41 CO 0.03 -0.54 -0.23 -0.75 0.98 0.00 0.00 173.24 172.73 1wnh s LYS 42 N -2.54 2.13 -0.07 4.02 2.20 0.20 -1.04 119.74 124.63 1wnh s LYS 42 Ca -0.05 -0.84 -0.01 0.00 -0.36 0.00 0.00 55.97 54.71 1wnh s LYS 42 Cb -0.01 -1.93 0.03 0.00 -1.51 0.00 0.00 37.83 34.40 1wnh s LYS 42 CO -0.04 0.44 -0.01 -2.00 -0.36 0.00 0.00 175.35 173.37 1wnh s GLU 43 N -0.35 0.75 -0.11 4.03 2.12 0.65 -0.43 118.70 125.36 1wnh s GLU 43 Ca 0.03 0.04 -0.28 0.00 0.36 0.00 0.00 54.97 55.12 1wnh s GLU 43 Cb -0.11 -1.03 -0.02 0.00 0.26 0.00 0.00 34.13 33.23 1wnh s GLU 43 CO 0.01 -0.27 0.93 0.34 -0.54 0.00 0.00 175.26 175.73 1wnh s ASP 44 N 1.80 7.15 -0.27 -1.70 3.68 -1.26 0.13 116.67 126.20 1wnh s ASP 44 Ca 0.03 1.41 -0.00 0.00 2.13 0.00 0.00 52.55 56.12 1wnh s ASP 44 Cb -0.13 -2.52 0.04 0.00 -1.45 0.00 0.00 42.92 38.87 1wnh s ASP 44 CO -0.05 -0.39 -0.06 -0.63 0.13 0.00 0.00 175.17 174.17 1wnh s ILE 45 N 1.88 2.67 -0.07 4.11 1.01 0.23 -4.96 121.20 126.07 1wnh s ILE 45 Ca 0.45 -1.33 -0.39 0.00 0.00 0.00 0.00 60.65 59.38 1wnh s ILE 45 Cb -0.18 -2.47 -0.17 0.00 0.01 0.00 0.00 42.46 39.65 1wnh s ILE 45 CO 0.17 0.04 1.43 -2.65 0.00 0.00 0.00 174.94 173.93 1wnh n PRO 46 N 4.58 0.90 -0.94 2.79 -0.02 -1.26 -0.93 135.00 140.11 1wnh n PRO 46 Ca -0.15 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 1wnh n PRO 46 Cb 0.44 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 1wnh n PRO 46 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wnh n GLY 47 N 2.93 0.09 0.00 -1.23 0.00 -1.26 -4.72 105.19 100.99 1wnh n GLY 47 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1wnh n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wnh n ARG 48 N 0.07 2.66 0.00 1.61 1.74 -0.11 -4.97 116.66 117.66 1wnh n ARG 48 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1wnh n ARG 48 Cb 0.37 -0.88 0.00 0.00 -1.02 0.00 0.00 32.46 30.93 1wnh n ARG 48 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wnh n GLY 49 N 2.47 0.59 3.21 -0.13 0.00 -0.73 -3.77 105.19 106.84 1wnh n GLY 49 Ca 0.00 -1.86 -0.32 0.00 0.00 0.00 0.00 46.02 43.84 1wnh n GLY 49 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1wnh s HIS 50 N -2.16 2.65 -0.15 1.61 3.76 -0.34 -0.60 115.29 120.07 1wnh s HIS 50 Ca 0.00 -1.15 -0.04 0.00 -0.15 0.00 0.00 55.06 53.71 1wnh s HIS 50 Cb 0.00 -1.79 -0.03 0.00 1.11 0.00 0.00 32.58 31.87 1wnh s HIS 50 CO 0.00 -0.50 -0.01 0.21 -0.85 0.00 0.00 174.74 173.59 1wnh s LYS 51 N 0.61 3.68 -0.14 1.40 2.20 0.12 -1.18 119.74 126.43 1wnh s LYS 51 Ca -0.12 -0.47 -0.03 0.00 -0.36 0.00 0.00 55.97 54.99 1wnh s LYS 51 Cb -0.16 -2.97 -0.03 0.00 -1.51 0.00 0.00 37.83 33.15 1wnh s LYS 51 CO 0.03 0.30 -0.02 0.71 -0.36 0.00 0.00 175.35 176.01 1wnh s TYR 52 N 0.24 3.07 -0.15 4.03 2.02 0.83 -0.26 117.35 127.13 1wnh s TYR 52 Ca -0.01 -0.13 -0.04 0.00 -0.37 0.00 0.00 57.07 56.52 1wnh s TYR 52 Cb -0.13 -1.92 -0.03 0.00 -0.40 0.00 0.00 41.96 39.47 1wnh s TYR 52 CO 0.02 0.12 0.00 -1.01 -1.57 0.00 0.00 175.55 173.11 1wnh s HIS 53 N 0.04 3.13 0.03 2.71 3.76 -0.21 -1.11 115.29 123.64 1wnh s HIS 53 Ca 0.01 -0.06 0.01 0.00 -0.15 0.00 0.00 55.06 54.87 1wnh s HIS 53 Cb -0.13 -1.96 -0.02 0.00 1.11 0.00 0.00 32.58 31.58 1wnh s HIS 53 CO 0.02 0.14 -0.05 -0.51 -0.85 0.00 0.00 174.74 173.50 1wnh s LEU 54 N 0.07 2.27 -0.06 0.89 1.43 0.48 -1.42 118.68 122.34 1wnh s LEU 54 Ca 0.02 -0.56 0.01 0.00 -1.03 0.00 0.00 54.13 52.57 1wnh s LEU 54 Cb -0.13 0.02 0.02 0.00 0.03 0.00 0.00 46.19 46.13 1wnh s LEU 54 CO 0.02 -0.30 -0.08 -0.54 0.23 0.00 0.00 176.35 175.68 1wnh s LYS 55 N -1.73 1.28 0.10 1.70 1.02 -0.68 -0.71 119.74 120.72 1wnh s LYS 55 Ca -0.12 -0.24 -0.21 0.00 0.02 0.00 0.00 55.97 55.42 1wnh s LYS 55 Cb -0.08 -1.19 0.05 0.00 -0.52 0.00 0.00 37.83 36.08 1wnh s LYS 55 CO -0.01 -0.08 0.50 -0.59 -0.92 0.00 0.00 175.35 174.25 1wnh s PHE 56 N 0.99 -0.38 0.15 3.18 -0.12 -0.60 -0.04 117.98 121.15 1wnh s PHE 56 Ca -0.09 0.26 -0.03 0.00 -0.05 0.00 0.00 56.93 57.01 1wnh s PHE 56 Cb -0.15 0.36 -0.05 0.00 -0.63 0.00 0.00 43.02 42.56 1wnh s PHE 56 CO 0.00 -0.71 0.36 -1.54 -0.05 0.00 0.00 175.22 173.29 1wnh s SER 57 N -2.40 6.45 0.07 1.98 1.04 -0.29 0.34 113.70 120.89 1wnh s SER 57 Ca -0.01 0.52 0.05 0.00 0.48 0.00 0.00 55.95 56.98 1wnh s SER 57 Cb 0.00 -2.06 -0.03 0.00 0.10 0.00 0.00 66.02 64.03 1wnh s SER 57 CO -0.07 0.04 -0.14 0.68 0.98 0.00 0.00 173.24 174.73 1wnh s VAL 58 N -1.69 1.05 -0.00 5.02 -7.23 0.25 -0.33 120.40 117.47 1wnh s VAL 58 Ca 0.40 -1.28 0.08 0.00 -1.81 0.00 0.00 61.98 59.37 1wnh s VAL 58 Cb -0.12 -1.02 -0.02 0.00 0.56 0.00 0.00 36.38 35.77 1wnh s VAL 58 CO 0.26 -0.24 -0.26 -1.83 -0.31 0.00 0.00 175.10 172.72 1wnh s GLU 59 N -1.72 2.00 -0.30 4.82 -1.05 -0.22 -1.13 118.70 121.10 1wnh s GLU 59 Ca -0.03 -0.96 -0.25 0.00 -0.15 0.00 0.00 54.97 53.59 1wnh s GLU 59 Cb -0.10 -1.99 0.00 0.00 -0.44 0.00 0.00 34.13 31.61 1wnh s GLU 59 CO 0.02 0.54 0.86 -2.00 0.95 0.00 0.00 175.26 175.62 1wnh s GLU 60 N -0.76 4.02 0.03 -4.83 -6.30 -0.42 -1.02 118.70 109.43 1wnh s GLU 60 Ca 0.10 0.75 0.23 0.00 -2.50 0.00 0.00 54.97 53.56 1wnh s GLU 60 Cb -0.10 -3.72 0.19 0.00 0.00 0.00 0.00 34.13 30.51 1wnh s GLU 60 CO -0.00 -0.70 1.17 0.44 0.02 0.00 0.00 175.26 176.19 1wnh n ILE 61 N 5.55 0.11 -0.07 -3.70 -5.35 0.17 -2.49 119.36 113.57 1wnh n ILE 61 Ca 0.06 -0.13 -0.13 0.00 -0.27 0.00 0.00 62.75 62.28 1wnh n ILE 61 Cb 0.48 0.30 -0.10 0.00 -1.74 0.00 0.00 39.64 38.57 1wnh n ILE 61 CO 0.00 0.00 0.00 0.40 -1.76 0.00 0.00 176.55 175.19 1wnh h ILE 62 N 0.00 1.22 0.00 7.28 2.04 -1.87 -3.36 117.51 122.82 1wnh h ILE 62 Ca 0.00 -2.02 -0.17 0.00 1.00 0.00 0.00 64.86 63.67 1wnh h ILE 62 Cb 0.62 2.41 -0.02 0.00 -0.74 0.00 0.00 36.82 39.08 1wnh h ILE 62 CO 0.00 0.41 -0.82 1.56 0.00 0.00 0.00 178.15 179.30 1wnh h GLN 63 N -1.00 0.00 -2.58 2.37 1.08 -1.79 -3.48 115.11 109.71 1wnh h GLN 63 Ca -0.07 0.00 -0.39 0.00 -1.45 0.00 0.00 58.65 56.73 1wnh h GLN 63 Cb 0.87 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.26 1wnh h GLN 63 CO -0.04 0.82 -0.49 1.63 -0.95 0.00 0.00 178.83 179.80 1wnh n LYS 64 N -3.31 -1.55 -0.01 1.46 5.02 -1.04 -4.89 118.16 113.85 1wnh n LYS 64 Ca 0.01 0.99 0.07 0.00 -2.02 0.00 0.00 58.31 57.35 1wnh n LYS 64 Cb 0.87 -5.55 -0.10 0.00 -0.02 0.00 0.00 35.03 30.23 1wnh n LYS 64 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1wnh n GLN 65 N -2.84 0.76 -4.80 1.97 1.13 -1.26 -5.02 117.38 107.32 1wnh n GLN 65 Ca -0.23 -0.11 -0.25 0.00 -1.94 0.00 0.00 57.00 54.47 1wnh n GLN 65 Cb 0.67 -1.30 -0.15 0.00 0.11 0.00 0.00 30.24 29.58 1wnh n GLN 65 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1wnh s VAL 66 N -2.85 1.51 -0.05 5.09 0.11 -1.26 -5.07 120.40 117.88 1wnh s VAL 66 Ca -0.03 -0.92 0.01 0.00 -2.93 0.00 0.00 61.98 58.10 1wnh s VAL 66 Cb 0.09 -1.27 0.02 0.00 -1.53 0.00 0.00 36.38 33.69 1wnh s VAL 66 CO 0.57 0.34 -0.04 -0.89 -3.33 0.00 0.00 175.10 171.75 1wnh s THR 67 N -0.56 0.54 0.04 5.04 2.01 -1.26 -1.31 115.64 120.14 1wnh s THR 67 Ca 0.07 -0.09 0.00 0.00 0.31 0.00 0.00 61.69 61.98 1wnh s THR 67 Cb -0.08 -0.59 -0.03 0.00 0.01 0.00 0.00 72.50 71.82 1wnh s THR 67 CO 0.00 0.24 -0.04 0.68 -0.69 0.00 0.00 174.62 174.81 1wnh s VAL 68 N 1.15 0.25 0.15 3.82 -7.23 -0.28 -4.97 120.40 113.29 1wnh s VAL 68 Ca -0.07 -1.36 -0.22 0.00 -1.81 0.00 0.00 61.98 58.51 1wnh s VAL 68 Cb -0.14 -0.90 -0.08 0.00 0.56 0.00 0.00 36.38 35.82 1wnh s VAL 68 CO -0.01 -0.71 0.69 0.20 -0.31 0.00 0.00 175.10 174.96 1wnh s ASN 69 N -2.17 7.21 0.12 4.85 0.01 -1.26 -0.59 114.94 123.11 1wnh s ASN 69 Ca -0.04 1.46 0.07 0.00 -0.71 0.00 0.00 52.86 53.65 1wnh s ASN 69 Cb -0.02 -2.43 -0.04 0.00 0.41 0.00 0.00 41.25 39.17 1wnh s ASN 69 CO -0.05 0.20 -0.18 0.00 -1.51 0.00 0.00 177.10 175.56 1wnh s THR 71 N -1.68 1.26 0.10 0.00 -1.32 -0.51 -1.56 115.64 111.94 1wnh s THR 71 Ca 0.09 -0.64 -0.09 0.00 -1.21 0.00 0.00 61.69 59.84 1wnh s THR 71 Cb -0.07 -1.08 -0.00 0.00 -1.51 0.00 0.00 72.50 69.84 1wnh s THR 71 CO 0.04 0.36 0.21 0.00 -2.21 0.00 0.00 174.62 173.03 1wnh s ALA 72 N -0.07 -0.23 -0.04 11.08 0.00 0.11 -1.07 121.76 131.54 1wnh s ALA 72 Ca -0.00 -0.63 0.02 0.00 0.00 0.00 0.00 51.96 51.35 1wnh s ALA 72 Cb -0.09 0.54 0.01 0.00 0.00 0.00 0.00 23.12 23.58 1wnh s ALA 72 CO 0.01 -0.53 -0.08 -1.21 0.00 0.00 0.00 175.76 173.95 1wnh s GLU 73 N -3.87 1.00 -0.12 0.00 2.02 -0.43 -0.39 118.70 116.90 1wnh s GLU 73 Ca 0.06 -0.24 0.00 0.00 0.02 0.00 0.00 54.97 54.82 1wnh s GLU 73 Cb 0.05 -0.93 0.02 0.00 0.10 0.00 0.00 34.13 33.37 1wnh s GLU 73 CO -0.10 0.03 -0.11 0.08 0.02 0.00 0.00 175.26 175.18 1wnh s VAL 74 N 0.52 1.29 -0.29 2.63 1.01 -0.27 -1.86 120.40 123.44 1wnh s VAL 74 Ca -0.08 -0.47 -0.06 0.00 0.00 0.00 0.00 61.98 61.38 1wnh s VAL 74 Cb -0.12 -1.24 0.01 0.00 0.00 0.00 0.00 36.38 35.03 1wnh s VAL 74 CO 0.01 0.41 0.05 -0.22 0.00 0.00 0.00 175.10 175.35 1wnh s LEU 75 N 1.48 3.71 -0.19 3.92 2.96 0.29 -0.12 118.68 130.73 1wnh s LEU 75 Ca 0.02 -0.76 -0.15 0.00 -0.22 0.00 0.00 54.13 53.03 1wnh s LEU 75 Cb -0.13 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.69 1wnh s LEU 75 CO -0.08 -0.18 0.34 -0.31 -1.32 0.00 0.00 176.35 174.80 1wnh s TYR 76 N 1.46 3.40 0.84 5.38 2.02 -0.32 -0.68 117.35 129.44 1wnh s TYR 76 Ca 0.02 0.58 -0.11 0.00 -0.37 0.00 0.00 57.07 57.19 1wnh s TYR 76 Cb -0.17 -2.43 0.09 0.00 -0.40 0.00 0.00 41.96 39.05 1wnh s TYR 76 CO 0.01 0.09 1.09 -2.14 -1.57 0.00 0.00 175.55 173.04 1wnh s PRO 77 N 0.95 1.72 0.20 -1.71 0.02 -1.26 -1.19 135.00 133.73 1wnh s PRO 77 Ca 0.17 1.03 -0.31 0.00 0.02 0.00 0.00 61.00 61.91 1wnh s PRO 77 Cb -0.14 -1.85 -0.16 0.00 0.02 0.00 0.00 34.50 32.38 1wnh s PRO 77 CO 0.06 -1.98 0.95 0.94 -0.33 0.00 0.00 177.00 176.65 1wnh n GLN 78 N -3.73 0.84 -1.68 5.54 7.27 -1.25 -4.77 117.38 119.61 1wnh n GLN 78 Ca 0.08 0.30 -0.44 0.00 0.07 0.00 0.00 57.00 57.01 1wnh n GLN 78 Cb 0.54 -1.64 -0.04 0.00 2.41 0.00 0.00 30.24 31.52 1wnh n GLN 78 CO 0.00 0.00 0.00 -0.12 0.07 0.00 0.00 177.06 177.01 1wnh n MET 79 N 1.24 2.62 0.00 3.69 0.00 -1.26 -1.89 117.12 121.52 1wnh n MET 79 Ca 0.15 0.95 0.00 0.00 -0.00 0.00 0.00 57.70 58.80 1wnh n MET 79 Cb 0.26 -2.84 0.00 0.00 0.00 0.00 0.00 33.22 30.63 1wnh n MET 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1wnh n GLY 80 N 4.27 2.01 3.74 -5.12 0.00 -1.26 -5.09 105.19 103.73 1wnh n GLY 80 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 1wnh n GLY 80 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wnh s GLN 81 N 0.00 4.30 0.00 1.61 -1.52 -0.79 -4.95 119.66 118.30 1wnh s GLN 81 Ca 0.00 0.51 0.21 0.00 -1.95 0.00 0.00 55.36 54.13 1wnh s GLN 81 Cb 0.00 -3.40 1.25 0.00 -0.22 0.00 0.00 33.01 30.64 1wnh s GLN 81 CO 0.00 0.25 1.66 0.41 -0.25 0.00 0.00 175.29 177.36 1wnh n GLY 82 N 2.97 -0.74 3.77 3.09 0.00 -1.26 -4.83 105.19 108.19 1wnh n GLY 82 Ca -0.07 -0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 1wnh n GLY 82 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wnh s SER 83 N -1.92 6.62 0.61 1.61 1.04 -1.26 -5.00 113.70 115.41 1wnh s SER 83 Ca 0.31 2.57 -0.14 0.00 0.48 0.00 0.00 55.95 59.17 1wnh s SER 83 Cb 0.14 -2.64 -0.03 0.00 0.10 0.00 0.00 66.02 63.60 1wnh s SER 83 CO 0.24 -0.63 1.05 0.00 0.98 0.00 0.00 173.24 174.88 1wnh s ALA 84 N -1.24 2.79 0.78 5.32 0.00 -1.26 -4.69 121.76 123.45 1wnh s ALA 84 Ca 0.53 0.25 -0.14 0.00 0.00 0.00 0.00 51.96 52.60 1wnh s ALA 84 Cb -0.37 -3.19 0.07 0.00 0.00 0.00 0.00 23.12 19.63 1wnh s ALA 84 CO 0.48 -0.84 1.19 -2.14 0.00 0.00 0.00 175.76 174.44 1wnh s PRO 85 N -4.41 1.87 -0.12 0.00 0.02 -1.26 -4.72 135.00 126.37 1wnh s PRO 85 Ca 0.61 1.69 -0.05 0.00 0.02 0.00 0.00 61.00 63.27 1wnh s PRO 85 Cb -0.14 -1.81 -0.04 0.00 0.02 0.00 0.00 34.50 32.53 1wnh s PRO 85 CO 0.42 -2.02 0.06 -1.21 -0.33 0.00 0.00 177.00 173.92 1wnh s GLU 86 N -4.13 3.40 -0.02 5.54 2.02 0.14 -4.92 118.70 120.73 1wnh s GLU 86 Ca 0.72 -0.31 0.02 0.00 0.02 0.00 0.00 54.97 55.42 1wnh s GLU 86 Cb -0.27 -3.03 0.01 0.00 0.10 0.00 0.00 34.13 30.94 1wnh s GLU 86 CO 0.49 0.60 -0.05 0.08 0.02 0.00 0.00 175.26 176.40 1wnh s VAL 87 N -0.56 0.51 0.07 2.63 1.01 -1.26 -0.55 120.40 122.23 1wnh s VAL 87 Ca 0.11 -0.20 0.05 0.00 0.00 0.00 0.00 