#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wfl s GLN 10 N 0.00 4.46 0.23 3.69 0.74 -1.26 -5.03 119.66 122.48 2wfl s GLN 10 Ca 0.00 1.73 0.05 0.00 0.05 0.00 0.00 55.36 57.20 2wfl s GLN 10 Cb 0.00 -3.35 -0.03 0.00 1.10 0.00 0.00 33.01 30.73 2wfl s GLN 10 CO 0.00 -0.21 0.29 0.15 -0.55 0.00 0.00 175.29 174.97 2wfl s LYS 11 N 0.93 3.24 -0.27 1.67 -0.14 -1.26 -4.95 119.74 118.97 2wfl s LYS 11 Ca 0.57 -0.84 0.02 0.00 -1.36 0.00 0.00 55.97 54.36 2wfl s LYS 11 Cb -0.29 -2.78 0.06 0.00 -1.68 0.00 0.00 37.83 33.14 2wfl s LYS 11 CO 0.30 0.44 -0.09 -1.58 -0.76 0.00 0.00 175.35 173.65 2wfl s HIS 12 N -1.98 3.27 -0.10 3.18 5.65 -1.26 -0.74 115.29 123.30 2wfl s HIS 12 Ca 0.33 -2.24 -0.16 0.00 0.25 0.00 0.00 55.06 53.24 2wfl s HIS 12 Cb -0.09 -1.96 -0.05 0.00 -1.18 0.00 0.00 32.58 29.30 2wfl s HIS 12 CO 0.27 -0.87 0.42 -0.06 -0.65 0.00 0.00 174.74 173.85 2wfl s PHE 13 N 1.13 3.55 -0.21 3.88 0.08 -0.01 -0.35 117.98 126.05 2wfl s PHE 13 Ca -0.08 0.84 -0.01 0.00 0.12 0.00 0.00 56.93 57.80 2wfl s PHE 13 Cb -0.20 -2.44 0.01 0.00 -0.57 0.00 0.00 43.02 39.82 2wfl s PHE 13 CO -0.04 0.29 -0.11 0.08 -0.10 0.00 0.00 175.22 175.34 2wfl s VAL 14 N 0.20 2.68 -0.16 -0.44 1.01 0.86 -0.05 120.40 124.50 2wfl s VAL 14 Ca 0.23 -0.85 -0.06 0.00 0.00 0.00 0.00 61.98 61.30 2wfl s VAL 14 Cb -0.15 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 2wfl s VAL 14 CO 0.09 0.39 0.03 -0.76 0.00 0.00 0.00 175.10 174.86 2wfl s LEU 15 N 1.35 3.65 -0.20 3.92 1.43 0.44 -0.22 118.68 129.04 2wfl s LEU 15 Ca 0.03 0.04 -0.00 0.00 -1.03 0.00 0.00 54.13 53.17 2wfl s LEU 15 Cb -0.15 -1.90 0.05 0.00 0.03 0.00 0.00 46.19 44.23 2wfl s LEU 15 CO -0.07 0.21 -0.03 -0.69 0.23 0.00 0.00 176.35 175.99 2wfl s VAL 16 N 0.16 1.16 0.87 -1.59 1.01 0.15 -2.73 120.40 119.44 2wfl s VAL 16 Ca 0.03 -0.88 -0.11 0.00 0.00 0.00 0.00 61.98 61.01 2wfl s VAL 16 Cb -0.13 -1.46 0.11 0.00 0.00 0.00 0.00 36.38 34.91 2wfl s VAL 16 CO 0.01 -0.06 1.09 -1.38 0.00 0.00 0.00 175.10 174.77 2wfl s HIS 17 N 1.58 2.38 0.79 5.22 -3.43 -1.26 -1.05 115.29 119.52 2wfl s HIS 17 Ca -0.03 1.31 -0.06 0.00 -0.80 0.00 0.00 55.06 55.48 2wfl s HIS 17 Cb -0.17 -3.14 0.17 0.00 -1.43 0.00 0.00 32.58 28.01 2wfl s HIS 17 CO -0.07 -2.27 1.08 0.41 -2.00 0.00 0.00 174.74 171.89 2wfl n GLY 18 N -1.17 -0.18 3.76 -1.38 0.00 -1.11 -3.28 105.19 101.83 2wfl n GLY 18 Ca 0.07 -1.90 -0.40 0.00 0.00 0.00 0.00 46.02 43.79 2wfl n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wfl n GLY 19 N -2.71 1.05 2.71 -0.02 0.00 -1.26 -2.91 105.19 102.05 2wfl n GLY 19 Ca 0.16 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.40 2wfl n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wfl n LEU 21 N 0.00 0.00 0.00 0.00 4.77 -1.14 -2.92 117.00 117.70 2wfl n LEU 21 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.95 2wfl n LEU 21 Cb 0.13 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.24 2wfl n LEU 21 CO 0.00 0.00 0.77 0.61 -1.33 0.00 0.00 177.39 177.44 2wfl n GLY 22 N 5.00 0.63 0.32 -0.72 0.00 -1.26 -3.28 105.19 105.87 2wfl n GLY 22 Ca 0.00 -1.14 0.18 0.00 0.00 0.00 0.00 46.02 45.06 2wfl n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wfl h ALA 23 N 2.00 1.44 0.00 4.61 0.00 -1.86 -2.13 119.26 123.32 2wfl h ALA 23 Ca -0.26 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2wfl h ALA 23 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2wfl h ALA 23 CO 0.35 -0.07 0.00 0.11 0.00 0.00 0.00 179.25 179.63 2wfl h TRP 24 N 0.00 0.00 0.00 0.00 5.08 -1.93 -0.44 115.95 118.67 2wfl h TRP 24 Ca 0.02 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.99 2wfl h TRP 24 Cb 0.13 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.29 2wfl h TRP 24 CO 0.00 0.00 0.00 -0.84 -1.28 0.00 0.00 178.44 176.32 2wfl h ILE 25 N 0.00 0.00 -0.56 0.12 3.07 -1.80 -2.21 117.51 116.13 2wfl h ILE 25 Ca 0.00 -0.20 0.00 0.00 1.55 0.00 0.00 64.86 66.21 2wfl h ILE 25 Cb 0.08 1.06 0.00 0.00 -0.27 0.00 0.00 36.82 37.69 2wfl h ILE 25 CO 0.00 0.00 0.00 0.79 -1.05 0.00 0.00 178.15 177.89 2wfl n TRP 26 N -2.78 1.55 0.27 0.16 7.02 -0.17 -4.44 117.44 119.04 2wfl n TRP 26 Ca -0.01 -0.58 0.15 0.00 -1.02 0.00 0.00 57.50 56.05 2wfl n TRP 26 Cb 0.17 -0.32 0.69 0.00 -2.42 0.00 0.00 31.31 29.42 2wfl n TRP 26 CO 0.00 0.00 0.00 0.10 -2.02 0.00 0.00 177.69 175.77 2wfl h TYR 27 N 3.65 0.00 0.12 -5.99 -0.00 -1.56 0.14 116.97 113.33 2wfl h TYR 27 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 58.73 58.36 2wfl h TYR 27 Cb 1.52 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 38.23 2wfl h TYR 27 CO 0.81 0.07 -2.02 1.63 -0.00 0.00 0.00 178.16 178.65 2wfl n LYS 28 N -3.24 0.75 -0.05 0.10 5.02 -1.26 -4.38 118.16 115.10 2wfl n LYS 28 Ca -0.00 0.26 -0.13 0.00 -2.02 0.00 0.00 58.31 56.41 2wfl n LYS 28 Cb 0.31 -1.70 -0.01 0.00 -0.02 0.00 0.00 35.03 33.61 2wfl n LYS 28 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2wfl h LEU 29 N 0.07 0.85 0.11 -0.35 5.85 -1.62 -3.23 115.31 116.99 2wfl h LEU 29 Ca -0.43 -0.46 0.02 0.00 0.84 0.00 0.00 57.88 57.85 2wfl h LEU 29 Cb 2.03 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 42.78 2wfl h LEU 29 CO 0.08 1.23 -0.25 0.50 -0.34 0.00 0.00 178.44 179.66 2wfl h LYS 30 N 0.59 -0.43 -0.45 1.25 3.64 -0.96 -0.59 116.57 119.62 2wfl h LYS 30 Ca 0.01 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.48 2wfl h LYS 30 Cb 1.14 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 33.03 2wfl h LYS 30 CO 0.12 -0.29 0.30 -1.35 -2.27 0.00 0.00 179.45 175.96 2wfl h PRO 31 N -0.45 0.37 -0.09 1.90 0.11 -1.76 -1.24 132.00 130.84 2wfl h PRO 31 Ca 0.03 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.09 2wfl h PRO 31 Cb 0.47 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.50 2wfl h PRO 31 CO -0.14 0.24 -0.04 -0.07 -0.21 0.00 0.00 178.00 177.78 2wfl h LEU 32 N 0.38 0.20 -1.24 2.35 3.38 -1.37 0.91 115.31 119.92 2wfl h LEU 32 Ca 0.19 -0.40 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 2wfl h LEU 32 Cb 0.28 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 2wfl h LEU 32 CO -0.05 0.56 0.08 -0.07 0.09 0.00 0.00 178.44 179.05 2wfl h LEU 33 N -0.17 0.56 -0.56 1.67 3.38 -0.68 -1.62 115.31 117.89 2wfl h LEU 33 Ca 0.02 -0.09 -0.15 0.00 0.09 0.00 0.00 57.88 57.76 2wfl h LEU 33 Cb 0.48 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2wfl h LEU 33 CO 0.01 0.58 -0.42 -0.33 0.09 0.00 0.00 178.44 178.36 2wfl h GLU 34 N 0.59 0.68 0.00 1.13 5.08 -1.07 -1.95 114.58 119.03 2wfl h GLU 34 Ca 0.13 -0.36 -0.04 0.00 -1.00 0.00 0.00 59.36 58.09 2wfl h GLU 34 Cb 0.26 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2wfl h GLU 34 CO -0.00 0.97 -0.17 0.77 -1.00 0.00 0.00 179.01 179.58 2wfl h SER 35 N 0.55 0.00 0.28 1.42 0.02 -0.18 -0.83 113.55 114.81 2wfl h SER 35 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2wfl h SER 35 Cb 0.96 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.50 2wfl h SER 35 CO 0.09 0.17 0.00 0.00 -1.14 0.00 0.00 176.83 175.95 2wfl n ALA 36 N -2.43 2.44 0.00 3.77 0.00 -0.67 -4.87 120.51 118.75 2wfl n ALA 36 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2wfl n ALA 36 Cb 0.25 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.25 2wfl n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wfl n GLY 37 N 0.91 1.17 3.74 0.00 0.00 -0.32 -5.08 105.19 105.61 2wfl n GLY 37 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 2wfl n GLY 37 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wfl s HIS 38 N -2.00 2.77 -0.04 1.61 3.76 -0.76 -4.73 115.29 115.90 2wfl s HIS 38 Ca 0.00 -0.32 -0.03 0.00 -0.15 0.00 0.00 55.06 54.56 2wfl s HIS 38 Cb 0.00 -1.57 -0.04 0.00 1.11 0.00 0.00 32.58 32.08 2wfl s HIS 38 CO 0.00 0.38 0.15 0.21 -0.85 0.00 0.00 174.74 174.63 2wfl s LYS 39 N -3.84 3.35 -0.03 1.40 2.20 0.08 -4.02 119.74 118.89 2wfl s LYS 39 Ca 0.37 -0.30 0.01 0.00 -0.36 0.00 0.00 55.97 55.68 2wfl s LYS 39 Cb -0.04 -3.07 0.02 0.00 -1.51 0.00 0.00 37.83 33.23 2wfl s LYS 39 CO 0.23 0.70 -0.03 0.08 -0.36 0.00 0.00 175.35 175.97 2wfl s VAL 40 N -1.20 0.37 -0.19 4.02 1.01 -1.26 -0.82 120.40 122.32 2wfl s VAL 40 Ca 0.23 -0.06 -0.01 0.00 0.00 0.00 0.00 61.98 62.13 2wfl s VAL 40 Cb -0.12 -0.40 0.00 0.00 0.00 0.00 0.00 36.38 35.86 2wfl s VAL 40 CO 0.13 0.17 -0.13 -0.89 0.00 0.00 0.00 175.10 174.38 2wfl s THR 41 N 0.73 2.72 -0.33 3.92 2.01 0.92 -4.96 115.64 120.65 2wfl s THR 41 Ca -0.08 -0.73 -0.03 0.00 0.31 0.00 0.00 61.69 61.16 2wfl s THR 41 Cb -0.12 -2.18 0.06 0.00 0.01 0.00 0.00 72.50 70.27 2wfl s THR 41 CO -0.01 0.49 0.06 0.00 -0.69 0.00 0.00 174.62 174.47 2wfl s ALA 42 N 1.22 2.92 0.19 7.40 0.00 -1.26 -0.42 121.76 131.82 2wfl s ALA 42 Ca 0.02 -1.90 -0.09 0.00 0.00 0.00 0.00 51.96 49.99 