#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vgg s LEU 3 N 0.00 4.09 0.05 4.31 1.43 -1.26 -0.69 118.68 126.61 1vgg s LEU 3 Ca 0.00 0.23 -0.01 0.00 -1.03 0.00 0.00 54.13 53.32 1vgg s LEU 3 Cb 0.00 -2.42 -0.04 0.00 0.03 0.00 0.00 46.19 43.77 1vgg s LEU 3 CO 0.00 0.27 -0.03 -0.54 0.23 0.00 0.00 176.35 176.27 1vgg s LYS 4 N -1.84 0.59 -0.21 1.70 1.02 0.33 -4.99 119.74 116.34 1vgg s LYS 4 Ca 0.25 -1.14 0.01 0.00 0.02 0.00 0.00 55.97 55.11 1vgg s LYS 4 Cb -0.12 0.15 0.04 0.00 -0.52 0.00 0.00 37.83 37.38 1vgg s LYS 4 CO 0.16 -0.09 -0.12 -1.17 -0.92 0.00 0.00 175.35 173.21 1vgg s LEU 5 N -2.71 2.51 -0.30 3.17 2.96 -1.26 -0.92 118.68 122.13 1vgg s LEU 5 Ca 0.04 -0.96 -0.04 0.00 -0.22 0.00 0.00 54.13 52.96 1vgg s LEU 5 Cb 0.05 -1.35 0.04 0.00 0.50 0.00 0.00 46.19 45.43 1vgg s LEU 5 CO -0.08 -0.13 0.02 -0.63 -1.32 0.00 0.00 176.35 174.21 1vgg s ILE 6 N 1.31 3.31 0.44 6.68 1.01 0.68 -4.89 121.20 129.74 1vgg s ILE 6 Ca -0.02 -1.14 -0.23 0.00 0.00 0.00 0.00 60.65 59.27 1vgg s ILE 6 Cb -0.16 -2.82 -0.08 0.00 0.01 0.00 0.00 42.46 39.41 1vgg s ILE 6 CO -0.08 -0.03 1.08 -2.16 0.00 0.00 0.00 174.94 173.75 1vgg s PRO 7 N 1.34 3.93 -0.15 2.79 0.04 -1.26 -0.09 135.00 141.60 1vgg s PRO 7 Ca -0.02 1.55 -0.19 0.00 0.04 0.00 0.00 61.00 62.38 1vgg s PRO 7 Cb -0.19 -2.37 -0.04 0.00 0.04 0.00 0.00 34.50 31.95 1vgg s PRO 7 CO -0.00 -0.36 0.52 0.42 0.04 0.00 0.00 177.00 177.62 1vgg s ILE 8 N -1.71 5.14 -0.27 0.56 -1.09 -0.22 -4.90 121.20 118.72 1vgg s ILE 8 Ca 0.62 1.00 -0.15 0.00 -2.23 0.00 0.00 60.65 59.90 1vgg s ILE 8 Cb -0.23 -3.85 -0.04 0.00 -1.58 0.00 0.00 42.46 36.77 1vgg s ILE 8 CO 0.28 0.26 0.38 -1.61 -1.23 0.00 0.00 174.94 173.01 1vgg s GLU 9 N 1.07 4.03 -0.01 2.79 0.41 -1.26 -4.66 118.70 121.06 1vgg s GLU 9 Ca 0.26 0.07 -0.28 0.00 -0.41 0.00 0.00 54.97 54.61 1vgg s GLU 9 Cb -0.15 -3.65 0.10 0.00 -1.78 0.00 0.00 34.13 28.64 1vgg s GLU 9 CO 0.11 -0.27 0.83 -1.59 -0.49 0.00 0.00 175.26 173.84 1vgg s LYS 10 N 2.04 0.90 0.68 1.61 -2.85 -1.26 -4.94 119.74 115.92 1vgg s LYS 10 Ca 0.16 -0.17 -0.17 0.00 -1.00 0.00 0.00 55.97 54.78 1vgg s LYS 10 Cb -0.16 0.42 0.00 0.00 -2.06 0.00 