61.98 61.93 1wnh s VAL 87 Cb -0.12 -0.47 -0.03 0.00 0.00 0.00 0.00 36.38 35.76 1wnh s VAL 87 CO 0.02 0.18 -0.13 0.20 0.00 0.00 0.00 175.10 175.37 1wnh s ASN 88 N 0.30 1.52 0.12 3.32 0.01 -0.78 -5.01 114.94 114.42 1wnh s ASN 88 Ca -0.04 -0.60 -0.24 0.00 -0.71 0.00 0.00 52.86 51.27 1wnh s ASN 88 Cb -0.08 -0.03 0.07 0.00 0.41 0.00 0.00 41.25 41.62 1wnh s ASN 88 CO -0.00 -0.10 0.59 0.72 -1.51 0.00 0.00 177.10 176.80 1wnh s PHE 89 N -1.29 -0.53 0.05 2.20 -0.71 -1.26 -1.32 117.98 115.12 1wnh s PHE 89 Ca -0.04 0.44 0.00 0.00 -1.04 0.00 0.00 56.93 56.29 1wnh s PHE 89 Cb -0.10 0.50 -0.04 0.00 -1.21 0.00 0.00 43.02 42.17 1wnh s PHE 89 CO 0.02 -0.79 -0.04 0.95 -1.34 0.00 0.00 175.22 174.02 1wnh s THR 90 N -3.25 0.32 -0.08 -4.49 -4.23 -0.24 -4.99 115.64 98.67 1wnh s THR 90 Ca -0.01 -1.59 -0.01 0.00 -1.18 0.00 0.00 61.69 58.90 1wnh s THR 90 Cb -0.01 -1.22 -0.03 0.00 1.34 0.00 0.00 72.50 72.58 1wnh s THR 90 CO -0.08 -0.82 -0.03 -0.36 -0.54 0.00 0.00 174.62 172.78 1wnh s PHE 91 N -3.15 3.05 0.20 3.99 0.08 -1.26 -1.42 117.98 119.47 1wnh s PHE 91 Ca 0.02 0.08 -0.04 0.00 0.12 0.00 0.00 56.93 57.11 1wnh s PHE 91 Cb 0.02 -1.76 0.15 0.00 -0.57 0.00 0.00 43.02 40.86 1wnh s PHE 91 CO -0.06 0.37 1.57 1.49 -0.10 0.00 0.00 175.22 178.48 1wnh h GLU 92 N 5.31 0.68 -5.08 0.44 4.81 -1.34 -3.46 114.58 115.94 1wnh h GLU 92 Ca -0.48 -0.34 -0.55 0.00 -0.13 0.00 0.00 59.36 57.85 1wnh h GLU 92 Cb 1.18 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 30.43 1wnh h GLU 92 CO 0.54 0.95 -0.53 0.20 -0.73 0.00 0.00 179.01 179.44 1wnh s GLY 93 N -3.98 2.56 0.33 1.92 0.00 -1.26 -5.05 107.32 101.84 1wnh s GLY 93 Ca -0.08 -1.29 -0.27 0.00 0.00 0.00 0.00 44.72 43.07 1wnh s GLY 93 CO 0.84 -1.86 1.12 1.85 0.00 0.00 0.00 173.10 175.05 1wnh s GLU 94 N -3.75 4.39 0.05 2.90 2.56 -1.26 -4.96 118.70 118.63 1wnh s GLU 94 Ca 0.24 1.79 -0.12 0.00 0.00 0.00 0.00 54.97 56.87 1wnh s GLU 94 Cb 0.03 -2.93 -0.31 0.00 2.00 0.00 0.00 34.13 32.92 1wnh s GLU 94 CO 0.14 -0.01 1.07 0.82 -0.56 0.00 0.00 175.26 176.72 1wnh h ILE 95 N 2.74 1.34 0.00 -3.70 2.04 -1.99 -3.49 117.51 114.45 1wnh h ILE 95 Ca -0.48 -2.73 0.00 0.00 1.00 0.00 0.00 64.86 62.66 1wnh h ILE 95 Cb 1.22 2.92 0.00 0.00 -0.74 0.00 0.00 36.82 40.22 1wnh h ILE 95 CO 0.65 0.81 0.00 0.61 0.00 0.00 0.00 178.15 180.22 1wnh n GLY 96 N 1.57 2.66 3.68 5.37 0.00 -1.26 -4.81 105.19 112.40 1wnh n GLY 96 Ca -0.14 -2.11 -0.44 0.00 0.00 0.00 0.00 46.02 43.33 1wnh n GLY 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wnh n LYS 97 N -1.05 2.04 -2.63 1.61 5.02 -1.26 -4.96 118.16 116.93 1wnh n LYS 97 Ca 0.00 0.72 -0.37 0.00 -2.02 0.00 0.00 58.31 56.64 1wnh n LYS 97 Cb 0.00 -2.32 -0.05 0.00 -0.02 0.00 0.00 35.03 32.64 1wnh n LYS 97 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1wnh s ASN 98 N -0.07 7.06 -0.94 4.39 0.01 -1.26 -4.92 114.94 119.21 1wnh s ASN 98 Ca 0.61 1.99 -0.06 0.00 -0.71 0.00 0.00 52.86 54.69 1wnh s ASN 98 Cb -0.61 -2.59 -0.06 0.00 0.41 0.00 0.00 41.25 38.40 1wnh s ASN 98 CO 0.57 -0.27 2.21 -0.81 -1.51 0.00 0.00 177.10 177.28 1wnh n PRO 99 N 0.36 2.21 -0.27 -0.60 -0.04 -1.26 -4.67 135.00 130.72 1wnh n PRO 99 Ca 0.03 -1.49 -0.03 0.00 -0.04 0.00 0.00 63.50 61.97 1wnh n PRO 99 Cb 0.49 -2.45 0.13 0.00 -0.04 0.00 0.00 33.50 31.62 1wnh n PRO 99 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1wnh h ASP 100 N 6.09 1.02 0.24 3.54 3.32 -1.98 -0.57 116.42 128.08 1wnh h ASP 100 Ca 0.52 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.45 1wnh h ASP 100 Cb 0.20 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.49 1wnh h ASP 100 CO 1.43 0.85 -0.12 -0.33 -1.72 0.00 0.00 179.24 179.35 1wnh h GLU 101 N 1.13 -0.31 -0.84 3.56 5.08 -1.99 0.14 114.58 121.34 1wnh h GLU 101 Ca 0.28 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.63 1wnh h GLU 101 Cb 0.09 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 1wnh h GLU 101 CO -0.04 -0.13 0.40 0.93 -1.00 0.00 0.00 179.01 179.18 1wnh h GLU 102 N -0.44 1.21 -0.57 2.33 5.08 -1.93 -0.59 114.58 119.68 1wnh h GLU 102 Ca -0.03 -0.18 -0.09 0.00 -1.00 0.00 0.00 59.36 58.06 1wnh h GLU 102 Cb 0.33 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1wnh h GLU 102 CO 0.05 0.93 0.01 -0.44 -1.00 0.00 0.00 179.01 178.57 1wnh h ASP 103 N 1.20 0.97 -0.26 1.42 3.32 -0.94 -1.48 116.42 120.65 1wnh h ASP 103 Ca 0.29 -0.30 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 1wnh h ASP 103 Cb 0.12 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 1wnh h ASP 103 CO -0.04 1.03 0.09 0.78 -1.72 0.00 0.00 179.24 179.38 1wnh h ASN 104 N 0.88 0.37 -0.54 6.45 2.35 -0.39 0.77 115.58 125.47 1wnh h ASN 104 Ca 0.16 -0.19 0.08 0.00 -0.55 0.00 0.00 56.30 55.80 1wnh h ASN 104 Cb 0.53 -0.10 -0.07 0.00 0.05 0.00 0.00 38.32 38.73 1wnh h ASN 104 CO 0.03 0.46 0.17 0.74 -1.65 0.00 0.00 177.43 177.18 1wnh h THR 105 N 0.25 0.76 -0.62 2.81 2.02 -0.98 0.44 112.91 117.60 1wnh h THR 105 Ca 0.08 -0.11 -0.03 0.00 0.77 0.00 0.00 66.41 67.12 1wnh h THR 105 Cb 0.22 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 67.01 1wnh h THR 105 CO -0.00 0.06 0.25 0.15 0.37 0.00 0.00 175.52 176.35 1wnh h PHE 106 N 0.33 0.93 0.59 3.16 3.57 -1.04 -0.85 116.94 123.64 1wnh h PHE 106 Ca 0.27 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.67 1wnh h PHE 106 Cb 0.33 -0.28 0.01 0.00 2.79 0.00 0.00 35.95 38.80 1wnh h PHE 106 CO -0.19 0.74 -0.28 -0.92 -2.23 0.00 0.00 178.31 175.42 1wnh h TYR 107 N 0.86 -0.74 -0.74 0.41 3.20 0.64 -1.78 116.97 118.83 1wnh h TYR 107 Ca 0.21 -0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.18 1wnh h TYR 107 Cb 0.19 0.24 -0.08 0.00 1.54 0.00 0.00 36.73 38.62 1wnh h TYR 107 CO 0.01 -0.45 0.34 1.96 -1.64 0.00 0.00 178.16 178.38 1wnh h GLN 108 N -0.82 0.51 -0.27 1.82 1.08 -0.10 -1.28 115.11 116.05 1wnh h GLN 108 Ca -0.08 -0.03 0.04 0.00 -1.45 0.00 0.00 58.65 57.13 1wnh h GLN 108 Cb 0.62 -0.12 -0.04 0.00 -0.05 0.00 0.00 27.48 27.90 1wnh h GLN 108 CO 0.13 0.34 0.04 1.03 -0.95 0.00 0.00 178.83 179.42 1wnh h SER 109 N 0.53 -0.02 -0.67 1.46 0.87 -0.96 0.48 