2wfl s ALA 42 Cb -0.14 -2.09 -0.07 0.00 0.00 0.00 0.00 23.12 20.82 2wfl s ALA 42 CO -0.06 -1.38 0.49 0.14 0.00 0.00 0.00 175.76 174.95 2wfl s VAL 43 N 1.26 5.00 -0.19 0.00 -7.23 -1.11 -4.77 120.40 113.36 2wfl s VAL 43 Ca -0.02 0.38 -0.15 0.00 -1.81 0.00 0.00 61.98 60.38 2wfl s VAL 43 Cb -0.20 -3.63 -0.04 0.00 0.56 0.00 0.00 36.38 33.07 2wfl s VAL 43 CO -0.01 0.01 0.37 -1.81 -0.31 0.00 0.00 175.10 173.35 2wfl s ASP 44 N -2.28 6.43 0.85 4.85 1.01 -1.26 -3.47 116.67 122.79 2wfl s ASP 44 Ca 0.44 0.50 -0.13 0.00 0.71 0.00 0.00 52.55 54.07 2wfl s ASP 44 Cb -0.12 -2.22 0.11 0.00 1.01 0.00 0.00 42.92 41.71 2wfl s ASP 44 CO 0.22 -0.04 1.21 -0.76 0.21 0.00 0.00 175.17 176.01 2wfl s LEU 45 N 1.13 2.58 0.29 1.23 1.43 -1.26 -4.68 118.68 119.40 2wfl s LEU 45 Ca 0.18 0.62 -0.30 0.00 -1.03 0.00 0.00 54.13 53.60 2wfl s LEU 45 Cb -0.14 -2.99 -0.11 0.00 0.03 0.00 0.00 46.19 42.98 2wfl s LEU 45 CO 0.07 -2.13 1.50 -0.44 0.23 0.00 0.00 176.35 175.59 2wfl s SER 46 N -4.67 6.49 -1.96 2.29 0.01 -0.48 -1.41 113.70 113.98 2wfl s SER 46 Ca 0.65 2.85 0.00 0.00 1.31 0.00 0.00 55.95 60.76 2wfl s SER 46 Cb -0.09 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.50 2wfl s SER 46 CO 0.50 -0.80 0.00 0.00 0.41 0.00 0.00 173.24 173.34 2wfl n ALA 47 N 1.84 -0.37 -2.45 1.44 0.00 -1.24 -4.91 120.51 114.82 2wfl n ALA 47 Ca 0.06 0.27 -0.25 0.00 0.00 0.00 0.00 53.44 53.52 2wfl n ALA 47 Cb 0.39 -1.98 -0.11 0.00 0.00 0.00 0.00 19.45 17.75 2wfl n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wfl s ALA 48 N -2.79 2.65 0.00 0.00 0.00 -0.50 -4.81 121.76 116.32 2wfl s ALA 48 Ca 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 51.96 50.16 2wfl s ALA 48 Cb 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 23.12 22.84 2wfl s ALA 48 CO 0.00 0.32 0.00 0.41 0.00 0.00 0.00 175.76 176.49 2wfl n GLY 49 N -0.33 3.10 1.41 0.00 0.00 -1.21 -0.92 105.19 107.25 2wfl n GLY 49 Ca -0.08 0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.04 2wfl n GLY 49 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2wfl n ILE 50 N 0.00 1.96 -1.72 -0.61 -5.35 -1.26 -4.92 119.36 107.45 2wfl n ILE 50 Ca 0.00 -1.33 -0.42 0.00 -0.27 0.00 0.00 62.75 60.73 2wfl n ILE 50 Cb 0.00 0.05 -0.03 0.00 -1.74 0.00 0.00 39.64 37.92 2wfl n ILE 50 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 2wfl s ASN 51 N -1.08 6.37 0.00 7.28 3.84 -0.09 -4.83 114.94 126.43 2wfl s ASN 51 Ca 0.47 2.88 0.26 0.00 0.21 0.00 0.00 52.86 56.68 2wfl s ASN 51 Cb 0.32 -2.60 1.39 0.00 -0.55 0.00 0.00 41.25 39.81 2wfl s ASN 51 CO 0.20 -0.98 1.88 -0.81 -2.79 0.00 0.00 177.10 174.60 2wfl n PRO 52 N 4.03 0.54 -1.92 0.43 -0.04 -1.26 -4.28 135.00 132.50 2wfl n PRO 52 Ca 0.16 0.03 -0.31 0.00 -0.04 0.00 0.00 63.50 63.34 2wfl n PRO 52 Cb 0.35 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.32 2wfl n PRO 52 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2wfl s ARG 53 N -2.35 3.46 0.10 0.54 1.81 -1.26 -4.98 118.95 116.26 2wfl s ARG 53 Ca 0.30 0.91 0.04 0.00 -1.72 0.00 0.00 55.73 55.26 2wfl s ARG 53 Cb 0.17 -2.06 -0.04 0.00 -0.45 0.00 0.00 34.95 32.57 2wfl s ARG 53 CO 0.35 -0.68 0.03 1.03 -0.68 0.00 0.00 175.30 175.35 2wfl s ARG 54 N -4.77 2.65 0.44 3.54 0.52 -1.26 -3.63 118.95 116.44 2wfl s ARG 54 Ca 0.58 -0.82 0.13 0.00 -0.52 0.00 0.00 55.73 55.10 2wfl s ARG 54 Cb -0.12 -2.59 0.98 0.00 0.52 0.00 0.00 34.95 33.74 2wfl s ARG 54 CO 0.47 0.54 2.01 1.25 0.02 0.00 0.00 175.30 179.59 2wfl h LEU 55 N 3.28 0.11 -1.24 2.53 5.85 -1.92 -0.68 115.31 123.24 2wfl h LEU 55 Ca -0.47 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.23 2wfl h LEU 55 Cb 1.17 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.17 2wfl h LEU 55 CO 0.62 0.22 0.00 -2.24 -0.34 0.00 0.00 178.44 176.69 2wfl h ASP 56 N 0.12 0.00 0.60 1.25 2.03 -1.97 -1.48 116.42 116.97 2wfl h ASP 56 Ca 0.03 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.33 2wfl h ASP 56 Cb 0.23 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.73 2wfl h ASP 56 CO 0.01 0.00 -0.50 -0.62 -1.03 0.00 0.00 179.24 177.10 2wfl n GLU 57 N -2.46 0.06 -3.21 4.15 1.02 -0.26 -4.68 120.64 115.25 2wfl n GLU 57 Ca 0.00 0.02 -0.46 0.00 -0.02 0.00 0.00 57.16 56.70 2wfl n GLU 57 Cb 0.18 -1.54 -0.03 0.00 -0.02 0.00 0.00 31.44 30.03 2wfl n GLU 57 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2wfl s ILE 58 N -3.04 5.23 -0.24 -3.67 -1.09 -0.56 -4.92 121.20 112.91 2wfl s ILE 58 Ca 0.10 -1.83 0.19 0.00 -2.23 0.00 0.00 60.65 56.88 2wfl s ILE 58 Cb 0.17 -4.50 0.19 0.00 -1.58 0.00 0.00 42.46 36.74 2wfl s ILE 58 CO 0.70 -1.10 1.55 0.45 -1.23 0.00 0.00 174.94 175.30 2wfl h HIS 59 N 8.45 0.00 -4.31 3.97 3.86 -1.83 -3.47 115.15 121.82 2wfl h HIS 59 Ca -0.04 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.02 2wfl h HIS 59 Cb 1.06 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 29.38 2wfl h HIS 59 CO 0.96 0.27 -0.65 0.95 0.86 0.00 0.00 177.93 180.32 2wfl s THR 60 N -3.13 0.16 0.41 2.45 -4.23 -1.26 -4.91 115.64 105.13 2wfl s THR 60 Ca 0.05 -1.84 0.10 0.00 -1.18 0.00 0.00 61.69 58.82 2wfl s THR 60 Cb 0.07 -1.77 0.19 0.00 1.34 0.00 0.00 72.50 72.33 2wfl s THR 60 CO 0.70 -0.73 1.97 0.15 -0.54 0.00 0.00 174.62 176.18 2wfl h PHE 61 N 3.00 0.25 -0.56 3.99 3.57 -1.91 -0.61 116.94 124.67 2wfl h PHE 61 Ca -0.34 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.11 2wfl h PHE 61 Cb 1.17 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.81 2wfl h PHE 61 CO 0.48 0.31 0.24 -0.09 -2.23 0.00 0.00 178.31 177.01 2wfl h ARG 62 N 0.24 0.83 -0.73 1.11 2.43 -1.97 0.61 114.38 116.91 2wfl h ARG 62 Ca 0.05 -0.14 -0.02 0.00 -0.81 0.00 0.00 59.98 59.06 2wfl h ARG 62 Cb 0.26 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 2wfl h ARG 62 CO 0.01 0.71 0.37 -0.44 -1.51 0.00 0.00 179.97 179.11 2wfl h ASP 63 N 0.76 0.94 -0.77 -3.80 3.32 -1.74 -1.64 116.42 113.50 2wfl h ASP 63 Ca 0.19 -0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 2wfl h ASP 63 Cb 0.18 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.45 2wfl h ASP 63 CO -0.02 0.80 0.46 0.22 -1.72 0.00 0.00 179.24 178.98 2wfl h TYR 64 N 1.01 1.01 -0.00 4.55 3.20 -0.62 -2.77 116.97 123.36 2wfl h TYR 64 Ca 0.25 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.12 2wfl h TYR 64 Cb 0.09 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.03 2wfl h TYR 64 CO 0.00 0.68 -0.07 0.43 -1.64 0.00 0.00 178.16 177.57 2wfl n SER 65 N -4.49 0.45 -0.30 -2.11 7.64 0.16 -1.38 113.62 113.58 2wfl n SER 65 Ca 0.07 -0.70 0.07 0.00 1.01 0.00 0.00 58.87 59.32 2wfl n SER 65 Cb 0.06 -0.07 0.23 0.00 -1.01 0.00 0.00 64.21 63.41 2wfl n SER 65 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2wfl h GLU 66 N 0.59 0.61 -0.30 1.43 4.57 -1.00 0.35 114.58 120.84 2wfl h GLU 66 Ca 0.00 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 2wfl h GLU 66 Cb 0.30 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.74 2wfl h GLU 66 CO 0.00 0.41 0.12 -1.35 -1.18 0.00 0.00 179.01 177.01 2wfl h PRO 67 N 0.63 0.41 -0.34 0.92 0.11 -1.81 0.15 132.00 132.07 2wfl h PRO 67 Ca 0.47 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.46 2wfl h PRO 67 Cb 0.67 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.68 2wfl h PRO 67 CO -0.36 0.34 -0.07 1.25 -0.21 0.00 0.00 178.00 178.95 2wfl h LEU 68 N 0.41 0.66 -1.00 2.35 5.85 -1.27 -2.82 115.31 119.49 2wfl h LEU 68 Ca 0.10 -0.36 -0.05 0.00 0.84 0.00 0.00 57.88 58.41 2wfl h LEU 68 Cb 0.08 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 2wfl h LEU 68 CO -0.01 0.86 0.11 0.24 -0.34 0.00 0.00 178.44 179.30 2wfl h MET 69 N 0.44 0.84 -0.68 1.25 2.86 -0.46 0.69 114.93 119.87 2wfl h MET 69 Ca 0.09 -0.18 -0.04 0.00 -2.06 0.00 0.00 59.70 57.51 2wfl h MET 69 Cb 0.57 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.07 2wfl h MET 69 CO 0.03 0.76 0.29 0.93 1.06 0.00 0.00 176.91 179.98 2wfl h GLU 70 N 0.80 1.01 -0.66 1.72 5.08 -0.76 0.38 114.58 122.15 2wfl h GLU 70 Ca 0.17 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2wfl h GLU 70 Cb 0.32 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 2wfl h GLU 70 CO 0.00 0.83 0.41 0.28 -1.00 0.00 0.00 179.01 179.53 2wfl h VAL 71 N 0.96 1.19 -0.62 3.13 2.07 -1.07 -1.97 116.25 119.93 2wfl h VAL 71 Ca 0.23 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 2wfl h VAL 71 Cb 0.19 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.19 2wfl h VAL 71 CO -0.02 0.19 0.33 0.24 0.02 0.00 0.00 177.57 178.33 2wfl h MET 72 N 0.90 0.88 0.00 1.57 2.86 0.27 -1.87 114.93 119.54 2wfl h MET 72 Ca 0.24 -0.11 -0.03 0.00 -2.06 0.00 0.00 59.70 57.74 2wfl h MET 72 Cb -0.04 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 31.45 2wfl h MET 72 CO -0.05 0.69 -0.14 0.00 1.06 0.00 