113.55 115.24 1wnh h SER 109 Ca 0.39 0.05 -0.06 0.00 -1.23 0.00 0.00 61.79 60.94 1wnh h SER 109 Cb 0.51 0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.51 1wnh h SER 109 CO -0.34 0.03 0.20 -0.07 -0.53 0.00 0.00 176.83 176.11 1wnh h LEU 110 N 0.14 1.00 -0.93 2.23 4.07 -0.42 -2.00 115.31 119.40 1wnh h LEU 110 Ca 0.13 -0.19 -0.10 0.00 0.08 0.00 0.00 57.88 57.80 1wnh h LEU 110 Cb 0.14 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.61 1wnh h LEU 110 CO -0.18 0.94 -0.27 0.24 -1.08 0.00 0.00 178.44 178.09 1wnh h MET 111 N 1.02 0.45 -0.00 1.13 2.86 -0.74 -2.95 114.93 116.71 1wnh h MET 111 Ca 0.22 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1wnh h MET 111 Cb 0.31 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.95 1wnh h MET 111 CO -0.00 0.69 -0.06 0.43 1.06 0.00 0.00 176.91 179.03 1wnh n SER 112 N -4.11 0.10 -4.67 1.22 7.64 0.11 -4.92 113.62 108.99 1wnh n SER 112 Ca -0.01 0.13 -0.52 0.00 1.01 0.00 0.00 58.87 59.48 1wnh n SER 112 Cb 0.42 -0.32 -0.06 0.00 -1.01 0.00 0.00 64.21 63.23 1wnh n SER 112 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1wnh n LEU 113 N -1.38 2.51 -0.01 -3.43 4.77 -0.79 -4.87 117.00 113.81 1wnh n LEU 113 Ca 0.10 1.07 -0.11 0.00 -0.03 0.00 0.00 56.01 57.04 1wnh n LEU 113 Cb 0.30 -1.24 -0.05 0.00 -2.33 0.00 0.00 43.42 40.10 1wnh n LEU 113 CO 0.26 -0.50 0.91 0.11 -1.33 0.00 0.00 177.39 176.84 1wnh h LYS 114 N 6.72 0.13 -6.59 3.23 1.57 -1.91 -3.42 116.57 116.30 1wnh h LYS 114 Ca -0.47 -0.01 -0.70 0.00 -1.87 0.00 0.00 60.65 57.61 1wnh h LYS 114 Cb 1.30 -0.03 -0.27 0.00 0.08 0.00 0.00 32.23 33.31 1wnh h LYS 114 CO 0.90 0.08 -0.86 1.03 -0.57 0.00 0.00 179.45 180.03 1wnh s ARG 115 N -6.18 2.10 0.17 3.15 0.52 -1.26 -5.09 118.95 112.35 1wnh s ARG 115 Ca -0.13 -0.94 -0.34 0.00 -0.52 0.00 0.00 55.73 53.80 1wnh s ARG 115 Cb 0.07 -2.09 -0.14 0.00 0.52 0.00 0.00 34.95 33.31 1wnh s ARG 115 CO 0.68 0.56 1.46 -2.30 0.02 0.00 0.00 175.30 175.71 1wnh n PRO 116 N 2.18 1.85 -1.69 3.54 -0.02 -1.26 -4.88 135.00 134.73 1wnh n PRO 116 Ca -0.16 0.67 -0.42 0.00 -2.02 0.00 0.00 63.50 61.56 1wnh n PRO 116 Cb 0.52 -2.36 -0.00 0.00 -0.02 0.00 0.00 33.50 31.63 1wnh n PRO 116 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1wnh n LEU 117 N 2.81 3.42 -3.67 2.45 0.00 -1.26 -4.77 117.00 115.97 1wnh n LEU 117 Ca 0.16 1.19 -0.09 0.00 0.00 0.00 0.00 56.01 57.26 1wnh n LEU 117 Cb 0.27 -1.47 -0.10 0.00 0.00 0.00 0.00 43.42 42.13 1wnh n LEU 117 CO 0.63 -0.61 0.06 -0.70 0.00 0.00 0.00 177.39 176.77 1wnh s GLU 118 N -1.89 0.39 0.29 1.96 2.12 -1.26 -0.59 118.70 119.71 1wnh s GLU 118 Ca 0.56 0.94 -0.14 0.00 0.36 0.00 0.00 54.97 56.69 1wnh s GLU 118 Cb -0.57 0.16 0.01 0.00 0.26 0.00 0.00 34.13 33.98 1wnh s GLU 118 CO 0.61 -0.20 0.58 0.00 -0.54 0.00 0.00 175.26 175.72 1wnh s ALA 119 N 1.96 -0.41 0.15 6.30 0.00 -0.35 -5.02 121.76 124.39 1wnh s ALA 119 Ca -0.06 -0.81 -0.15 0.00 0.00 0.00 0.00 51.96 50.93 1wnh s ALA 119 Cb -0.10 0.97 0.03 0.00 0.00 0.00 0.00 23.12 24.02 1wnh s ALA 119 CO -0.13 -0.91 0.42 1.14 0.00 0.00 0.00 175.76 176.27 1wnh s GLN 120 N -3.62 1.16 -0.83 0.00 0.00 -1.26 -1.09 119.66 114.03 1wnh s GLN 120 Ca 0.20 -0.81 -0.03 0.00 -0.00 0.00 0.00 55.36 54.72 1wnh s GLN 120 Cb -0.03 0.47 -0.00 0.00 0.00 0.00 0.00 33.01 33.45 1wnh s GLN 120 CO 0.10 -0.46 0.68 -0.25 0.00 0.00 0.00 175.29 175.36 1wnh n ASP 121 N -0.25 -6.43 -3.98 12.60 8.00 -0.47 -4.97 116.55 121.05 1wnh n ASP 121 Ca -0.13 -0.52 -0.30 0.00 0.71 0.00 0.00 54.79 54.55 1wnh n ASP 121 Cb 0.63 -3.79 -0.16 0.00 -0.02 0.00 0.00 41.12 37.78 1wnh n ASP 121 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1wnh s ILE 122 N -3.06 1.46 1.03 0.53 1.01 -0.73 -2.68 121.20 118.76 1wnh s ILE 122 Ca 0.07 -0.72 -0.15 0.00 0.00 0.00 0.00 60.65 59.86 1wnh s ILE 122 Cb -0.02 -1.48 0.20 0.00 0.01 0.00 0.00 42.46 41.17 1wnh s ILE 122 CO 0.82 0.30 1.14 -2.84 0.00 0.00 0.00 174.94 174.36 1wnh s PRO 123 N 1.50 0.17 0.39 2.79 0.02 -1.26 -0.49 135.00 138.12 1wnh s PRO 123 Ca 0.02 0.17 -0.03 0.00 0.02 0.00 0.00 61.00 61.18 1wnh s PRO 123 Cb -0.14 -1.74 0.08 0.00 0.02 0.00 0.00 34.50 32.72 1wnh s PRO 123 CO -0.09 -2.83 0.53 -0.40 -0.33 0.00 0.00 177.00 173.88 1wnh n ASP 124 N -4.18 0.37 -0.03 2.53 5.68 -0.48 -4.82 116.55 115.61 1wnh n ASP 124 Ca 0.09 -1.39 0.22 0.00 -0.50 0.00 0.00 54.79 53.21 1wnh n ASP 124 Cb 0.59 -0.38 0.71 0.00 -1.14 0.00 0.00 41.12 40.90 1wnh n ASP 124 CO 0.00 0.00 0.00 -1.13 -1.33 0.00 0.00 177.20 174.74 1wnh h ASN 125 N -0.52 0.00 0.00 -1.12 -0.00 -1.91 0.11 115.58 112.15 1wnh h ASN 125 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.13 1wnh h ASN 125 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.88 1wnh h ASN 125 CO 0.15 0.00 -0.05 0.49 -0.00 0.00 0.00 177.43 178.03 1wnh n PHE 126 N -4.25 0.00 -0.08 0.67 3.72 -1.26 -4.92 117.46 111.35 1wnh n PHE 126 Ca 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 1wnh n PHE 126 Cb 0.69 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.22 1wnh n PHE 126 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wnh n GLY 127 N 1.26 0.49 3.76 1.37 0.00 0.03 -5.06 105.19 107.03 1wnh n GLY 127 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1wnh n GLY 127 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wnh s ASN 128 N -2.76 6.74 -0.12 1.61 0.01 -1.26 -4.59 114.94 114.57 1wnh s ASN 128 Ca 0.00 2.67 -0.05 0.00 -0.71 0.00 0.00 52.86 54.76 1wnh s ASN 128 Cb 0.00 -2.64 0.06 0.00 0.41 0.00 0.00 41.25 39.08 1wnh s ASN 128 CO 0.00 -0.59 0.26 -0.69 -1.51 0.00 0.00 177.10 174.58 1wnh s VAL 129 N -0.72 -0.27 0.69 1.60 1.01 -1.26 -1.39 120.40 120.06 1wnh s VAL 129 Ca 0.52 0.23 -0.14 0.00 0.00 0.00 0.00 61.98 62.59 1wnh s VAL 129 Cb -0.40 -0.43 0.02 0.00 0.00 0.00 0.00 36.38 35.57 1wnh s VAL 129 CO 0.49 0.09 1.11 -0.94 0.00 0.00 0.00 175.10 175.86 1wnh s SER 130 N 1.97 4.88 0.25 3.32 1.04 -1.26 -4.82 113.70 119.08 1wnh s SER 130 Ca -0.03 1.98 -0.03 0.00 0.48 0.00 0.00 55.95 58.35 1wnh s SER 130 Cb -0.11 -2.55 0.47 0.00 0.10 0.00 0.00 66.02 63.93 1wnh s SER 130 