0.00 176.91 178.47 2wfl h ALA 73 N 1.15 1.26 -0.02 6.32 0.00 -0.01 -2.76 119.26 125.20 2wfl h ALA 73 Ca 0.22 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2wfl h ALA 73 Cb 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2wfl h ALA 73 CO -0.03 0.18 -0.06 -1.13 0.00 0.00 0.00 179.25 178.21 2wfl n SER 74 N -3.63 2.20 -4.69 0.00 3.41 -0.72 -4.87 113.62 105.32 2wfl n SER 74 Ca -0.02 -1.69 -0.42 0.00 -0.26 0.00 0.00 58.87 56.48 2wfl n SER 74 Cb 0.27 0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.23 2wfl n SER 74 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2wfl s ILE 75 N -2.07 2.68 0.85 -1.33 1.01 -1.04 -4.95 121.20 116.34 2wfl s ILE 75 Ca 0.31 0.15 -0.11 0.00 0.00 0.00 0.00 60.65 61.00 2wfl s ILE 75 Cb 0.20 -3.10 0.10 0.00 0.01 0.00 0.00 42.46 39.68 2wfl s ILE 75 CO 0.35 -0.00 1.13 -2.84 0.00 0.00 0.00 174.94 173.58 2wfl s PRO 76 N 2.82 1.55 0.30 2.79 0.02 -1.26 -4.90 135.00 136.33 2wfl s PRO 76 Ca 0.80 1.44 0.06 0.00 0.02 0.00 0.00 61.00 63.32 2wfl s PRO 76 Cb -0.44 -1.80 0.82 0.00 0.02 0.00 0.00 34.50 33.11 2wfl s PRO 76 CO 0.36 -2.22 1.65 -1.35 -0.33 0.00 0.00 177.00 175.11 2wfl h PRO 77 N -1.46 0.23 -0.46 5.54 0.11 -1.98 -2.41 132.00 131.57 2wfl h PRO 77 Ca -0.44 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 2wfl h PRO 77 Cb 1.26 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 2wfl h PRO 77 CO 0.46 0.15 0.03 -0.25 -0.21 0.00 0.00 178.00 178.18 2wfl n ASP 78 N -5.18 4.84 -4.56 -2.05 8.00 -1.26 -4.96 116.55 111.38 2wfl n ASP 78 Ca 0.25 -3.02 -0.25 0.00 0.71 0.00 0.00 54.79 52.47 2wfl n ASP 78 Cb 0.77 -0.64 -0.09 0.00 -0.02 0.00 0.00 41.12 41.14 2wfl n ASP 78 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2wfl s GLU 79 N -2.84 1.90 0.26 -1.24 2.02 -0.91 -5.15 118.70 112.74 2wfl s GLU 79 Ca 0.50 -1.79 0.01 0.00 0.02 0.00 0.00 54.97 53.71 2wfl s GLU 79 Cb 0.39 -1.83 -0.05 0.00 0.10 0.00 0.00 34.13 32.74 2wfl s GLU 79 CO 0.12 0.21 0.11 0.15 0.02 0.00 0.00 175.26 175.87 2wfl s LYS 80 N -3.62 1.41 0.23 1.61 1.02 -1.26 -4.76 119.74 114.36 2wfl s LYS 80 Ca 0.32 -1.77 0.06 0.00 0.02 0.00 0.00 55.97 54.61 2wfl s LYS 80 Cb -0.01 -0.19 -0.05 0.00 -0.52 0.00 0.00 37.83 37.06 2wfl s LYS 80 CO 0.17 -0.32 -0.09 0.14 -0.92 0.00 0.00 175.35 174.33 2wfl s VAL 81 N -3.78 1.55 -0.25 3.17 -7.23 0.40 -4.49 120.40 109.78 2wfl s VAL 81 Ca 0.38 -2.14 -0.09 0.00 -1.81 0.00 0.00 61.98 58.32 2wfl s VAL 81 Cb 0.07 -2.20 -0.04 0.00 0.56 0.00 0.00 36.38 34.78 2wfl s VAL 81 CO 0.14 -0.48 0.11 -0.69 -0.31 0.00 0.00 175.10 173.87 2wfl s VAL 82 N -3.08 4.72 0.01 1.32 1.01 0.53 -1.17 120.40 123.74 2wfl s VAL 82 Ca 0.25 -0.04 -0.18 0.00 0.00 0.00 0.00 61.98 62.02 2wfl s VAL 82 Cb 0.02 -3.21 -0.06 0.00 0.00 0.00 0.00 36.38 33.13 2wfl s VAL 82 CO 0.08 0.33 0.50 -0.76 0.00 0.00 0.00 175.10 175.26 2wfl s LEU 83 N 1.45 4.45 -0.15 3.92 1.43 -0.74 -0.10 118.68 128.94 2wfl s LEU 83 Ca 0.06 1.08 0.01 0.00 -1.03 0.00 0.00 54.13 54.24 2wfl s LEU 83 Cb -0.15 -2.76 0.02 0.00 0.03 0.00 0.00 46.19 43.33 2wfl s LEU 83 CO 0.05 0.22 -0.16 -0.22 0.23 0.00 0.00 176.35 176.47 2wfl s LEU 84 N -0.68 1.82 -0.08 1.79 2.96 0.69 -0.26 118.68 124.92 2wfl s LEU 84 Ca 0.27 -0.52 0.05 0.00 -0.22 0.00 0.00 54.13 53.70 2wfl s LEU 84 Cb -0.18 -1.26 -0.00 0.00 0.50 0.00 0.00 46.19 45.25 2wfl s LEU 84 CO 0.15 -0.03 -0.24 -0.83 -1.32 0.00 0.00 176.35 174.08 2wfl s GLY 85 N 1.35 1.31 -0.15 7.98 0.00 -0.28 0.34 107.32 117.87 2wfl s GLY 85 Ca 0.03 -1.00 -0.06 0.00 0.00 0.00 0.00 44.72 43.69 2wfl s GLY 85 CO -0.10 -0.46 0.04 -1.58 0.00 0.00 0.00 173.10 171.00 2wfl s HIS 86 N 0.12 3.23 0.00 1.90 2.46 -0.21 -1.35 115.29 121.44 2wfl s HIS 86 Ca -0.12 0.09 0.00 0.00 0.47 0.00 0.00 55.06 55.49 2wfl s HIS 86 Cb -0.16 -1.98 0.00 0.00 -0.13 0.00 0.00 32.58 30.30 2wfl s HIS 86 CO 0.07 0.25 0.00 0.45 -2.47 0.00 0.00 174.74 173.04 2wfl n SER 87 N 3.08 0.00 0.32 9.88 2.88 -0.56 0.28 113.62 129.50 2wfl n SER 87 Ca -0.17 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.54 2wfl n SER 87 Cb 0.53 0.00 0.94 0.00 -0.75 0.00 0.00 64.21 64.92 2wfl n SER 87 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 2wfl h PHE 88 N 0.00 0.00 0.00 0.66 3.57 -1.86 0.67 116.94 119.98 2wfl h PHE 88 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2wfl h PHE 88 Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 2wfl h PHE 88 CO 0.00 0.00 0.00 0.78 -2.23 0.00 0.00 178.31 176.86 2wfl h GLY 89 N 0.00 0.00 2.00 2.40 0.00 -0.15 -1.19 103.07 106.13 2wfl h GLY 89 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 2wfl h GLY 89 CO 0.00 0.00 -0.33 -1.33 0.00 0.00 0.00 176.54 174.88 2wfl h GLY 90 N 0.27 0.00 1.21 4.60 0.00 -0.98 -1.68 103.07 106.50 2wfl h GLY 90 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 2wfl h GLY 90 CO 0.00 0.00 0.04 -0.33 0.00 0.00 0.00 176.54 176.25 2wfl h MET 91 N 0.00 0.96 -0.19 4.80 2.07 -1.42 -1.53 114.93 119.63 2wfl h MET 91 Ca -0.00 -0.27 -0.13 0.00 -2.07 0.00 0.00 59.70 57.23 2wfl h MET 91 Cb 0.82 -0.11 -0.01 0.00 -1.87 0.00 0.00 31.60 30.43 2wfl h MET 91 CO 0.04 0.93 -0.44 0.77 1.07 0.00 0.00 176.91 179.28 2wfl h SER 92 N 0.89 0.49 -0.43 1.22 0.02 -1.52 -2.11 113.55 112.11 2wfl h SER 92 Ca 0.17 -0.23 0.03 0.00 -0.84 0.00 0.00 61.79 60.93 2wfl h SER 92 Cb 0.47 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.84 2wfl h SER 92 CO 0.02 0.87 0.22 -0.07 -1.14 0.00 0.00 176.83 176.72 2wfl h LEU 93 N 0.37 0.31 -0.54 5.07 4.07 -1.16 -0.34 115.31 123.08 2wfl h LEU 93 Ca 0.03 0.02 0.09 0.00 0.08 0.00 0.00 57.88 58.10 2wfl h LEU 93 Cb 0.93 -0.04 -0.07 0.00 1.08 0.00 0.00 40.66 42.56 2wfl h LEU 93 CO 0.08 0.22 0.14 1.23 -1.08 0.00 0.00 178.44 179.04 2wfl h GLY 94 N 0.43 0.70 1.02 0.83 0.00 -0.84 0.27 103.07 105.48 2wfl h GLY 94 Ca 0.19 -0.06 -0.06 0.00 0.00 0.00 0.00 47.33 47.40 2wfl h GLY 94 CO -0.13 -0.06 0.13 -2.00 0.00 0.00 0.00 176.54 174.48 2wfl h LEU 95 N 0.29 0.92 -0.91 3.11 5.85 -0.99 0.17 115.31 123.75 2wfl h LEU 95 Ca 0.27 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 2wfl h LEU 95 Cb 0.36 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 2wfl h LEU 95 CO -0.32 0.93 0.44 0.00 -0.34 0.00 0.00 178.44 179.14 2wfl h ALA 96 N 1.03 1.16 -0.23 1.25 0.00 0.01 -0.88 119.26 121.60 2wfl h ALA 96 Ca 0.18 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.76 2wfl h ALA 96 Cb 0.38 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2wfl h ALA 96 CO 0.01 0.66 -0.59 0.52 0.00 0.00 0.00 179.25 179.84 2wfl h MET 97 N 1.21 0.74 -0.19 0.00 2.86 0.05 0.26 114.93 119.86 2wfl h MET 97 Ca 0.30 -0.50 -0.09 0.00 -2.06 0.00 0.00 59.70 57.36 2wfl h MET 97 Cb 0.07 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 2wfl h MET 97 CO -0.04 1.12 -0.26 1.49 1.06 0.00 0.00 176.91 180.27 2wfl h GLU 98 N 0.56 0.35 0.12 1.72 4.57 -0.39 -2.68 114.58 118.82 2wfl h GLU 98 Ca -0.00 -0.13 -0.35 0.00 -1.18 0.00 0.00 59.36 57.70 2wfl h GLU 98 Cb 1.18 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.73 2wfl h GLU 98 CO 0.12 0.59 -1.93 2.41 -1.18 0.00 0.00 179.01 179.02 2wfl n THR 99 N -4.13 1.77 -2.69 0.32 -1.04 -0.36 -4.51 114.28 103.63 2wfl n THR 99 Ca -0.01 -0.61 -0.21 0.00 -2.04 0.00 0.00 64.05 61.19 2wfl n THR 99 Cb 0.39 -1.77 -0.00 0.00 -1.82 0.00 0.00 70.33 67.13 2wfl n THR 99 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2wfl n TYR 100 N -3.57 2.56 -0.32 -1.42 4.01 0.88 -4.92 117.16 114.38 2wfl n TYR 100 Ca -0.32 -3.27 0.02 0.00 -0.16 0.00 0.00 57.90 54.17 2wfl n TYR 100 Cb 1.02 -0.27 0.16 0.00 -0.31 0.00 0.00 39.34 39.94 2wfl n TYR 100 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2wfl h PRO 101 N 2.81 0.94 0.00 -0.72 0.13 -1.62 0.17 132.00 133.72 2wfl h PRO 101 Ca 0.14 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 2wfl h PRO 101 Cb 0.92 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 31.84 2wfl h PRO 101 CO 0.71 0.62 0.00 -0.85 -0.23 0.00 0.00 178.00 178.25 2wfl n GLU 102 N -4.63 0.04 0.00 0.86 0.00 -1.26 -2.48 120.64 113.17 2wfl n GLU 102 Ca 0.14 0.32 0.11 0.00 0.00 0.00 0.00 57.16 57.72 2wfl n GLU 102 Cb 0.22 -1.50 0.09 0.00 0.00 0.00 0.00 31.44 30.25 2wfl n GLU 102 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2wfl n LYS 103 N -1.42 1.91 -4.49 3.44 4.76 0.05 -4.89 118.16 117.53 2wfl n LYS 103 Ca 0.02 -1.74 -0.33 0.00 -2.87 0.00 0.00 58.31 53.40 2wfl n LYS 103 Cb 0.07 -1.40 -0.16 0.00 -1.84 0.00 0.00 35.03 31.70 2wfl n LYS 103 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2wfl s ILE 104 N -1.76 2.09 -0.11 -0.18 1.01 -1.04 -0.45 121.20 120.76 2wfl s ILE 104 Ca 0.24 -0.96 -0.27 0.00 0.00 0.00 0.00 60.65 59.67 2wfl s ILE 104 Cb 0.18 -1.85 -0.27 0.00 0.01 0.00 0.00 42.46 40.52 2wfl s ILE 104 CO 0.27 0.54 0.81 0.77 0.00 0.00 0.00 174.94 177.34 2wfl h SER 105 N 7.52 0.14 -3.84 3.58 4.64 -1.45 -3.45 113.55 120.70 2wfl h SER 105 Ca -0.37 -0.98 -0.17 0.00 -0.47 0.00 0.00 61.79 59.80 2wfl h SER 105 Cb 1.17 -0.04 -0.26 0.00 -0.31 0.00 0.00 62.40 62.96 2wfl h SER 105 CO 0.58 1.11 -0.46 0.54 -0.87 0.00 0.00 176.83 177.73 2wfl s VAL 106 N -2.31 0.00 -0.23 0.95 0.11 -1.26 -4.24 120.40 113.42 2wfl s VAL 106 Ca -0.17 -0.01 -0.08 0.00 -2.93 0.00 0.00 61.98 58.79 2wfl s VAL 106 Cb -0.02 -0.32 -0.04 0.00 -1.53 0.00 0.00 36.38 34.48 2wfl s VAL 106 CO 0.73 -0.01 0.08 0.00 -3.33 0.00 0.00 175.10 172.58 2wfl s ALA 107 N 0.09 3.28 -0.16 1.54 0.00 0.14 -1.79 121.76 124.86 2wfl s ALA 107 Ca -0.00 -1.01 -0.04 0.00 0.00 0.00 0.00 51.96 50.91 2wfl s ALA 107 Cb -0.02 -2.09 -0.03 0.00 0.00 0.00 0.00 23.12 20.99 2wfl s ALA 107 CO 0.00 -0.29 -0.02 0.08 0.00 0.00 0.00 175.76 175.53 2wfl s VAL 108 N 1.26 4.04 -0.11 0.00 1.01 0.64 -0.43 120.40 126.81 2wfl s VAL 108 Ca 0.05 -0.31 -0.00 0.00 0.00 0.00 0.00 61.98 61.72 2wfl s VAL 108 Cb -0.14 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.44 2wfl s VAL 108 CO 0.04 0.49 -0.08 -0.36 0.00 0.00 0.00 175.10 175.19 2wfl s PHE 109 N 0.32 2.91 -0.07 5.22 0.08 0.64 -1.12 117.98 125.96 2wfl s PHE 109 Ca -0.03 -0.25 -0.00 0.00 0.12 0.00 0.00 56.93 56.78 2wfl s PHE 109 Cb -0.14 -1.81 0.02 0.00 -0.57 0.00 0.00 43.02 40.53 2wfl s PHE 109 CO 0.03 0.08 -0.04 1.41 -0.10 0.00 0.00 175.22 176.60 2wfl s MET 110 N -0.18 0.98 -1.70 0.44 1.75 -0.46 -0.05 119.30 120.08 2wfl s MET 110 Ca 0.02 -0.09 -0.19 0.00 -1.25 0.00 0.00 55.69 54.19 2wfl s MET 110 Cb -0.13 -1.10 0.16 0.00 2.84 0.00 0.00 34.83 36.60 2wfl s MET 110 CO 0.03 -0.20 0.79 0.43 -0.65 0.00 0.00 175.02 175.42 2wfl n SER 111 N 4.64 -3.35 -4.15 1.11 7.64 -1.22 -2.75 113.62 115.53 2wfl n SER 111 Ca -0.15 -1.00 -0.21 0.00 1.01 0.00 0.00 58.87 58.53 2wfl n SER 111 Cb 0.50 -2.74 -0.13 0.00 -1.01 0.00 0.00 64.21 60.83 2wfl n SER 111 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wfl s ALA 112 N -3.26 1.21 0.12 -0.43 0.00 -1.26 -1.50 121.76 116.64 2wfl s ALA 112 Ca 0.75 -0.82 -0.30 0.00 0.00 0.00 0.00 51.96 51.58 2wfl s ALA 112 Cb -0.41 -0.20 -0.07 0.00 0.00 0.00 0.00 23.12 22.44 2wfl s ALA 112 CO 0.92 0.24 1.21 -1.64 0.00 0.00 0.00 175.76 176.48 2wfl s MET 113 N -1.07 4.46 -0.14 0.00 -1.94 -1.26 -4.91 119.30 114.44 2wfl s MET 113 Ca 0.02 1.83 -0.18 0.00 -1.71 0.00 0.00 55.69 55.65 2wfl s MET 113 Cb -0.08 -3.29 -0.04 0.00 2.01 0.00 0.00 34.83 33.43 2wfl s MET 113 CO 0.01 -0.19 0.49 -1.64 -0.01 0.00 0.00 175.02 173.68 2wfl s MET 114 N 0.47 4.31 0.70 2.03 1.00 -1.26 -4.48 119.30 122.08 2wfl s MET 114 Ca 0.56 0.44 -0.16 0.00 0.00 0.00 0.00 55.69 56.53 2wfl s MET 114 Cb -0.31 -3.47 0.02 0.00 0.00 0.00 0.00 34.83 31.07 2wfl s MET 114 CO 0.32 0.08 1.26 -2.14 0.00 0.00 0.00 175.02 174.54 2wfl s PRO 115 N 0.86 2.23 -0.21 2.03 0.02 -1.26 -5.00 135.00 133.68 2wfl s PRO 115 Ca 0.26 1.93 0.01 0.00 0.02 0.00 0.00 61.00 63.22 2wfl s PRO 115 Cb -0.15 -1.82 0.05 0.00 0.02 0.00 0.00 34.50 32.59 2wfl s PRO 115 CO 0.10 -1.81 -0.10 0.34 -0.33 0.00 0.00 177.00 175.21 2wfl s ASP 116 N -1.70 3.52 0.57 2.53 -1.08 -1.26 -4.99 116.67 114.25 2wfl s ASP 116 Ca 0.79 -0.95 0.32 0.00 -0.52 0.00 0.00 52.55 52.19 2wfl s ASP 116 Cb -0.34 -1.26 1.76 0.00 -1.46 0.00 0.00 42.92 41.63 2wfl s ASP 116 CO 0.43 -0.15 1.98 -0.65 0.52 0.00 0.00 175.17 177.30 2wfl h PRO 117 N 7.96 0.00 0.00 4.34 0.11 -1.91 -1.06 132.00 141.44 2wfl h PRO 117 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2wfl h PRO 117 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2wfl h PRO 117 CO 0.47 0.00 -0.01 0.09 -0.21 0.00 0.00 178.00 178.34 2wfl n ASN 118 N -2.75 0.84 -4.39 -2.05 3.02 -1.26 -4.72 115.26 103.94 2wfl n ASN 118 Ca -0.02 0.57 -0.21 0.00 -0.03 0.00 0.00 54.58 54.89 2wfl n ASN 118 Cb 0.19 -0.78 -0.10 0.00 -0.61 0.00 0.00 39.78 38.47 2wfl n ASN 118 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2wfl s HIS 119 N -3.10 1.95 1.16 3.10 3.76 -0.40 -5.13 115.29 116.62 2wfl s HIS 119 Ca 0.10 -0.47 -0.15 0.00 -0.15 0.00 0.00 55.06 54.39 2wfl s HIS 119 Cb 0.12 -0.88 0.27 0.00 1.11 0.00 0.00 32.58 33.20 2wfl s HIS 119 CO 0.60 0.49 1.05 -1.54 -0.85 0.00 0.00 174.74 174.49 2wfl s SER 120 N -3.33 1.15 0.47 1.40 1.04 -1.26 -4.68 113.70 108.49 2wfl s SER 120 Ca 0.25 1.12 0.26 0.00 0.48 0.00 0.00 55.95 58.06 2wfl s SER 120 Cb -0.03 -1.71 1.04 0.00 0.10 0.00 0.00 66.02 65.42 2wfl s SER 120 CO 0.10 -4.04 1.87 -0.07 0.98 0.00 0.00 173.24 172.08 2wfl h LEU 121 N -2.51 0.00 0.00 2.42 3.38 -1.82 -2.72 115.31 114.06 2wfl h LEU 121 Ca -0.54 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.43 2wfl h LEU 121 Cb 1.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.08 2wfl h LEU 121 CO 0.47 0.16 -0.29 0.35 0.09 0.00 0.00 178.44 179.22 2wfl n THR 122 N -3.32 0.10 -0.16 0.22 -2.24 -1.26 -4.33 114.28 103.28 2wfl n THR 122 Ca 0.00 -0.06 -0.02 0.00 -2.27 0.00 0.00 64.05 61.70 2wfl n THR 122 Cb 0.39 -0.14 0.05 0.00 -2.10 0.00 0.00 70.33 68.53 2wfl n THR 122 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 2wfl h TYR 123 N 0.00 -0.13 -0.55 4.78 3.20 -1.83 -0.44 116.97 122.00 2wfl h TYR 123 Ca 0.00 0.04 0.03 0.00 3.14 0.00 0.00 58.73 61.94 2wfl h TYR 123 Cb 0.55 0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.93 2wfl h TYR 123 CO 0.00 -0.16 0.36 -1.35 -1.64 0.00 0.00 178.16 175.37 2wfl h PRO 124 N 0.06 0.62 -0.18 1.82 0.11 -1.81 0.75 132.00 133.37 2wfl h PRO 124 Ca 0.25 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 66.22 2wfl h PRO 124 Cb 0.39 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.36 2wfl h PRO 124 CO -0.47 0.41 -0.29 0.74 -0.21 0.00 0.00 178.00 178.18 2wfl h PHE 125 N 0.64 0.65 -0.76 0.65 0.04 -1.48 -0.65 116.94 116.03 2wfl h PHE 125 Ca 0.22 -0.22 0.06 0.00 2.80 0.00 0.00 57.97 60.82 2wfl h PHE 125 Cb 0.09 -0.13 -0.06 0.00 2.20 0.00 0.00 35.95 38.05 2wfl h PHE 125 CO -0.00 0.94 0.46 0.93 -0.60 0.00 0.00 178.31 180.03 2wfl h GLU 126 N 0.18 0.82 -0.33 1.51 5.08 -0.56 0.02 114.58 121.30 2wfl h GLU 126 Ca 0.02 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 2wfl h GLU 126 Cb 0.88 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 2wfl h GLU 126 CO 0.07 0.54 0.06 0.87 -1.00 0.00 0.00 179.01 179.55 2wfl h LYS 127 N 0.84 0.53 -0.53 2.33 1.79 -0.64 -0.85 116.57 120.05 2wfl h LYS 127 Ca 0.34 -0.14 0.03 0.00 -2.18 0.00 0.00 60.65 58.70 2wfl h LYS 127 Cb 0.17 -0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 30.71 2wfl h LYS 127 CO -0.17 0.61 0.31 -0.92 -1.08 0.00 0.00 179.45 178.19 2wfl h TYR 128 N 0.37 0.57 -0.38 -1.35 3.20 -0.87 0.30 116.97 118.81 2wfl h TYR 128 Ca 0.10 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 2wfl h TYR 128 Cb 0.33 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 2wfl h TYR 128 CO 0.02 0.31 0.16 -0.91 -1.64 0.00 0.00 178.16 176.10 2wfl h ASN 129 N 0.60 0.48 0.04 -2.11 2.35 -0.47 -0.33 115.58 116.13 2wfl h ASN 129 Ca 0.22 -0.04 -0.08 0.00 -0.55 0.00 0.00 56.30 55.85 2wfl h ASN 129 Cb 0.06 -0.12 0.01 0.00 0.05 0.00 0.00 38.32 38.32 2wfl h ASN 129 CO -0.12 0.43 -0.34 -0.08 -1.65 0.00 0.00 177.43 175.68 2wfl h GLU 130 N 0.53 0.17 0.00 0.81 4.81 -0.18 -3.34 114.58 117.38 2wfl h GLU 130 Ca 0.13 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 2wfl h GLU 130 Cb 0.10 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.55 2wfl h GLU 130 CO -0.01 1.03 -0.41 0.87 -0.73 0.00 0.00 179.01 179.76 2wfl h LYS 131 N -0.59 0.00 -5.84 1.92 1.79 -0.30 -3.46 116.57 110.08 2wfl h LYS 131 Ca -0.05 0.00 -0.65 0.00 -2.18 0.00 0.00 60.65 57.77 2wfl h LYS 131 Cb 1.18 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 31.75 2wfl h LYS 131 CO 0.06 0.00 -0.52 0.00 -1.08 0.00 0.00 179.45 177.91 2wfl n PRO 133 N 1.30 0.00 0.18 0.00 -0.02 -1.26 -4.85 135.00 130.35 2wfl n PRO 133 Ca -0.14 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.37 2wfl n PRO 133 Cb 0.53 -0.89 0.40 0.00 -0.02 0.00 0.00 33.50 33.52 2wfl n PRO 133 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wfl h ALA 134 N 0.54 1.48 -0.97 3.55 0.00 -1.98 -2.98 119.26 118.91 2wfl h ALA 134 Ca -0.29 -0.27 -0.64 0.00 0.00 0.00 0.00 54.91 53.71 2wfl h ALA 134 Cb 1.28 -0.06 -0.35 0.00 0.00 0.00 0.00 17.79 18.67 2wfl h ALA 134 CO 0.45 0.38 0.19 -0.25 0.00 0.00 0.00 179.25 180.03 2wfl n ASP 135 N -4.19 6.50 -0.01 0.00 8.00 -1.26 -4.78 116.55 120.81 2wfl n ASP 135 Ca -0.02 -3.78 0.11 0.00 0.71 0.00 0.00 54.79 51.81 2wfl n ASP 135 Cb 0.34 -0.73 0.53 0.00 -0.02 0.00 0.00 41.12 41.24 2wfl n ASP 135 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 2wfl h MET 136 N 2.24 