CO -0.09 -1.78 1.77 -0.65 0.98 0.00 0.00 173.24 173.47 1wnh h PRO 131 N -0.29 0.60 0.00 4.02 0.11 -2.01 -0.26 132.00 134.16 1wnh h PRO 131 Ca -0.46 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.54 1wnh h PRO 131 Cb 1.25 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1wnh h PRO 131 CO 0.53 0.39 -0.33 1.96 -0.21 0.00 0.00 178.00 180.34 1wnh h GLN 132 N 0.61 0.00 0.00 1.05 7.50 -2.06 -2.75 115.11 119.46 1wnh h GLN 132 Ca 0.43 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.58 1wnh h GLN 132 Cb 0.57 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.10 1wnh h GLN 132 CO -0.34 0.33 -0.30 -1.33 -1.50 0.00 0.00 178.83 175.69 1wnh n MET 133 N -4.11 0.04 -0.08 1.46 2.81 -0.19 -4.29 117.12 112.76 1wnh n MET 133 Ca -0.02 0.02 -0.06 0.00 -1.81 0.00 0.00 57.70 55.83 1wnh n MET 133 Cb 0.38 -1.53 -0.00 0.00 -0.71 0.00 0.00 33.22 31.35 1wnh n MET 133 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1wnh h LYS 134 N 0.00 0.01 0.00 0.03 1.79 -1.01 0.12 116.57 117.51 1wnh h LYS 134 Ca 0.00 -0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.41 1wnh h LYS 134 Cb 0.54 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.18 1wnh h LYS 134 CO 0.00 0.01 -0.29 -1.35 -1.08 0.00 0.00 179.45 176.74 1wnh h PRO 135 N 0.01 0.00 -0.18 3.15 0.11 -1.77 0.11 132.00 133.43 1wnh h PRO 135 Ca 0.15 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 66.07 1wnh h PRO 135 Cb 0.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.33 1wnh h PRO 135 CO -0.31 0.29 -0.65 0.28 -0.21 0.00 0.00 178.00 177.40 1wnh h VAL 136 N 0.00 1.31 -0.11 3.15 2.07 -1.56 -0.06 116.25 121.06 1wnh h VAL 136 Ca -0.00 -1.90 -0.02 0.00 0.82 0.00 0.00 66.70 65.59 1wnh h VAL 136 Cb 0.59 1.87 -0.00 0.00 -1.52 0.00 0.00 31.29 32.22 1wnh h VAL 136 CO 0.04 0.60 -0.02 -0.61 0.02 0.00 0.00 177.57 177.60 1wnh h GLN 137 N 0.48 0.20 -0.78 1.57 4.15 -0.21 -2.32 115.11 118.21 1wnh h GLN 137 Ca -0.01 -0.07 -0.03 0.00 0.77 0.00 0.00 58.65 59.31 1wnh h GLN 137 Cb 1.24 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.88 1wnh h GLN 137 CO 0.13 0.49 0.39 0.45 -1.93 0.00 0.00 178.83 178.35 1wnh h HIS 138 N -0.10 1.11 -0.33 3.99 3.86 -0.76 -0.69 115.15 122.23 1wnh h HIS 138 Ca 0.03 -0.05 -0.03 0.00 -1.16 0.00 0.00 60.37 59.16 1wnh h HIS 138 Cb 0.41 -0.35 -0.02 0.00 1.06 0.00 0.00 27.41 28.51 1wnh h HIS 138 CO 0.05 0.80 0.06 1.25 0.86 0.00 0.00 177.93 180.95 1wnh h LEU 139 N 1.09 0.44 -0.42 2.43 5.85 -0.99 -0.01 115.31 123.70 1wnh h LEU 139 Ca 0.27 -0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.82 1wnh h LEU 139 Cb 0.10 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1wnh h LEU 139 CO -0.04 0.46 -0.15 0.00 -0.34 0.00 0.00 178.44 178.38 1wnh h ALA 140 N 1.60 0.58 -0.57 1.25 0.00 -0.62 -1.11 119.26 120.40 1wnh h ALA 140 Ca 0.11 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1wnh h ALA 140 Cb 0.22 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1wnh h ALA 140 CO -0.00 0.50 0.14 -1.49 0.00 0.00 0.00 179.25 178.40 1wnh h TRP 141 N 0.66 0.90 0.21 0.00 6.55 -0.41 0.31 115.95 124.19 1wnh h TRP 141 Ca 0.10 -0.09 -0.01 0.00 0.95 0.00 0.00 58.89 59.84 1wnh h TRP 141 Cb 0.69 -0.26 0.00 0.00 -0.86 0.00 0.00 29.16 28.73 1wnh h TRP 141 CO 0.05 0.75 -0.10 0.28 -1.05 0.00 0.00 178.44 178.37 1wnh h VAL 142 N 0.84 0.86 -0.74 1.49 2.07 -0.83 -2.38 116.25 117.56 1wnh h VAL 142 Ca 0.18 -0.46 -0.05 0.00 0.82 0.00 0.00 66.70 67.19 1wnh h VAL 142 Cb 0.30 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 1wnh h VAL 142 CO -0.00 0.10 0.25 0.00 0.02 0.00 0.00 177.57 177.94 1wnh h ALA 143 N 0.21 1.04 0.00 1.67 0.00 -1.01 -2.08 119.26 119.10 1wnh h ALA 143 Ca -0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1wnh h ALA 143 Cb 0.39 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1wnh h ALA 143 CO 0.05 0.66 -0.04 0.00 0.00 0.00 0.00 179.25 179.91 1wnh h GLY 145 N 0.62 1.46 0.70 0.00 0.00 -0.83 0.69 103.07 105.73 1wnh h GLY 145 Ca -0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 1wnh h GLY 145 CO 0.01 0.20 -0.05 -1.82 0.00 0.00 0.00 176.54 174.87 1wnh h TYR 146 N 0.96 -0.14 -0.41 5.60 3.20 -1.12 -1.19 116.97 123.88 1wnh h TYR 146 Ca 0.45 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.37 1wnh h TYR 146 Cb 0.43 0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.70 1wnh h TYR 146 CO -0.00 0.16 0.14 0.28 -1.64 0.00 0.00 178.16 177.11 1wnh h VAL 147 N -0.45 0.88 -0.27 1.81 2.07 -1.40 -0.94 116.25 117.96 1wnh h VAL 147 Ca -0.02 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 1wnh h VAL 147 Cb 0.37 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1wnh h VAL 147 CO 0.03 0.06 0.06 0.24 0.02 0.00 0.00 177.57 177.98 1wnh h MET 148 N 0.31 0.42 0.17 1.57 2.86 -0.87 -2.21 114.93 117.18 1wnh h MET 148 Ca 0.19 -0.10 0.01 0.00 -2.06 0.00 0.00 59.70 57.73 1wnh h MET 148 Cb 0.17 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 1wnh h MET 148 CO -0.19 0.52 -0.20 2.35 1.06 0.00 0.00 176.91 180.45 1wnh h TRP 149 N 0.26 -0.52 -0.43 -0.22 7.01 -1.08 -2.17 115.95 118.79 1wnh h TRP 149 Ca 0.08 0.01 0.09 0.00 2.11 0.00 0.00 58.89 61.18 1wnh h TRP 149 Cb 0.28 0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 27.53 1wnh h TRP 149 CO 0.01 -0.30 0.30 1.96 -2.79 0.00 0.00 178.44 177.63 1wnh h GLN 150 N -0.41 0.16 -0.50 2.65 1.08 -1.09 -2.53 115.11 114.47 1wnh h GLN 150 Ca 0.01 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1wnh h GLN 150 Cb 0.40 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.80 1wnh h GLN 150 CO -0.07 0.11 0.00 0.09 -0.95 0.00 0.00 178.83 178.01 1wnh n ASN 151 N -4.45 3.46 -4.81 1.46 3.02 -0.84 -4.23 115.26 108.87 1wnh n ASN 151 Ca 0.07 -1.97 -0.34 0.00 -0.03 0.00 0.00 54.58 52.31 1wnh n ASN 151 Cb 0.39 -0.33 -0.06 0.00 -0.61 0.00 0.00 39.78 39.16 1wnh n ASN 151 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1wnh s SER 152 N -1.13 7.00 0.29 6.41 0.01 -0.84 -5.01 113.70 120.44 1wnh s SER 152 Ca 0.38 1.76 0.04 0.00 1.31 0.00 0.00 55.95 59.43 1wnh s SER 152 Cb 0.21 