0.32 -0.22 -1.24 2.86 -1.89 -1.43 114.93 115.56 2wfl h MET 136 Ca 0.50 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 58.12 2wfl h MET 136 Cb 0.96 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.55 2wfl h MET 136 CO 1.23 0.21 0.00 -1.33 1.06 0.00 0.00 176.91 178.08 2wfl n MET 137 N -4.47 1.96 0.00 1.72 2.81 -1.26 -4.98 117.12 112.89 2wfl n MET 137 Ca 0.07 -1.44 0.00 0.00 -1.81 0.00 0.00 57.70 54.52 2wfl n MET 137 Cb 0.30 -1.43 0.00 0.00 -0.71 0.00 0.00 33.22 31.38 2wfl n MET 137 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 2wfl n LEU 138 N 0.67 0.00 -0.85 4.03 4.77 -0.54 -1.06 117.00 124.01 2wfl n LEU 138 Ca 0.17 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.18 2wfl n LEU 138 Cb 0.41 0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.65 2wfl n LEU 138 CO 0.14 0.00 0.54 -0.90 -1.33 0.00 0.00 177.39 175.83 2wfl n ASP 139 N 6.96 2.36 -4.77 -1.43 5.75 -1.26 -4.91 116.55 119.25 2wfl n ASP 139 Ca 0.00 -2.23 -0.39 0.00 -0.01 0.00 0.00 54.79 52.17 2wfl n ASP 139 Cb 0.00 -0.43 -0.02 0.00 -1.03 0.00 0.00 41.12 39.64 2wfl n ASP 139 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2wfl s SER 140 N -0.57 6.55 -0.13 -1.12 0.01 -0.23 -4.29 113.70 113.93 2wfl s SER 140 Ca 0.21 2.39 -0.04 0.00 1.31 0.00 0.00 55.95 59.82 2wfl s SER 140 Cb 0.14 -2.62 -0.03 0.00 0.21 0.00 0.00 66.02 63.72 2wfl s SER 140 CO 0.09 -0.66 0.00 -1.10 0.41 0.00 0.00 173.24 171.98 2wfl s GLN 141 N -2.22 3.41 -0.05 12.44 -1.52 -0.67 -4.85 119.66 126.20 2wfl s GLN 141 Ca 0.56 -0.43 0.01 0.00 -1.95 0.00 0.00 55.36 53.55 2wfl s GLN 141 Cb -0.32 -2.92 -0.03 0.00 -0.22 0.00 0.00 33.01 29.52 2wfl s GLN 141 CO 0.41 0.47 -0.06 -0.06 -0.25 0.00 0.00 175.29 175.79 2wfl s PHE 142 N -0.23 2.94 -0.02 0.91 0.08 -1.26 -1.20 117.98 119.20 2wfl s PHE 142 Ca 0.06 0.02 -0.30 0.00 0.12 0.00 0.00 56.93 56.83 2wfl s PHE 142 Cb -0.12 -1.69 0.07 0.00 -0.57 0.00 0.00 43.02 40.71 2wfl s PHE 142 CO 0.02 0.35 0.69 -1.54 -0.10 0.00 0.00 175.22 174.64 2wfl s SER 143 N -0.98 -0.62 0.57 1.36 1.04 0.23 -4.97 113.70 110.34 2wfl s SER 143 Ca 0.14 0.57 -0.17 0.00 0.48 0.00 0.00 55.95 56.97 2wfl s SER 143 Cb -0.11 0.53 -0.05 0.00 0.10 0.00 0.00 66.02 66.50 2wfl s SER 143 CO 0.03 -0.65 1.06 0.42 0.98 0.00 0.00 173.24 175.08 2wfl s THR 144 N -1.64 3.73 0.37 2.02 -4.23 -1.26 0.37 115.64 115.00 2wfl s THR 144 Ca -0.08 0.89 -0.06 0.00 -1.18 0.00 0.00 61.69 61.26 2wfl s THR 144 Cb -0.00 -3.37 0.02 0.00 1.34 0.00 0.00 72.50 70.48 2wfl s THR 144 CO 0.05 -0.42 0.58 -0.72 -0.54 0.00 0.00 174.62 173.58 2wfl s TYR 145 N -2.30 0.82 0.00 3.99 -0.85 -0.61 -4.80 117.35 113.61 2wfl s TYR 145 Ca 0.65 -1.18 0.00 0.00 -0.52 0.00 0.00 57.07 56.02 2wfl s TYR 145 Cb -0.17 0.19 0.00 0.00 0.38 0.00 0.00 41.96 42.36 2wfl s TYR 145 CO 0.33 -1.29 0.00 0.41 -1.52 0.00 0.00 175.55 173.48 2wfl n GLY 146 N -0.57 0.08 3.67 5.49 0.00 -1.26 -0.71 105.19 111.88 2wfl n GLY 146 Ca -0.02 -1.20 -0.42 0.00 0.00 0.00 0.00 46.02 44.37 2wfl n GLY 146 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2wfl s ASN 147 N -4.00 6.81 0.08 1.61 3.84 -1.26 -4.89 114.94 117.13 2wfl s ASN 147 Ca 0.00 2.01 0.15 0.00 0.21 0.00 0.00 52.86 55.23 2wfl s ASN 147 Cb 0.00 -2.54 0.66 0.00 -0.55 0.00 0.00 41.25 38.82 2wfl s ASN 147 CO 0.00 -0.82 1.48 -0.81 -2.79 0.00 0.00 177.10 174.15 2wfl n PRO 148 N 6.59 0.05 0.01 0.43 -0.04 -1.26 -0.78 135.00 140.01 2wfl n PRO 148 Ca 0.15 0.34 0.11 0.00 -0.04 0.00 0.00 63.50 64.07 2wfl n PRO 148 Cb 0.44 -1.61 0.12 0.00 -0.04 0.00 0.00 33.50 32.41 2wfl n PRO 148 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2wfl n GLU 149 N -1.72 0.08 -2.91 0.54 1.02 -1.26 -4.35 120.64 112.04 2wfl n GLU 149 Ca 0.02 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.03 2wfl n GLU 149 Cb 0.16 -1.53 0.01 0.00 -0.02 0.00 0.00 31.44 30.05 2wfl n GLU 149 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2wfl n ASN 150 N -1.64 -1.73 -4.81 1.62 5.15 -0.33 -5.15 115.26 108.37 2wfl n ASN 150 Ca 0.04 -3.11 -0.33 0.00 -0.60 0.00 0.00 54.58 50.58 2wfl n ASN 150 Cb 0.36 0.93 -0.04 0.00 -0.53 0.00 0.00 39.78 40.50 2wfl n ASN 150 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2wfl s PRO 151 N -0.04 3.90 0.68 1.20 0.04 0.04 -4.36 135.00 136.46 2wfl s PRO 151 Ca 0.33 1.22 -0.02 0.00 0.04 0.00 0.00 61.00 62.57 2wfl s PRO 151 Cb 0.22 -2.12 0.09 0.00 0.04 0.00 0.00 34.50 32.72 2wfl s PRO 151 CO -0.19 -0.32 0.94 0.20 0.04 0.00 0.00 177.00 177.67 2wfl s GLY 152 N -2.25 1.77 -0.16 0.56 0.00 0.11 -4.89 107.32 102.45 2wfl s GLY 152 Ca 0.64 -1.43 -0.00 0.00 0.00 0.00 0.00 44.72 43.93 2wfl s GLY 152 CO 0.21 -0.97 -0.14 -0.29 0.00 0.00 0.00 173.10 171.90 2wfl s MET 153 N -5.08 3.21 0.28 2.90 1.75 -1.26 -1.57 119.30 119.54 2wfl s MET 153 Ca 0.63 -0.74 0.09 0.00 -1.25 0.00 0.00 55.69 54.41 2wfl s MET 153 Cb -0.08 -2.66 -0.04 0.00 2.84 0.00 0.00 34.83 34.89 2wfl s MET 153 CO 0.43 -0.03 0.07 -1.54 -0.65 0.00 0.00 175.02 173.30 2wfl s SER 154 N 0.93 4.77 0.02 1.11 1.04 0.16 -4.50 113.70 117.23 2wfl s SER 154 Ca -0.03 -0.60 0.03 0.00 0.48 0.00 0.00 55.95 55.83 2wfl s SER 154 Cb -0.15 -0.92 -0.01 0.00 0.10 0.00 0.00 66.02 65.03 2wfl s SER 154 CO -0.02 -0.08 -0.09 -0.32 0.98 0.00 0.00 173.24 173.71 2wfl s MET 155 N -3.75 0.62 -0.15 4.02 1.75 0.40 -0.60 119.30 121.59 2wfl s MET 155 Ca 0.33 -0.52 0.02 0.00 -1.25 0.00 0.00 55.69 54.27 2wfl s MET 155 Cb -0.06 -0.54 0.01 0.00 2.84 0.00 0.00 34.83 37.08 2wfl s MET 155 CO 0.22 0.13 -0.20 0.42 -0.65 0.00 0.00 175.02 174.94 2wfl s ILE 156 N -0.69 1.97 0.32 10.11 1.01 -0.34 -1.18 121.20 132.38 2wfl s ILE 156 Ca -0.02 -0.91 -0.29 0.00 0.00 0.00 0.00 60.65 59.44 2wfl s ILE 156 Cb -0.06 -1.76 -0.12 0.00 0.01 0.00 0.00 42.46 40.53 2wfl s ILE 156 CO 0.00 0.53 1.42 0.18 0.00 0.00 0.00 174.94 177.07 2wfl n LEU 157 N 4.32 3.85 -4.87 2.97 4.77 -1.26 -1.67 117.00 125.11 2wfl n LEU 157 Ca -0.20 1.18 -0.32 0.00 -0.03 0.00 0.00 56.01 56.64 2wfl n LEU 157 Cb 0.51 -1.52 -0.06 0.00 -2.33 0.00 0.00 43.42 40.02 2wfl n LEU 157 CO 0.26 -0.23 0.28 -0.83 -1.33 0.00 0.00 177.39 175.54 2wfl s GLY 158 N 0.03 2.29 0.34 -0.72 0.00 -1.26 -4.79 107.32 103.20 2wfl s GLY 158 Ca 0.60 -0.17 0.13 0.00 0.00 0.00 0.00 44.72 45.27 2wfl s GLY 158 CO 0.57 -0.01 1.74 -0.56 0.00 0.00 0.00 173.10 174.84 2wfl h PRO 159 N 2.43 0.00 -0.12 2.90 0.13 -1.94 -0.96 132.00 134.44 2wfl h PRO 159 Ca -0.47 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 2wfl h PRO 159 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 2wfl h PRO 159 CO 0.68 0.46 -0.07 1.96 -0.23 0.00 0.00 178.00 180.80 2wfl h GLN 160 N 0.00 0.26 -0.37 0.86 1.08 -1.93 0.20 115.11 115.22 2wfl h GLN 160 Ca -0.00 -0.12 0.07 0.00 -1.45 0.00 0.00 58.65 57.15 2wfl h GLN 160 Cb 0.84 -0.01 -0.07 0.00 -0.05 0.00 0.00 27.48 28.19 2wfl h GLN 160 CO 0.06 0.61 -0.10 0.35 -0.95 0.00 0.00 178.83 178.80 2wfl h PHE 161 N -0.09 -0.22 -0.30 2.96 3.57 -1.75 0.13 116.94 121.24 2wfl h PHE 161 Ca 0.03 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 2wfl h PHE 161 Cb 0.53 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.42 2wfl h PHE 161 CO 0.07 -0.17 0.05 0.52 -2.23 0.00 0.00 178.31 176.55 2wfl h MET 162 N -0.01 0.49 -0.72 1.11 2.86 -1.09 0.19 114.93 117.76 2wfl h MET 162 Ca 0.18 -0.13 -0.06 0.00 -2.06 0.00 0.00 59.70 57.62 2wfl h MET 162 Cb 0.29 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.86 2wfl h MET 162 CO -0.39 0.59 0.21 0.00 1.06 0.00 0.00 176.91 178.38 2wfl h ALA 163 N 0.88 0.95 0.00 6.32 0.00 -0.33 0.21 119.26 127.29 2wfl h ALA 163 Ca 0.09 -0.23 -0.28 0.00 0.00 0.00 0.00 54.91 54.48 2wfl h ALA 163 Cb 0.33 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 2wfl h ALA 163 CO 0.01 0.65 -2.02 1.28 0.00 0.00 0.00 179.25 179.16 2wfl n LEU 164 N -4.26 0.36 0.00 0.00 4.77 0.40 -3.11 117.00 115.16 2wfl n LEU 164 Ca 0.06 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 2wfl n LEU 164 Cb 0.24 0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 2wfl n LEU 164 CO 0.42 0.37 0.02 0.29 -1.33 0.00 0.00 177.39 177.15 2wfl n LYS 165 N -2.80 5.40 -0.01 3.23 4.76 0.65 -4.61 118.16 124.77 2wfl n LYS 165 Ca -0.22 -0.03 -0.02 0.00 -2.87 0.00 0.00 58.31 55.16 2wfl n LYS 165 Cb 1.03 -0.46 -0.01 0.00 -1.84 0.00 0.00 35.03 33.75 2wfl n LYS 165 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 2wfl n MET 166 N -0.78 0.05 -0.54 1.97 2.81 -1.10 -1.85 117.12 117.67 2wfl n MET 166 Ca 0.00 0.02 0.08 0.00 -1.81 0.00 0.00 57.70 55.99 2wfl n MET 166 Cb 0.00 -0.68 0.29 0.00 -0.71 0.00 0.00 33.22 32.12 2wfl n MET 166 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 2wfl n PHE 167 N -3.00 1.20 0.30 2.03 3.72 0.71 -2.82 117.46 119.61 2wfl n PHE 167 Ca -0.05 -0.82 0.17 0.00 -0.05 0.00 0.00 57.45 56.70 2wfl n PHE 167 Cb 0.54 -0.35 0.74 0.00 -0.94 0.00 0.00 39.48 39.47 2wfl n PHE 167 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 2wfl h GLN 168 N 2.37 0.00 -0.52 -1.08 -0.00 -1.71 0.16 115.11 114.33 2wfl h GLN 168 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2wfl h GLN 168 Cb 1.54 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 29.02 2wfl h GLN 168 CO 0.28 0.00 0.00 0.09 -0.00 0.00 0.00 178.83 179.20 2wfl n ASN 169 N -2.92 3.52 -4.97 0.06 3.02 -1.26 -4.97 115.26 107.73 2wfl n ASN 169 Ca 0.00 -1.97 -0.21 0.00 -0.03 0.00 0.00 54.58 52.37 2wfl n ASN 169 Cb 0.25 -0.34 0.01 0.00 -0.61 0.00 0.00 39.78 39.09 2wfl n ASN 169 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wfl s SER 171 N -4.28 4.54 0.50 0.00 1.04 -1.26 -4.88 113.70 109.36 2wfl s SER 171 Ca 0.51 1.97 0.19 0.00 0.48 0.00 0.00 55.95 59.09 2wfl s SER 171 Cb -0.10 -2.54 1.25 0.00 0.10 0.00 0.00 66.02 64.73 2wfl s SER 171 CO 0.36 -2.01 2.08 -0.37 0.98 0.00 0.00 173.24 174.28 2wfl h VAL 172 N -0.71 0.93 -0.62 5.02 -1.51 -1.98 -1.91 116.25 115.48 2wfl h VAL 172 Ca -0.45 -0.37 -0.03 0.00 -1.23 0.00 0.00 66.70 64.62 2wfl h VAL 172 Cb 1.25 1.20 -0.03 0.00 -2.13 0.00 0.00 31.29 31.58 2wfl h VAL 172 CO 0.51 0.10 0.26 -0.33 -1.23 0.00 0.00 177.57 176.88 2wfl h GLU 173 N 0.00 0.91 -0.40 5.19 3.07 -1.99 0.88 114.58 122.25 2wfl h GLU 173 Ca -0.00 -0.16 -0.15 0.00 -0.50 0.00 0.00 59.36 58.55 2wfl h GLU 173 Cb 0.20 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 27.95 2wfl h GLU 173 CO 0.01 0.76 -0.34 -0.44 -1.40 0.00 0.00 179.01 177.60 2wfl h ASP 174 N 0.86 0.99 -0.12 1.42 3.32 -1.77 -0.90 116.42 120.21 2wfl h ASP 174 Ca 0.21 -0.45 0.03 0.00 0.02 0.00 0.00 57.03 56.84 2wfl h ASP 174 Cb 0.18 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 2wfl h ASP 174 CO -0.02 1.24 -0.08 0.25 -1.72 0.00 0.00 179.24 178.91 2wfl h LEU 175 N 0.76 -0.25 -0.05 1.55 5.85 -1.19 -0.04 115.31 121.95 2wfl h LEU 175 Ca 0.07 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.88 2wfl h LEU 175 Cb 0.93 0.13 -0.06 0.00 0.37 0.00 0.00 40.66 42.04 2wfl h LEU 175 CO 0.09 -0.10 -0.33 -0.08 -0.34 0.00 0.00 178.44 177.67 2wfl h GLU 176 N -0.08 -0.44 -0.71 1.25 4.57 -0.70 -0.79 114.58 117.68 2wfl h GLU 176 Ca 0.08 0.03 0.15 0.00 -1.18 0.00 0.00 59.36 58.44 2wfl h GLU 176 Cb 0.19 0.10 -0.13 0.00 -0.16 0.00 0.00 28.75 28.75 2wfl h GLU 176 CO -0.17 -0.29 -0.04 1.25 -1.18 0.00 0.00 179.01 178.57 2wfl h LEU 177 N -0.46 -0.41 -0.81 1.64 5.85 -1.00 0.13 115.31 120.26 2wfl h LEU 177 Ca 0.07 0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.98 2wfl h LEU 177 Cb 0.57 0.35 -0.04 0.00 0.37 0.00 0.00 40.66 41.91 2wfl h LEU 177 CO -0.30 -0.18 0.51 0.00 -0.34 0.00 0.00 178.44 178.13 2wfl h ALA 178 N 1.67 1.02 -0.02 1.25 0.00 -0.49 -0.89 119.26 121.80 2wfl h ALA 178 Ca 0.37 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.13 2wfl h ALA 178 Cb 0.63 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2wfl h ALA 178 CO -0.65 0.46 -0.35 0.87 0.00 0.00 0.00 179.25 179.59 2wfl h LYS 179 N 1.10 0.05 0.00 0.00 1.57 0.28 -0.86 116.57 118.70 2wfl h LYS 179 Ca 0.29 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 2wfl h LYS 179 Cb -0.09 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.22 2wfl h LYS 179 CO -0.06 0.39 0.00 -1.33 -0.57 0.00 0.00 179.45 177.88 2wfl n MET 180 N -4.12 0.26 0.00 3.15 2.81 -0.11 -4.26 117.12 114.85 2wfl n MET 180 Ca -0.02 0.25 0.00 0.00 -1.81 0.00 0.00 57.70 56.12 2wfl n MET 180 Cb 0.39 -1.82 0.00 0.00 -0.71 0.00 0.00 33.22 31.08 2wfl n MET 180 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 2wfl n LEU 181 N -2.28 0.00 -4.77 4.03 4.77 -0.44 -5.05 117.00 113.27 2wfl n LEU 181 Ca 0.05 -0.07 -0.40 0.00 -0.03 0.00 0.00 56.01 55.56 2wfl n LEU 181 Cb 0.41 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.48 2wfl n LEU 181 CO 0.29 0.00 0.93 0.28 -1.33 0.00 0.00 177.39 177.57 2wfl s THR 182 N -1.40 2.79 0.29 -5.08 -1.32 -0.38 -4.71 115.64 105.83 2wfl s THR 182 Ca 0.00 0.73 0.05 0.00 -1.21 0.00 0.00 61.69 61.26 2wfl s THR 182 Cb 0.00 -3.44 -0.06 0.00 -1.51 0.00 0.00 72.50 67.49 2wfl s THR 182 CO 0.00 0.13 -0.00 -0.13 -2.21 0.00 0.00 174.62 172.41 2wfl s ARG 183 N -2.07 1.56 0.62 7.08 0.52 -1.15 -5.02 118.95 120.49 2wfl s ARG 183 Ca 0.54 -1.82 -0.18 0.00 -0.52 0.00 0.00 55.73 53.74 2wfl s ARG 183 Cb -0.37 -0.95 -0.02 0.00 0.52 0.00 0.00 34.95 34.13 2wfl s ARG 183 CO 0.48 -0.08 1.23 -2.14 0.02 0.00 0.00 175.30 174.81 2wfl s PRO 184 N -3.82 2.77 0.13 3.54 0.02 -1.26 -4.42 135.00 131.96 2wfl s PRO 184 Ca 0.32 1.87 -0.01 0.00 0.02 0.00 0.00 61.00 63.20 2wfl s PRO 184 Cb 0.06 -1.90 -0.04 0.00 0.02 0.00 0.00 34.50 32.64 2wfl s PRO 184 CO 0.13 -1.37 0.04 0.20 -0.33 0.00 0.00 177.00 175.67 2wfl s GLY 185 N -1.62 0.99 0.09 0.52 0.00 -0.33 -4.73 107.32 102.24 2wfl s GLY 185 Ca 0.78 -1.47 0.02 0.00 0.00 0.00 0.00 44.72 44.05 2wfl s GLY 185 CO 0.36 -1.38 -0.08 -0.45 0.00 0.00 0.00 173.10 171.55 2wfl s SER 186 N -3.06 1.21 0.00 1.64 0.15 -1.26 -0.45 113.70 111.93 2wfl s SER 186 Ca 0.23 -0.89 0.21 0.00 0.70 0.00 0.00 55.95 56.19 2wfl s SER 186 Cb 0.07 0.06 0.15 0.00 -1.71 0.00 0.00 66.02 64.59 2wfl s SER 186 CO 0.01 -0.37 1.14 0.18 1.20 0.00 0.00 173.24 175.41 2wfl n LEU 187 N 0.32 2.65 -3.34 3.45 4.77 -1.26 -4.96 117.00 118.63 2wfl n LEU 187 Ca -0.15 -0.98 -0.24 0.00 -0.03 0.00 0.00 56.01 54.62 2wfl n LEU 187 Cb 0.59 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.73 2wfl n LEU 187 CO 0.28 0.46 0.09 0.49 -1.33 0.00 0.00 177.39 177.38 2wfl n PHE 188 N 1.06 -2.31 -0.13 -1.77 3.72 -1.26 -4.83 117.46 111.95 2wfl n PHE 188 Ca 0.12 0.73 -0.08 0.00 -0.05 0.00 0.00 57.45 58.17 2wfl n PHE 188 Cb 0.51 -4.51 0.00 0.00 -0.94 0.00 0.00 39.48 34.54 2wfl n PHE 188 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 2wfl h PHE 189 N -1.88 0.51 -0.81 1.38 3.57 -1.96 0.37 116.94 118.12 2wfl h PHE 189 Ca -0.54 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 60.93 2wfl h PHE 189 Cb 1.36 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 39.90 2wfl h PHE 189 CO 0.54 0.32 0.34 1.96 -2.23 0.00 0.00 178.31 179.23 2wfl h GLN 190 N 0.55 1.20 -0.18 1.11 4.20 -1.99 -0.02 115.11 119.97 2wfl h GLN 190 Ca 0.15 -0.21 -0.17 0.00 0.06 0.00 0.00 58.65 58.48 2wfl h GLN 190 Cb -0.06 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.53 2wfl h GLN 190 CO -0.04 0.96 -0.56 0.22 -0.67 0.00 0.00 178.83 178.75 2wfl h ASP 191 N 1.17 0.81 0.28 1.46 3.58 -1.68 -3.02 116.42 119.01 2wfl h ASP 191 Ca 0.27 -0.59 -0.04 0.00 0.42 0.00 0.00 57.03 57.09 2wfl h ASP 191 Cb 0.20 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.00 2wfl h ASP 191 CO -0.03 1.26 -0.19 -0.07 -2.88 0.00 0.00 179.24 177.33 2wfl h LEU 192 N 0.41 0.00 -1.35 2.28 3.38 -0.02 -1.35 115.31 118.65 2wfl h LEU 192 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2wfl h LEU 192 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2wfl h LEU 192 CO 0.12 0.19 0.00 0.00 0.09 0.00 0.00 178.44 178.84 2wfl h ALA 193 N 1.81 1.00 0.00 1.53 0.00 -0.87 -3.00 119.26 119.72 2wfl h ALA 193 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wfl h ALA 193 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2wfl h ALA 193 CO 0.02 0.00 -0.97 1.63 0.00 0.00 0.00 179.25 179.93 2wfl n LYS 194 N -2.84 1.28 -1.95 0.00 5.02 -0.56 -4.92 118.16 114.18 2wfl n LYS 194 Ca 0.01 -0.03 -0.41 0.00 -2.02 0.00 0.00 58.31 55.85 2wfl n LYS 194 Cb 0.26 -1.31 -0.02 0.00 -0.02 0.00 0.00 35.03 33.94 2wfl n LYS 194 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wfl s ALA 195 N -2.70 3.67 -0.85 7.82 0.00 -0.89 -4.95 121.76 123.86 2wfl s ALA 195 Ca 0.04 1.38 -0.04 0.00 0.00 0.00 0.00 51.96 53.35 2wfl s ALA 195 Cb 0.12 -3.58 -0.00 0.00 0.00 0.00 0.00 23.12 19.66 2wfl s ALA 195 CO 0.70 -0.80 0.68 1.63 0.00 0.00 0.00 175.76 177.97 2wfl n LYS 196 N 2.47 -1.40 -1.13 0.00 5.02 -1.26 -4.64 118.16 117.22 2wfl n LYS 196 Ca 0.08 1.01 -0.34 0.00 -2.02 0.00 0.00 58.31 57.03 2wfl n LYS 196 Cb 0.39 -4.05 0.10 0.00 -0.02 0.00 0.00 35.03 31.45 2wfl n LYS 196 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2wfl n LYS 197 N -2.56 0.18 -1.89 1.97 4.81 -1.26 -4.93 118.16 114.48 2wfl n LYS 197 Ca -0.15 0.12 -0.30 0.00 -0.87 0.00 0.00 58.31 57.11 2wfl n LYS 197 Cb 0.60 -2.14 0.05 0.00 0.02 0.00 0.00 35.03 33.56 2wfl n LYS 197 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 2wfl s PHE 198 N -2.06 3.33 0.09 5.64 0.08 -1.26 -5.07 117.98 118.72 2wfl s PHE 198 Ca 0.68 1.05 0.10 0.00 0.12 0.00 0.00 56.93 58.88 2wfl s PHE 198 Cb -0.30 -3.06 -0.03 0.00 -0.57 0.00 0.00 43.02 39.05 2wfl s PHE 198 CO 