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.85 1wnh s SER 152 CO 0.27 -0.31 0.19 0.42 0.41 0.00 0.00 173.24 174.22 1wnh s THR 153 N -1.99 0.13 -0.07 1.44 -4.23 -1.26 -4.52 115.64 105.14 1wnh s THR 153 Ca 0.59 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 59.38 1wnh s THR 153 Cb -0.13 -2.50 0.30 0.00 1.34 0.00 0.00 72.50 71.51 1wnh s THR 153 CO 0.17 0.00 1.86 -0.33 -0.54 0.00 0.00 174.62 175.78 1wnh h GLU 154 N 2.28 0.00 -0.01 3.99 5.08 -1.97 -2.07 114.58 121.88 1wnh h GLU 154 Ca -0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1wnh h GLU 154 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1wnh h GLU 154 CO 0.47 0.00 -0.23 -0.25 -1.00 0.00 0.00 179.01 178.00 1wnh n ASP 155 N -2.54 0.97 -4.62 1.42 8.00 -1.26 -4.94 116.55 113.60 1wnh n ASP 155 Ca -0.00 -0.87 -0.24 0.00 0.71 0.00 0.00 54.79 54.38 1wnh n ASP 155 Cb 0.14 0.10 -0.08 0.00 -0.02 0.00 0.00 41.12 41.26 1wnh n ASP 155 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1wnh s THR 156 N -2.48 3.34 -0.44 -3.53 -4.23 -0.78 -4.66 115.64 102.86 1wnh s THR 156 Ca 0.25 -1.85 0.06 0.00 -1.18 0.00 0.00 61.69 58.97 1wnh s THR 156 Cb 0.19 -2.74 0.19 0.00 1.34 0.00 0.00 72.50 71.48 1wnh s THR 156 CO 0.51 -0.29 0.51 1.87 -0.54 0.00 0.00 174.62 176.68 1wnh n TRP 157 N -0.58 -1.82 -2.42 3.99 -0.00 -1.26 -4.67 117.44 110.67 1wnh n TRP 157 Ca -0.08 -2.71 -0.41 0.00 -0.00 0.00 0.00 57.50 54.31 1wnh n TRP 157 Cb 0.58 0.60 -0.04 0.00 -0.00 0.00 0.00 31.31 32.45 1wnh n TRP 157 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 177.69 178.40 1wnh s TYR 158 N 0.14 3.50 0.05 5.87 2.02 -1.26 -1.13 117.35 126.54 1wnh s TYR 158 Ca 0.32 1.60 0.04 0.00 -0.37 0.00 0.00 57.07 58.67 1wnh s TYR 158 Cb 0.06 -3.35 -0.03 0.00 -0.40 0.00 0.00 41.96 38.25 1wnh s TYR 158 CO -0.15 -0.82 -0.12 0.15 -1.57 0.00 0.00 175.55 173.05 1wnh s LYS 159 N -1.09 0.73 -0.27 -0.62 -0.14 -0.05 -4.94 119.74 113.36 1wnh s LYS 159 Ca 0.47 -0.82 -0.24 0.00 -1.36 0.00 0.00 55.97 54.02 1wnh s LYS 159 Cb -0.33 -0.65 -0.00 0.00 -1.68 0.00 0.00 37.83 35.17 1wnh s LYS 159 CO 0.40 0.15 0.79 1.41 -0.76 0.00 0.00 175.35 177.34 1wnh s MET 160 N -1.51 4.10 -0.17 1.68 -2.45 -1.26 -0.41 119.30 119.27 1wnh s MET 160 Ca -0.04 0.77 -0.18 0.00 -1.25 0.00 0.00 55.69 55.00 1wnh s MET 160 Cb -0.09 -3.67 -0.15 0.00 1.25 0.00 0.00 34.83 32.17 1wnh s MET 160 CO 0.01 -0.56 0.21 1.25 1.05 0.00 0.00 175.02 176.97 1wnh h LEU 161 N 9.26 0.00 -7.49 4.11 5.85 -1.56 -3.47 115.31 122.01 1wnh h LEU 161 Ca -0.24 -0.43 0.18 0.00 0.84 0.00 0.00 57.88 58.24 1wnh h LEU 161 Cb 1.10 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 42.03 1wnh h LEU 161 CO 0.87 1.11 0.53 -1.59 -0.34 0.00 0.00 178.44 179.01 1wnh s LYS 162 N -2.22 1.04 -0.30 1.25 -2.85 -1.18 -4.70 119.74 110.78 1wnh s LYS 162 Ca -0.20 -0.55 -0.15 0.00 -1.00 0.00 0.00 55.97 54.07 1wnh s LYS 162 Cb 0.03 0.37 -0.03 0.00 -2.06 0.00 0.00 37.83 36.14 1wnh s LYS 162 CO 0.46 -0.47 0.38 0.42 0.10 0.00 0.00 175.35 176.23 1wnh s ILE 163 N -3.16 5.16 -0.08 3.79 1.01 0.35 -1.40 121.20 126.88 1wnh s ILE 163 Ca 0.11 0.39 -0.22 0.00 0.00 0.00 0.00 60.65 60.92 1wnh s ILE 163 Cb -0.01 -3.75 -0.18 0.00 0.01 0.00 0.00 42.46 38.53 1wnh s ILE 163 CO -0.00 0.05 0.84 1.56 0.00 0.00 0.00 174.94 177.38 1wnh h GLN 164 N 8.29 -0.10 -3.14 2.79 1.08 -0.54 -1.81 115.11 121.69 1wnh h GLN 164 Ca -0.31 0.01 -0.11 0.00 -1.45 0.00 0.00 58.65 56.79 1wnh h GLN 164 Cb 1.15 0.02 -0.19 0.00 -0.05 0.00 0.00 27.48 28.42 1wnh h GLN 164 CO 0.67 0.46 -0.27 0.95 -0.95 0.00 0.00 178.83 179.69 1wnh s THR 165 N -3.07 0.07 -0.04 -0.54 -4.23 -0.93 -1.37 115.64 105.54 1wnh s THR 165 Ca -0.14 -0.56 -0.03 0.00 -1.18 0.00 0.00 61.69 59.78 1wnh s THR 165 Cb -0.00 -0.73 0.01 0.00 1.34 0.00 0.00 72.50 73.12 1wnh s THR 165 CO 0.53 -0.31 0.10 0.54 -0.54 0.00 0.00 174.62 174.94 1wnh s VAL 166 N -1.77 -0.01 -0.13 2.29 0.11 -0.25 -0.59 120.40 120.05 1wnh s VAL 166 Ca -0.10 0.03 -0.04 0.00 -2.93 0.00 0.00 61.98 58.94 1wnh s VAL 166 Cb -0.04 -0.16 0.07 0.00 -1.53 0.00 0.00 36.38 34.72 1wnh s VAL 166 CO 0.02 0.01 0.23 -1.59 -3.33 0.00 0.00 175.10 170.44 1wnh s LYS 167 N 0.25 0.13 -0.17 1.54 -2.85 -0.84 -1.21 119.74 116.58 1wnh s LYS 167 Ca -0.02 0.60 -0.29 0.00 -1.00 0.00 0.00 55.97 55.27 1wnh s LYS 167 Cb -0.03 -0.31 -0.05 0.00 -2.06 0.00 0.00 37.83 35.39 1wnh s LYS 167 CO -0.01 -0.36 1.85 -1.14 0.10 0.00 0.00 175.35 175.79 1wnh s GLN 168 N 2.37 3.68 -0.85 1.78 0.74 0.24 -2.06 119.66 125.55 1wnh s GLN 168 Ca 0.03 1.94 -0.14 0.00 0.05 0.00 0.00 55.36 57.24 1wnh s GLN 168 Cb -0.13 -4.15 0.22 0.00 1.10 0.00 0.00 33.01 30.05 1wnh s GLN 168 CO -0.08 -1.45 0.81 0.08 -0.55 0.00 0.00 175.29 174.09 1wnh s VAL 169 N 5.90 5.60 0.50 1.34 1.01 0.28 -4.58 120.40 130.46 1wnh s VAL 169 Ca 0.83 -2.50 -0.21 0.00 0.00 0.00 0.00 61.98 60.10 1wnh s VAL 169 Cb -0.31 -4.49 -0.09 0.00 0.00 0.00 0.00 36.38 31.49 1wnh s VAL 169 CO 0.33 -1.06 0.75 0.00 0.00 0.00 0.00 175.10 175.12 1wnh n GLN 170 N 4.01 0.83 -1.89 2.72 6.02 -1.26 -4.34 117.38 123.46 1wnh n GLN 170 Ca 0.15 0.31 0.00 0.00 -0.01 0.00 0.00 57.00 57.45 1wnh n GLN 170 Cb 0.47 -1.83 0.00 0.00 1.02 0.00 0.00 30.24 29.89 1wnh n GLN 170 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1wnh n ARG 171 N -0.02 1.69 -0.09 -1.09 1.74 -1.26 -5.04 116.66 112.60 1wnh n ARG 171 Ca 0.11 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.11 1wnh n ARG 171 Cb 0.43 0.00 -0.16 0.00 -1.02 0.00 0.00 32.46 31.71 1wnh n ARG 171 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1wnh n ASN 172 N -1.32 0.10 -2.21 0.55 5.03 -1.26 -4.99 115.26 111.16 1wnh n ASN 172 Ca 0.00 0.05 0.00 0.00 0.87 0.00 0.00 54.58 55.50 1wnh n ASN 172 Cb 0.00 0.93 0.00 0.00 -1.02 0.00 0.00 39.78 39.69 1wnh n ASN 172 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 1wnh n ASP 173 N -2.76 0.00 -0.77 6.41 5.68 -1.26 -5.00 116.55 118.85 1wnh n ASP 173 Ca -0.30 -0.22 0.11 0.00 -0.50 0.00 0.00 54.79 53.89 1wnh n ASP 173 Cb 1.11 0.00 0.31 0.00 -1.14 0.00 0.00 41.12 41.40 1wnh n ASP 173 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1wnh n ASP 174 N -0.67 2.34 -4.77 -1.12 8.00 -1.26 -4.94 116.55 114.13 1wnh n ASP 174 Ca 0.00 -1.81 -0.40 0.00 0.71 0.00 0.00 54.79 53.29 1wnh n ASP 174 Cb 0.00 -0.13 -0.06 0.00 -0.02 0.00 0.00 41.12 40.91 1wnh n ASP 174 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1wnh s PHE 175 N -1.73 3.89 -0.01 1.24 0.40 -1.26 -4.93 117.98 115.58 1wnh s PHE 175 Ca 0.34 1.65 -0.22 0.00 -0.60 0.00 0.00 56.93 58.10 1wnh s PHE 175 Cb 0.20 -2.80 -0.05 0.00 0.51 0.00 0.00 43.02 40.87 1wnh s PHE 175 CO 0.29 0.47 0.65 0.42 0.70 0.00 0.00 175.22 177.75 1wnh s ILE 176 N -0.97 4.90 -0.10 0.64 -1.09 -0.45 -4.64 121.20 119.50 1wnh s ILE 176 Ca 0.37 1.36 0.03 0.00 -2.23 0.00 0.00 60.65 60.18 1wnh s ILE 176 Cb -0.23 -3.99 0.01 0.00 -1.58 0.00 0.00 42.46 36.67 1wnh s ILE 176 CO 0.27 0.37 -0.18 -0.70 -1.23 0.00 0.00 174.94 173.47 1wnh s GLU 177 N 0.06 2.38 -0.05 2.79 2.12 -1.26 -0.90 118.70 123.84 1wnh s GLU 177 Ca 0.34 -0.64 0.02 0.00 0.36 0.00 0.00 54.97 55.05 1wnh s GLU 177 Cb -0.19 -1.92 0.01 0.00 0.26 0.00 0.00 34.13 32.30 1wnh s GLU 177 CO 0.18 0.04 -0.11 -0.51 -0.54 0.00 0.00 175.26 174.32 1wnh s LEU 178 N 0.68 1.65 -0.43 2.70 1.43 0.17 -0.55 118.68 124.33 1wnh s LEU 178 Ca -0.13 -0.26 -0.15 0.00 -1.03 0.00 0.00 54.13 52.56 1wnh s LEU 178 Cb -0.16 -0.74 0.04 0.00 0.03 0.00 0.00 46.19 45.35 1wnh s LEU 178 CO 0.03 0.04 0.32 -0.62 0.23 0.00 0.00 176.35 176.35 1wnh s ASP 179 N 0.55 6.09 -0.01 2.29 -1.08 -0.88 -0.23 116.67 123.40 1wnh s ASP 179 Ca -0.11 -1.04 0.00 0.00 -0.52 0.00 0.00 52.55 50.88 1wnh s ASP 179 Cb -0.14 -2.15 -0.04 0.00 -1.46 0.00 0.00 42.92 39.13 1wnh s ASP 179 CO 0.03 -0.50 0.03 -0.31 0.52 0.00 0.00 175.17 174.93 1wnh s TYR 180 N 1.65 3.15 -0.11 -5.34 2.02 -0.12 -1.99 117.35 116.62 1wnh s TYR 180 Ca 0.04 0.14 0.02 0.00 -0.37 0.00 0.00 57.07 56.90 1wnh s TYR 180 Cb -0.21 -1.71 0.01 0.00 -0.40 0.00 0.00 41.96 39.66 1wnh s TYR 180 CO 0.09 0.49 -0.18 0.95 -1.57 0.00 0.00 175.55 175.33 1wnh s THR 181 N -1.10 1.71 0.30 -0.71 -4.23 0.24 -1.17 115.64 110.69 1wnh s THR 181 Ca 0.20 -0.78 0.03 0.00 -1.18 0.00 0.00 61.69 59.95 1wnh s THR 181 Cb -0.12 -1.54 -0.04 0.00 1.34 0.00 0.00 72.50 72.15 1wnh s THR 181 CO 0.10 0.48 0.13 0.27 -0.54 0.00 0.00 174.62 175.07 1wnh s ILE 182 N 0.83 0.48 -0.12 2.99 -4.36 0.49 0.21 121.20 121.73 1wnh s ILE 182 Ca -0.09 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.33 1wnh s ILE 182 Cb -0.16 -2.56 0.00 0.00 1.25 0.00 0.00 42.46 41.00 1wnh s ILE 182 CO -0.00 0.00 -0.22 -0.76 0.24 0.00 0.00 174.94 174.20 1wnh s LEU 183 N -3.38 2.16 0.02 0.37 1.43 -0.49 -0.57 118.68 118.21 1wnh s LEU 183 Ca 0.35 -0.55 -0.06 0.00 -1.03 0.00 0.00 54.13 52.84 1wnh s LEU 183 Cb 0.06 -1.44 -0.05 0.00 0.03 0.00 0.00 46.19 44.79 1wnh s LEU 183 CO 0.16 0.13 0.27 -0.76 0.23 0.00 0.00 176.35 176.38 1wnh s LEU 184 N 0.52 4.36 -0.27 1.79 1.43 0.38 -1.41 118.68 125.49 1wnh s LEU 184 Ca -0.14 0.55 0.03 0.00 -1.03 0.00 0.00 54.13 53.54 1wnh s LEU 184 Cb -0.17 -2.71 0.06 0.00 0.03 0.00 0.00 46.19 43.40 1wnh s LEU 184 CO 0.05 0.24 -0.10 -2.28 0.23 0.00 0.00 176.35 174.49 1wnh s HIS 185 N -1.32 3.30 -0.67 0.29 5.65 0.45 -1.04 115.29 121.94 1wnh s HIS 185 Ca 0.28 -2.36 -0.25 0.00 0.25 0.00 0.00 55.06 52.98 1wnh s HIS 185 Cb -0.13 -1.99 0.05 0.00 -1.18 0.00 0.00 32.58 29.32 1wnh s HIS 185 CO 0.17 -0.88 1.11 0.34 -0.65 0.00 0.00 174.74 174.82 1wnh s ASP 186 N 1.09 6.21 0.00 9.88 -1.08 0.33 -0.87 116.67 132.23 1wnh s ASP 186 Ca -0.08 -0.61 0.26 0.00 -0.52 0.00 0.00 52.55 51.59 1wnh s ASP 186 Cb -0.20 -2.49 1.37 0.00 -1.46 0.00 0.00 42.92 40.15 1wnh s ASP 186 CO -0.05 -1.59 1.87 2.30 0.52 0.00 0.00 175.17 178.23 1wnh n ILE 187 N 6.20 0.13 0.08 4.11 -5.35 -0.29 0.43 119.36 124.67 1wnh n ILE 187 Ca 0.00 0.03 -0.22 0.00 -0.27 0.00 0.00 62.75 62.30 1wnh n ILE 187 Cb 0.47 -0.62 -0.15 0.00 -1.74 0.00 0.00 39.64 37.61 1wnh n ILE 187 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wnh h ALA 188 N 3.34 -0.10 -0.01 -1.28 0.00 -1.88 -3.35 119.26 115.99 1wnh h ALA 188 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.14 1wnh h ALA 188 Cb 0.16 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1wnh h ALA 188 CO 0.00 0.51 -0.46 -1.13 0.00 0.00 0.00 179.25 178.16 1wnh n SER 189 N -3.98 1.52 -3.32 0.00 3.41 -1.16 -5.01 113.62 105.09 1wnh n SER 189 Ca -0.16 -1.26 -0.17 0.00 -0.26 0.00 0.00 58.87 57.02 1wnh n SER 189 Cb 0.92 0.59 0.07 0.00 -0.26 0.00 0.00 64.21 65.53 1wnh n SER 189 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wnh n GLN 190 N -0.38 -2.23 -4.26 4.33 1.13 0.17 -5.03 117.38 111.10 1wnh n GLN 190 Ca 0.06 0.81 -0.15 0.00 -1.94 0.00 0.00 57.00 55.79 1wnh n GLN 190 Cb 0.35 -5.60 -0.10 0.00 0.11 0.00 0.00 30.24 25.00 1wnh n GLN 190 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1wnh s GLU 191 N -4.64 1.09 -0.10 -1.09 2.02 -0.90 -4.98 118.70 110.10 1wnh s GLU 191 Ca 0.45 -1.46 0.03 0.00 0.02 0.00 0.00 54.97 54.00 1wnh s GLU 191 Cb -0.07 -0.68 -0.01 0.00 0.10 0.00 0.00 34.13 33.47 1wnh s GLU 191 CO 0.76 0.09 -0.18 0.42 0.02 0.00 0.00 175.26 176.36 1wnh s ILE 192 N -3.27 2.63 -0.17 -1.63 1.01 -1.26 -0.51 121.20 117.99 1wnh s ILE 192 Ca 0.17 -0.83 -0.00 0.00 0.00 0.00 0.00 60.65 59.99 1wnh s ILE 192 Cb 0.02 -2.04 0.04 0.00 0.01 0.00 0.00 42.46 40.49 1wnh s ILE 192 CO 0.01 0.55 -0.07 -0.63 0.00 0.00 0.00 174.94 174.80 1wnh s ILE 193 N 0.08 1.29 0.42 2.92 1.09 -0.21 -4.95 121.20 121.84 1wnh s ILE 193 Ca -0.08 -0.74 -0.24 0.00 -1.10 0.00 0.00 60.65 58.50 1wnh s ILE 193 Cb -0.15 -1.42 -0.08 0.00 -1.06 0.00 0.00 42.46 39.75 1wnh s ILE 193 CO 0.05 0.16 1.09 -2.84 -0.10 0.00 0.00 174.94 173.31 1wnh s PRO 194 N 1.56 4.01 0.04 2.79 0.02 -1.26 -0.47 135.00 141.69 1wnh s PRO 194 Ca 0.00 1.61 -0.14 0.00 0.02 0.00 0.00 61.00 62.49 1wnh s PRO 194 Cb -0.15 -2.48 0.02 0.00 0.02 0.00 0.00 34.50 31.90 1wnh s PRO 194 CO -0.08 -0.30 0.30 -0.46 -0.33 0.00 0.00 177.00 176.13 1wnh s TRP 195 N -1.63 -0.10 -0.04 6.54 -0.11 0.26 -0.98 118.94 122.88 1wnh s TRP 195 Ca 0.60 -0.03 0.06 0.00 1.22 0.00 0.00 