0.56 -1.17 -0.26 -1.54 -0.10 0.00 0.00 175.22 172.71 2wfl s SER 199 N -4.36 3.31 0.27 1.36 1.04 -1.26 -4.46 113.70 109.60 2wfl s SER 199 Ca 0.58 -0.65 -0.04 0.00 0.48 0.00 0.00 55.95 56.31 2wfl s SER 199 Cb -0.11 -0.29 0.33 0.00 0.10 0.00 0.00 66.02 66.05 2wfl s SER 199 CO 0.52 0.22 1.93 0.74 0.98 0.00 0.00 173.24 177.63 2wfl h THR 200 N 4.02 1.24 -0.77 2.02 2.02 -1.94 -0.34 112.91 119.16 2wfl h THR 200 Ca -0.49 -0.47 0.15 0.00 0.77 0.00 0.00 66.41 66.37 2wfl h THR 200 Cb 1.16 -0.07 -0.10 0.00 -1.74 0.00 0.00 68.15 67.39 2wfl h THR 200 CO 0.42 0.24 0.29 -0.08 0.37 0.00 0.00 175.52 176.76 2wfl h GLU 201 N 1.24 0.40 0.00 6.66 4.81 -1.95 -2.55 114.58 123.19 2wfl h GLU 201 Ca 0.33 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 2wfl h GLU 201 Cb -0.11 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.18 2wfl h GLU 201 CO -0.07 0.26 0.00 0.54 -0.73 0.00 0.00 179.01 179.02 2wfl n ARG 202 N -5.03 0.00 -0.36 1.92 1.74 -1.04 -3.97 116.66 109.92 2wfl n ARG 202 Ca 0.15 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.27 2wfl n ARG 202 Cb 0.45 -0.00 0.11 0.00 -1.02 0.00 0.00 32.46 32.00 2wfl n ARG 202 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 2wfl h TYR 203 N 0.00 -0.67 0.00 -1.55 3.20 -1.45 -0.64 116.97 115.85 2wfl h TYR 203 Ca 0.00 0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.96 2wfl h TYR 203 Cb 0.00 0.45 0.00 0.00 1.54 0.00 0.00 36.73 38.72 2wfl h TYR 203 CO 0.00 -0.42 0.00 0.41 -1.64 0.00 0.00 178.16 176.51 2wfl n GLY 204 N -1.58 -1.09 0.14 1.82 0.00 -0.20 -2.48 105.19 101.80 2wfl n GLY 204 Ca 0.14 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.21 2wfl n GLY 204 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2wfl h SER 205 N 0.00 0.00 -3.37 1.61 4.64 -0.71 -3.45 113.55 112.27 2wfl h SER 205 Ca 0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 2wfl h SER 205 Cb 0.29 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.33 2wfl h SER 205 CO 0.00 0.00 0.21 -0.69 -0.87 0.00 0.00 176.83 175.48 2wfl s VAL 206 N -3.17 4.98 0.16 0.95 1.01 -1.04 -5.00 120.40 118.29 2wfl s VAL 206 Ca 0.09 1.62 -0.33 0.00 0.00 0.00 0.00 61.98 63.36 2wfl s VAL 206 Cb 0.10 -4.12 -0.13 0.00 0.00 0.00 0.00 36.38 32.22 2wfl s VAL 206 CO 0.60 0.19 1.64 1.17 0.00 0.00 0.00 175.10 178.70 2wfl n LYS 207 N 4.05 2.35 -4.48 2.72 4.81 -1.26 -4.86 118.16 121.49 2wfl n LYS 207 Ca 0.01 0.85 -0.33 0.00 -0.87 0.00 0.00 58.31 57.98 2wfl n LYS 207 Cb 0.51 -2.65 -0.10 0.00 0.02 0.00 0.00 35.03 32.81 2wfl n LYS 207 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2wfl s ARG 208 N 1.16 2.63 0.10 1.64 0.52 -1.26 -0.69 118.95 123.06 2wfl s ARG 208 Ca 0.78 -0.66 0.05 0.00 -0.52 0.00 0.00 55.73 55.38 2wfl s ARG 208 Cb -0.62 -2.55 -0.03 0.00 0.52 0.00 0.00 34.95 32.27 2wfl s ARG 208 CO 0.37 0.62 -0.12 0.00 0.02 0.00 0.00 175.30 176.19 2wfl s ALA 209 N -0.96 1.25 -0.05 2.13 0.00 0.43 -0.52 121.76 124.03 2wfl s ALA 209 Ca 0.16 -1.17 0.04 0.00 0.00 0.00 0.00 51.96 50.99 2wfl s ALA 209 Cb -0.11 -0.04 -0.00 0.00 0.00 0.00 0.00 23.12 22.97 2wfl s ALA 209 CO 0.06 0.06 -0.18 -0.47 0.00 0.00 0.00 175.76 175.23 2wfl s TYR 210 N -2.03 1.82 -0.31 0.00 5.04 -0.54 -0.26 117.35 121.08 2wfl s TYR 210 Ca 0.04 -0.58 -0.07 0.00 -2.44 0.00 0.00 57.07 54.02 2wfl s TYR 210 Cb -0.05 -1.24 0.01 0.00 0.35 0.00 0.00 41.96 41.03 2wfl s TYR 210 CO 0.02 -0.21 0.11 0.42 -1.34 0.00 0.00 175.55 174.54 2wfl s ILE 211 N 0.14 4.07 0.20 3.14 1.01 0.93 -0.16 121.20 130.54 2wfl s ILE 211 Ca -0.07 -0.75 -0.30 0.00 0.00 0.00 0.00 60.65 59.53 2wfl s ILE 211 Cb -0.13 -3.15 -0.08 0.00 0.01 0.00 0.00 42.46 39.11 2wfl s ILE 211 CO 0.03 0.00 1.01 -0.36 0.00 0.00 0.00 174.94 175.63 2wfl s PHE 212 N 1.50 3.78 -0.40 3.97 0.08 0.98 -3.44 117.98 124.45 2wfl s PHE 212 Ca 0.02 1.77 0.00 0.00 0.12 0.00 0.00 56.93 58.84 2wfl s PHE 212 Cb -0.18 -3.13 0.11 0.00 -0.57 0.00 0.00 43.02 39.26 2wfl s PHE 212 CO 0.03 -0.05 0.16 0.00 -0.10 0.00 0.00 175.22 175.26 2wfl h ASN 214 N 7.76 0.22 -0.72 0.00 4.21 -1.46 -2.48 115.58 123.12 2wfl h ASN 214 Ca -0.09 -0.06 -0.20 0.00 1.21 0.00 0.00 56.30 57.17 2wfl h ASN 214 Cb 1.03 -0.06 -0.12 0.00 -1.12 0.00 0.00 38.32 38.04 2wfl h ASN 214 CO 0.63 0.43 0.25 -0.62 -1.29 0.00 0.00 177.43 176.83 2wfl n GLU 215 N -4.22 3.75 -2.35 0.81 1.02 -0.34 -4.45 120.64 114.86 2wfl n GLU 215 Ca -0.01 -3.10 -0.43 0.00 -0.02 0.00 0.00 57.16 53.60 2wfl n GLU 215 Cb 0.31 -2.21 -0.02 0.00 -0.02 0.00 0.00 31.44 29.50 2wfl n GLU 215 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2wfl s ASP 216 N -1.08 6.85 0.00 1.62 -1.08 -0.93 -4.36 116.67 117.69 2wfl s ASP 216 Ca 0.55 1.71 0.19 0.00 -0.52 0.00 0.00 52.55 54.48 2wfl s ASP 216 Cb 0.44 -2.54 -0.14 0.00 -1.46 0.00 0.00 42.92 39.23 2wfl s ASP 216 CO 0.13 -0.84 0.84 0.29 0.52 0.00 0.00 175.17 176.12 2wfl n LYS 217 N 6.81 1.11 0.01 4.34 5.02 -1.24 -3.47 118.16 130.74 2wfl n LYS 217 Ca 0.15 -0.30 -0.17 0.00 -2.02 0.00 0.00 58.31 55.96 2wfl n LYS 217 Cb 0.45 -1.37 -0.14 0.00 -0.02 0.00 0.00 35.03 33.95 2wfl n LYS 217 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2wfl h SER 218 N 0.70 0.31 -2.92 4.39 0.87 -1.70 -3.41 113.55 111.79 2wfl h SER 218 Ca 0.00 -0.65 -0.60 0.00 -1.23 0.00 0.00 61.79 59.31 2wfl h SER 218 Cb 0.51 -0.10 -0.40 0.00 -0.44 0.00 0.00 62.40 61.97 2wfl h SER 218 CO 0.00 1.58 -0.79 0.12 -0.53 0.00 0.00 176.83 177.20 2wfl s PHE 219 N -2.58 1.92 0.74 2.24 5.36 -1.26 -5.10 117.98 119.31 2wfl s PHE 219 Ca -0.16 -2.53 -0.15 0.00 -0.96 0.00 0.00 56.93 53.13 2wfl s PHE 219 Cb 0.07 -1.65 0.01 0.00 -0.34 0.00 0.00 43.02 41.12 2wfl s PHE 219 CO 0.80 -0.75 0.93 -2.30 -1.46 0.00 0.00 175.22 172.44 2wfl n PRO 220 N 2.97 0.40 0.02 10.12 -0.02 -1.23 -4.66 135.00 142.61 2wfl n PRO 220 Ca 0.19 0.19 -0.01 0.00 -2.02 0.00 0.00 63.50 61.86 2wfl n PRO 220 Cb 0.40 -2.20 0.27 0.00 -0.02 0.00 0.00 33.50 31.95 2wfl n PRO 220 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 2wfl h VAL 221 N -0.42 1.22 -0.05 -1.45 3.04 -1.78 0.68 116.25 117.49 2wfl h VAL 221 Ca -0.47 -0.97 0.01 0.00 -1.01 0.00 0.00 66.70 64.27 2wfl h VAL 221 Cb 1.33 1.14 -0.00 0.00 -2.01 0.00 0.00 31.29 31.74 2wfl h VAL 221 CO 0.46 0.32 0.05 1.05 -1.01 0.00 0.00 177.57 178.44 2wfl h GLU 222 N 0.43 0.00 0.00 4.17 9.09 -1.93 0.13 114.58 126.47 2wfl h GLU 222 Ca 0.08 0.00 -0.27 0.00 0.05 0.00 0.00 59.36 59.22 2wfl h GLU 222 Cb 0.46 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 27.52 2wfl h GLU 222 CO 0.03 0.00 -1.63 0.35 0.05 0.00 0.00 179.01 177.81 2wfl h PHE 223 N 0.00 0.00 -0.33 2.06 3.57 -1.23 -1.94 116.94 119.07 2wfl h PHE 223 Ca 0.02 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 2wfl h PHE 223 Cb 0.13 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 2wfl h PHE 223 CO 0.00 0.95 0.03 1.96 -2.23 0.00 0.00 178.31 179.02 2wfl h GLN 224 N 0.00 0.56 -0.70 1.11 4.20 -0.61 -2.38 115.11 117.28 2wfl h GLN 224 Ca -0.25 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.28 2wfl h GLN 224 Cb 1.95 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 29.64 2wfl h GLN 224 CO 0.08 0.66 0.38 0.87 -0.67 0.00 0.00 178.83 180.15 2wfl h LYS 225 N 0.37 0.97 -0.40 1.46 1.57 -0.82 -1.53 116.57 118.19 2wfl h LYS 225 Ca 0.10 -0.11 -0.11 0.00 -1.87 0.00 0.00 60.65 58.66 2wfl h LYS 225 Cb 0.39 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 2wfl h LYS 225 CO 0.01 0.72 -0.21 2.35 -0.57 0.00 0.00 179.45 181.75 2wfl h TRP 226 N 0.98 0.89 -0.27 -1.35 7.01 -1.11 0.50 115.95 122.60 2wfl h TRP 226 Ca 0.25 -0.20 -0.00 0.00 2.11 0.00 0.00 58.89 61.05 2wfl h TRP 226 Cb 0.03 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 26.87 2wfl h TRP 226 CO 0.01 0.92 0.16 0.74 -2.79 0.00 0.00 178.44 177.48 2wfl h PHE 227 N 0.69 0.35 -0.45 2.65 0.04 -1.09 0.14 116.94 119.27 2wfl h PHE 227 Ca 0.10 -0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.84 2wfl h PHE 227 Cb 0.72 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.73 2wfl h PHE 227 CO 0.04 0.28 0.20 0.28 -0.60 0.00 0.00 178.31 178.50 2wfl h VAL 228 N 0.33 1.20 -0.00 -0.55 2.07 -0.81 0.12 116.25 118.60 2wfl h VAL 228 Ca 0.09 -0.59 0.02 0.00 0.82 0.00 0.00 66.70 67.04 2wfl h VAL 228 Cb 0.03 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 2wfl h VAL 228 CO -0.02 0.22 -0.10 -0.33 0.02 0.00 0.00 177.57 177.37 2wfl h GLU 229 N 0.59 -0.16 0.07 1.57 5.08 0.12 0.38 114.58 122.23 2wfl h GLU 229 Ca 0.15 0.01 -0.24 0.00 -1.00 0.00 0.00 59.36 58.28 2wfl h GLU 229 Cb 0.16 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2wfl h GLU 229 CO -0.02 -0.10 -1.10 0.66 -1.00 0.00 0.00 179.01 177.45 2wfl h SER 230 N -0.16 0.31 0.02 1.42 4.64 -0.58 -3.36 113.55 115.83 2wfl h SER 230 Ca 0.04 -0.31 -0.38 0.00 -0.47 0.00 0.00 61.79 60.66 2wfl h SER 230 Cb 0.21 -0.10 -0.06 0.00 -0.31 0.00 0.00 62.40 62.14 2wfl h SER 230 CO -0.10 1.21 -2.41 0.52 -0.87 0.00 0.00 176.83 175.17 2wfl n VAL 231 N -3.53 1.51 0.00 0.95 0.31 0.41 -5.09 118.33 112.89 2wfl n VAL 231 Ca -0.06 -0.61 0.00 0.00 -0.01 0.00 0.00 64.34 63.67 2wfl n VAL 231 Cb 0.95 -1.36 0.00 0.00 -0.91 0.00 0.00 33.84 32.52 2wfl n VAL 231 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wfl n GLY 232 N 2.18 -0.04 3.18 2.92 0.00 0.13 -5.04 105.19 108.52 2wfl n GLY 232 Ca -0.43 -1.52 -0.11 0.00 0.00 0.00 0.00 46.02 43.96 2wfl n GLY 232 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wfl s ALA 233 N -2.63 -0.46 0.14 4.61 0.00 -1.26 -4.91 121.76 117.24 2wfl s ALA 233 Ca 0.00 -0.10 0.07 0.00 0.00 0.00 0.00 51.96 51.94 2wfl s ALA 233 Cb 0.00 0.20 -0.13 0.00 0.00 0.00 0.00 23.12 23.18 2wfl s ALA 233 CO 0.00 -0.30 1.33 -0.44 0.00 0.00 0.00 175.76 176.34 2wfl h ASP 234 N 3.74 0.00 -3.87 0.00 3.32 -1.20 -3.45 116.42 114.97 2wfl h ASP 234 Ca -0.31 -0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.52 2wfl h ASP 234 Cb 1.19 -0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.47 2wfl h ASP 234 CO 0.44 0.95 -0.67 -0.54 -1.72 0.00 0.00 179.24 177.71 2wfl s LYS 235 N -2.83 0.08 0.08 3.56 1.02 -1.17 -5.05 119.74 115.43 2wfl s LYS 235 Ca 0.01 -0.00 0.07 0.00 0.02 0.00 0.00 55.97 56.06 2wfl s LYS 235 Cb 0.10 0.04 -0.03 0.00 -0.52 0.00 0.00 37.83 37.42 2wfl s LYS 235 CO 0.81 -0.01 -0.18 0.14 -0.92 0.00 0.00 175.35 175.19 2wfl s VAL 236 N -0.13 1.47 0.09 3.17 -7.23 -1.26 -1.47 120.40 115.05 2wfl s VAL 236 Ca -0.02 -1.36 0.02 0.00 -1.81 0.00 0.00 61.98 58.82 2wfl s VAL 236 Cb -0.01 -1.34 -0.04 0.00 0.56 0.00 0.00 36.38 35.55 2wfl s VAL 236 CO 0.00 -0.05 -0.07 -0.54 -0.31 0.00 0.00 175.10 174.13 2wfl s LYS 237 N -1.65 0.79 -0.02 4.82 -0.14 0.78 -4.94 119.74 119.38 2wfl s LYS 237 Ca 0.04 -1.24 0.05 0.00 -1.36 0.00 0.00 55.97 53.45 2wfl s LYS 237 Cb -0.10 -0.24 -0.01 0.00 -1.68 0.00 0.00 37.83 35.80 2wfl s LYS 237 CO 0.03 -0.00 -0.17 -1.83 -0.76 0.00 0.00 175.35 172.62 2wfl s GLU 238 N -3.44 1.44 -0.31 1.68 -1.05 -1.26 -0.02 118.70 115.74 2wfl s GLU 238 Ca 0.08 -0.59 -0.05 0.00 -0.15 0.00 0.00 54.97 54.26 2wfl s GLU 238 Cb 0.03 -1.35 0.03 0.00 -0.44 0.00 0.00 34.13 32.39 2wfl s GLU 238 CO -0.04 0.32 0.07 0.42 0.95 0.00 0.00 175.26 176.98 2wfl s ILE 239 N -0.27 3.63 0.29 1.83 1.01 0.10 -4.92 121.20 122.88 2wfl s ILE 239 Ca 0.04 -1.04 -0.01 0.00 0.00 0.00 0.00 60.65 59.64 2wfl s ILE 239 Cb -0.08 -2.99 0.20 0.00 0.01 0.00 0.00 42.46 39.60 2wfl s ILE 239 CO 0.00 -0.06 1.89 0.11 0.00 0.00 0.00 174.94 176.88 2wfl h LYS 240 N 8.17 0.90 -0.10 2.79 1.57 -1.98 -2.25 116.57 125.67 2wfl h LYS 240 Ca -0.26 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.37 2wfl h LYS 240 Cb 1.09 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.22 2wfl h LYS 240 CO 0.59 0.72 -0.11 0.39 -0.57 0.00 0.00 179.45 180.47 2wfl n GLU 241 N -4.33 1.76 -2.91 3.15 1.02 -1.26 -3.62 120.64 114.44 2wfl n GLU 241 Ca 0.06 -2.86 -0.40 0.00 -0.02 0.00 0.00 57.16 53.93 2wfl n GLU 241 Cb 0.15 -1.64 -0.05 0.00 -0.02 0.00 0.00 31.44 29.88 2wfl n GLU 241 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wfl s ALA 242 N -2.99 3.36 0.76 0.62 0.00 -1.19 -4.82 121.76 117.50 2wfl s ALA 242 Ca 0.37 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.72 2wfl s ALA 242 Cb 0.33 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 20.39 2wfl s ALA 242 CO 0.02 0.11 0.00 -0.40 0.00 0.00 0.00 175.76 175.49 2wfl n ASP 243 N 2.40 0.00 0.20 0.00 5.68 -1.26 -1.19 116.55 122.38 2wfl n ASP 243 Ca -0.02 -0.26 0.15 0.00 -0.50 0.00 0.00 54.79 54.16 2wfl n ASP 243 Cb 0.49 0.00 0.77 0.00 -1.14 0.00 0.00 41.12 41.24 2wfl n ASP 243 CO 0.00 0.00 0.00 -0.74 -1.33 0.00 0.00 177.20 175.13 2wfl h HIS 244 N -0.20 0.00 -2.47 2.11 -0.00 -1.75 -3.08 115.15 109.76 2wfl h HIS 244 Ca 0.00 0.00 -0.72 0.00 -0.00 0.00 0.00 60.37 59.65 2wfl h HIS 244 Cb 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 27.41 27.08 2wfl h HIS 244 CO 0.00 0.00 0.29 -1.33 -0.00 0.00 0.00 177.93 176.89 2wfl n MET 245 N -4.10 4.07 0.25 5.26 2.81 -1.13 -4.83 117.12 119.45 2wfl n MET 245 Ca 0.01 -4.67 0.09 0.00 -1.81 0.00 0.00 57.70 51.33 2wfl n MET 245 Cb 0.28 -2.40 0.63 0.00 -0.71 0.00 0.00 33.22 31.02 2wfl n MET 245 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 2wfl h GLY 246 N 4.42 0.00 1.83 3.03 0.00 -1.88 0.18 103.07 110.65 2wfl h GLY 246 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 2wfl h GLY 246 CO 1.10 0.00 0.00 1.15 0.00 0.00 0.00 176.54 178.79 2wfl n MET 247 N -4.01 0.12 -0.05 4.80 0.00 -1.26 -0.23 117.12 116.50 2wfl n MET 247 Ca -0.02 0.13 -0.06 0.00 0.00 0.00 0.00 57.70 57.75 2wfl n MET 247 Cb 0.23 -1.50 -0.06 0.00 0.00 0.00 0.00 33.22 31.89 2wfl n MET 247 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2wfl n LEU 248 N -1.41 1.15 0.04 3.17 4.77 0.44 -4.17 117.00 120.98 2wfl n LEU 248 Ca 0.07 -0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.90 2wfl n LEU 248 Cb 0.21 -0.02 -0.14 0.00 -2.33 0.00 0.00 43.42 41.14 2wfl n LEU 248 CO 0.18 0.40 -0.27 0.77 -1.33 0.00 0.00 177.39 177.13 2wfl h SER 249 N 0.00 0.20 -1.68 -1.43 4.64 -1.00 -3.41 113.55 110.87 2wfl h SER 249 Ca -0.24 -0.29 -0.44 0.00 -0.47 0.00 0.00 61.79 60.34 2wfl h SER 249 Cb 1.48 -0.07 -0.40 0.00 -0.31 0.00 0.00 62.40 63.11 2wfl h SER 249 CO -0.01 1.24 -1.18 0.00 -0.87 0.00 0.00 176.83 176.01 2wfl n GLN 250 N -3.33 1.09 -0.30 4.77 1.13 0.68 -4.92 117.38 116.50 2wfl n GLN 250 Ca -0.13 -3.38 -0.02 0.00 -1.94 0.00 0.00 57.00 51.53 2wfl n GLN 250 Cb 1.02 -1.57 0.14 0.00 0.11 0.00 0.00 30.24 29.93 2wfl n GLN 250 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 2wfl h PRO 251 N 3.00 1.18 -0.66 -1.09 0.13 -1.70 -1.46 132.00 131.41 2wfl h PRO 251 Ca 0.04 -0.11 -0.02 0.00 -0.87 0.00 0.00 66.00 65.04 2wfl h PRO 251 Cb 1.03 -0.24 -0.03 0.00 0.13 0.00 0.00 31.00 31.88 2wfl h PRO 251 CO 0.51 0.84 0.35 0.00 -0.23 0.00 0.00 178.00 179.46 2wfl h ARG 252 N 1.20 0.93 -0.62 0.86 3.08 -1.92 -2.89 114.38 115.02 2wfl h ARG 252 Ca 0.31 -0.12 -0.07 0.00 0.07 0.00 0.00 59.98 60.17 2wfl h ARG 252 Cb -0.03 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.82 2wfl h ARG 252 CO -0.06 0.72 0.12 0.93 -1.07 0.00 0.00 179.97 180.61 2wfl h GLU 253 N 0.91 1.02 -0.43 0.04 4.39 -1.80 0.97 114.58 119.68 2wfl h GLU 253 Ca 0.23 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2wfl h GLU 253 Cb 0.07 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 2wfl h GLU 253 CO -0.03 0.94 0.00 0.28 -1.16 0.00 0.00 179.01 179.04 2wfl n VAL 254 N -4.29 0.00 -0.78 3.13 0.31 -0.60 -4.54 118.33 111.56 2wfl n VAL 254 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 2wfl n VAL 254 Cb 0.27 -0.10 0.00 0.00 -0.91 0.00 0.00 33.84 33.10 2wfl n VAL 254 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2wfl n LYS 256 N 0.57 -0.86 0.00 5.55 5.02 0.33 -4.57 118.16 124.21 2wfl n LYS 256 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2wfl n LYS 256 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2wfl n LYS 256 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2wfl n LEU 258 N -0.17 0.00 -0.19 -0.35 7.94 -1.26 -1.17 117.00 121.79 2wfl n LEU 258 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2wfl n LEU 258 Cb 0.00 0.00 0.25 0.00 0.53 0.00 0.00 43.42 44.20 2wfl n LEU 258 CO 0.00 0.00 1.21 -0.07 -1.11 0.00 0.00 177.39 177.42 2wfl h LEU 259 N 0.00 0.83 0.34 -1.96 3.38 -1.93 -0.44 115.31 115.52 2wfl h LEU 259 Ca 0.00 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2wfl h LEU 259 Cb 0.00 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.55 2wfl h LEU 259 CO 0.00 0.62 -0.16 -0.78 0.09 0.00 0.00 178.44 178.21 2wfl h ASP 260 N 0.96 -0.38 -1.00 -0.43 3.58 -1.44 -1.38 116.42 116.33 2wfl h ASP 260 Ca 0.26 -0.08 0.07 0.00 0.42 0.00 0.00 57.03 57.69 2wfl h ASP 260 Cb -0.07 0.10 -0.07 0.00 1.72 0.00 0.00 39.33 41.01 2wfl h ASP 260 CO -0.05 -0.15 0.65 0.40 -2.88 0.00 0.00 179.24 177.21 2wfl h ILE 261 N -0.61 1.08 -0.00 2.25 2.04 -1.76 -2.47 117.51 118.04 2wfl h ILE 261 Ca -0.05 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.41 2wfl h ILE 261 Cb 0.44 -0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.33 2wfl h ILE 261 CO 0.08 0.21 -0.19 -1.54 0.00 0.00 0.00 178.15 176.71 2wfl n SER 262 N -4.50 0.33 0.00 1.72 3.41 -0.19 -5.05 113.62 109.34 2wfl n SER 262 Ca 0.15 -0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 2wfl n SER 262 Cb 0.19 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 2wfl n SER 262 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35