56.10 57.95 1wnh s TRP 195 Cb -0.24 0.09 -0.01 0.00 -1.50 0.00 0.00 33.47 31.81 1wnh s TRP 195 CO 0.30 -0.50 -0.23 -1.14 -4.62 0.00 0.00 176.95 170.76 1wnh s GLN 196 N -2.54 2.17 -0.07 5.86 -0.44 0.11 -0.38 119.66 124.37 1wnh s GLN 196 Ca -0.05 -0.81 -0.03 0.00 -2.50 0.00 0.00 55.36 51.97 1wnh s GLN 196 Cb -0.01 -1.91 0.04 0.00 -1.64 0.00 0.00 33.01 29.49 1wnh s GLN 196 CO -0.03 0.38 0.16 0.00 0.50 0.00 0.00 175.29 176.30 1wnh s MET 197 N -0.23 0.11 -0.30 1.67 0.23 -0.31 -0.99 119.30 119.48 1wnh s MET 197 Ca 0.00 0.38 -0.17 0.00 -1.03 0.00 0.00 55.69 54.87 1wnh s MET 197 Cb -0.12 -0.17 -0.02 0.00 -1.53 0.00 0.00 34.83 32.99 1wnh s MET 197 CO 0.02 -0.16 0.47 -0.65 -2.03 0.00 0.00 175.02 172.67 1wnh s GLN 198 N 1.15 3.89 -0.13 3.16 -1.52 0.13 -0.95 119.66 125.39 1wnh s GLN 198 Ca -0.09 0.07 -0.01 0.00 -1.95 0.00 0.00 55.36 53.38 1wnh s GLN 198 Cb -0.11 -3.71 -0.02 0.00 -0.22 0.00 0.00 33.01 28.95 1wnh s GLN 198 CO -0.06 -0.44 -0.09 0.08 -0.25 0.00 0.00 175.29 174.53 1wnh s VAL 199 N 2.27 3.47 -0.11 1.09 1.01 0.68 -0.64 120.40 128.17 1wnh s VAL 199 Ca 0.19 -0.52 -0.01 0.00 0.00 0.00 0.00 61.98 61.64 1wnh s VAL 199 Cb -0.16 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 1wnh s VAL 199 CO 0.11 0.52 -0.08 -0.76 0.00 0.00 0.00 175.10 174.90 1wnh s LEU 200 N 0.15 3.06 -0.02 3.92 1.02 0.41 -0.66 118.68 126.57 1wnh s LEU 200 Ca -0.04 -0.14 -0.05 0.00 0.02 0.00 0.00 54.13 53.92 1wnh s LEU 200 Cb -0.14 -1.69 0.00 0.00 0.02 0.00 0.00 46.19 44.38 1wnh s LEU 200 CO 0.04 0.26 0.12 0.86 0.02 0.00 0.00 176.35 177.64 1wnh s TRP 201 N -0.17 -0.02 -0.22 0.29 -0.00 -0.07 -0.25 118.94 118.49 1wnh s TRP 201 Ca 0.02 0.04 -0.15 0.00 -0.00 0.00 0.00 56.10 56.01 1wnh s TRP 201 Cb -0.13 -0.02 0.06 0.00 -0.00 0.00 0.00 33.47 33.38 1wnh s TRP 201 CO 0.03 -0.18 0.56 -1.58 -0.00 0.00 0.00 176.95 175.78 1wnh s HIS 202 N -0.74 -0.76 0.54 5.86 5.65 -0.92 -1.34 115.29 123.58 1wnh s HIS 202 Ca -0.08 1.64 0.35 0.00 0.25 0.00 0.00 55.06 57.22 1wnh s HIS 202 Cb -0.05 0.37 1.52 0.00 -1.18 0.00 0.00 32.58 33.24 1wnh s HIS 202 CO 0.01 -0.39 1.84 -1.35 -0.65 0.00 0.00 174.74 174.20 1wnh h PRO 203 N 6.40 0.00 0.05 2.88 0.11 -1.90 0.35 132.00 139.90 1wnh h PRO 203 Ca -0.31 -0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.45 1wnh h PRO 203 Cb 1.19 -0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 1wnh h PRO 203 CO 0.20 0.00 -1.97 1.04 -0.21 0.00 0.00 178.00 177.06 1wnh n GLN 204 N -4.22 0.67 0.20 1.05 1.13 -1.26 -4.42 117.38 110.52 1wnh n GLN 204 Ca 0.23 0.33 0.13 0.00 -1.94 0.00 0.00 57.00 55.74 1wnh n GLN 204 Cb 1.13 -1.66 0.31 0.00 0.11 0.00 0.00 30.24 30.13 1wnh n GLN 204 CO 0.00 0.00 0.00 1.88 -1.44 0.00 0.00 177.06 177.50 1wnh h TYR 205 N -0.37 0.00 0.00 1.08 0.05 -1.88 -3.50 116.97 112.35 1wnh h TYR 205 Ca -0.47 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.31 1wnh h TYR 205 Cb 1.76 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.50 1wnh h TYR 205 CO 0.05 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.57 1wnh n GLY 206 N 0.96 -1.73 3.68 3.88 0.00 0.12 -4.89 105.19 107.21 1wnh n GLY 206 Ca 0.04 -1.63 -0.35 0.00 0.00 0.00 0.00 46.02 44.08 1wnh n GLY 206 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wnh s THR 207 N 0.00 4.75 -0.06 2.61 2.01 -1.26 -2.17 115.64 121.52 1wnh s THR 207 Ca 0.00 -0.06 -0.00 0.00 0.31 0.00 0.00 61.69 61.94 1wnh s THR 207 Cb 0.00 -3.09 0.03 0.00 0.01 0.00 0.00 72.50 69.44 1wnh s THR 207 CO 0.00 0.52 -0.02 -0.75 -0.69 0.00 0.00 174.62 173.69 1wnh s LYS 208 N -0.17 0.67 -0.76 4.92 2.20 0.65 -4.99 119.74 122.25 1wnh s LYS 208 Ca 0.07 0.03 -0.22 0.00 -0.36 0.00 0.00 55.97 55.48 1wnh s LYS 208 Cb -0.12 -0.89 0.08 0.00 -1.51 0.00 0.00 37.83 35.39 1wnh s LYS 208 CO 0.01 -0.21 1.09 0.08 -0.36 0.00 0.00 175.35 175.97 1wnh s VAL 209 N 1.51 4.28 0.17 4.02 1.01 -1.26 -0.44 120.40 129.69 1wnh s VAL 209 Ca -0.02 -0.55 -0.12 0.00 0.00 0.00 0.00 61.98 61.29 1wnh s VAL 209 Cb -0.13 -4.78 0.07 0.00 0.00 0.00 0.00 36.38 31.55 1wnh s VAL 209 CO -0.03 -1.58 1.72 0.50 0.00 0.00 0.00 175.10 175.71 1wnh h LYS 210 N 9.50 0.92 -3.45 2.72 3.64 -1.25 -3.46 116.57 125.19 1wnh h LYS 210 Ca -0.14 -0.18 -0.05 0.00 -1.27 0.00 0.00 60.65 59.00 1wnh h LYS 210 Cb 1.05 -0.14 -0.13 0.00 -0.41 0.00 0.00 32.23 32.61 1wnh h LYS 210 CO 1.21 0.80 -0.10 -1.01 -2.27 0.00 0.00 179.45 178.08 1wnh s HIS 211 N -5.48 -0.12 -0.27 1.91 3.76 -1.22 -5.00 115.29 108.86 1wnh s HIS 211 Ca -0.13 -0.22 -0.28 0.00 -0.15 0.00 0.00 55.06 54.29 1wnh s HIS 211 Cb 0.13 0.23 0.18 0.00 1.11 0.00 0.00 32.58 34.23 1wnh s HIS 211 CO 0.80 -0.72 1.32 0.54 -0.85 0.00 0.00 174.74 175.83 1wnh s ASN 212 N -2.83 -0.11 0.04 1.40 2.20 -1.26 -0.70 114.94 113.68 1wnh s ASN 212 Ca 0.05 0.16 -0.26 0.00 -0.94 0.00 0.00 52.86 51.87 1wnh s ASN 212 Cb 0.02 0.14 0.06 0.00 -2.00 0.00 0.00 41.25 39.48 1wnh s ASN 212 CO -0.10 -0.08 0.61 -0.94 -2.94 0.00 0.00 177.10 173.66 1wnh s SER 213 N -0.61 -0.57 0.37 3.54 1.04 -0.16 -4.98 113.70 112.34 1wnh s SER 213 Ca 0.07 0.35 -0.27 0.00 0.48 0.00 0.00 55.95 56.57 1wnh s SER 213 Cb -0.02 0.54 -0.10 0.00 0.10 0.00 0.00 66.02 66.54 1wnh s SER 213 CO -0.09 -0.75 1.31 -0.60 0.98 0.00 0.00 173.24 174.09 1wnh s ARG 214 N -2.30 4.15 0.08 4.02 3.52 -1.26 -0.71 118.95 126.45 1wnh s ARG 214 Ca -0.06 2.20 0.03 0.00 -0.13 0.00 0.00 55.73 57.77 1wnh s ARG 214 Cb -0.01 -2.91 -0.04 0.00 -1.56 0.00 0.00 34.95 30.44 1wnh s ARG 214 CO -0.00 -0.36 0.08 -0.51 -0.81 0.00 0.00 175.30 173.70 1wnh s LEU 215 N -2.13 3.81 0.69 -0.88 1.43 -0.16 -4.84 118.68 116.61 1wnh s LEU 215 Ca 0.53 -0.00 -0.12 0.00 -1.03 0.00 0.00 54.13 53.51 1wnh s LEU 215 Cb -0.39 -2.49 0.01 0.00 0.03 0.00 0.00 46.19 43.35 1wnh s LEU 215 CO 0.51 0.17 1.07 -2.84 0.23 0.00 0.00 176.35 175.50 1wnh s PRO 216 N -2.38 2.83 0.00 1.29 0.02 -1.26 -4.37 135.00 131.12 1wnh s PRO 216 Ca 0.29 1.07 0.25 0.00 0.02 0.00 0.00 61.00 62.64 1wnh s PRO 216 Cb -0.12 -1.97 0.40 0.00 0.02 0.00 0.00 34.50 32.83 1wnh s PRO 216 CO 0.22 -1.19 1.38 1.63 -0.33 0.00 0.00 177.00 178.71