0.00 37.83 36.03 1vgg s LYS 10 CO 0.10 -0.36 1.22 -2.30 0.10 0.00 0.00 175.35 174.10 1vgg n PRO 11 N 0.07 0.87 -1.75 1.78 -0.02 -1.26 -4.90 135.00 129.79 1vgg n PRO 11 Ca -0.12 0.36 -0.39 0.00 -2.02 0.00 0.00 63.50 61.32 1vgg n PRO 11 Cb 0.61 -2.45 0.03 0.00 -0.02 0.00 0.00 33.50 31.67 1vgg n PRO 11 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1vgg n GLU 12 N -2.07 1.96 -0.89 -0.52 2.13 -1.26 -2.58 120.64 117.42 1vgg n GLU 12 Ca 0.15 0.71 0.00 0.00 0.66 0.00 0.00 57.16 58.68 1vgg n GLU 12 Cb 0.49 -2.59 0.00 0.00 0.27 0.00 0.00 31.44 29.61 1vgg n GLU 12 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1vgg n ASN 13 N -0.54 -2.28 -4.72 4.31 3.02 -1.22 -4.99 115.26 108.84 1vgg n ASN 13 Ca 0.08 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.21 1vgg n ASN 13 Cb 0.43 -1.55 -0.04 0.00 -0.61 0.00 0.00 39.78 38.01 1vgg n ASN 13 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1vgg s LEU 14 N 0.00 4.41 0.12 3.41 2.96 -1.07 -4.84 118.68 123.68 1vgg s LEU 14 Ca 0.00 1.66 -0.26 0.00 -0.22 0.00 0.00 54.13 55.31 1vgg s LEU 14 Cb 0.00 -3.53 -0.07 0.00 0.50 0.00 0.00 46.19 43.09 1vgg s LEU 14 CO 0.00 -0.18 0.82 0.20 -1.32 0.00 0.00 176.35 175.86 1vgg s ASN 15 N 0.66 7.37 0.11 3.68 0.01 -1.26 -4.33 114.94 121.17 1vgg s ASN 15 Ca 0.49 1.63 0.02 0.00 -0.71 0.00 0.00 52.86 54.29 1vgg s ASN 15 Cb -0.21 -2.51 -0.04 0.00 0.41 0.00 0.00 41.25 38.89 1vgg s ASN 15 CO 0.28 0.10 -0.06 0.68 -1.51 0.00 0.00 177.10 176.58 1vgg s VAL 16 N -0.60 0.73 -0.12 1.60 -7.23 -0.35 -1.18 120.40 113.24 1vgg s VAL 16 Ca 0.39 -1.95 -0.02 0.00 -1.81 0.00 0.00 61.98 58.60 1vgg s VAL 16 Cb -0.23 -1.72 0.04 0.00 0.56 0.00 0.00 36.38 35.03 1vgg s VAL 16 CO 0.26 -0.84 -0.00 -0.63 -0.31 0.00 0.00 175.10 173.57 1vgg s ILE 17 N -3.61 0.56 -0.16 -0.62 1.01 0.17 -1.65 121.20 116.90 1vgg s ILE 17 Ca 0.13 -0.17 -0.03 0.00 0.00 0.00 0.00 60.65 60.58 1vgg s ILE 17 Cb 0.05 -0.79 -0.02 0.00 0.01 0.00 0.00 42.46 41.71 1vgg s ILE 17 CO -0.04 0.14 -0.06 -0.22 0.00 0.00 0.00 174.94 174.77 1vgg s LEU 18 N 1.88 3.06 0.00 2.97 2.96 -0.13 -0.78 118.68 128.64 1vgg s LEU 18 Ca 0.03 -0.23 -0.00 0.00 -0.22 0.00 0.00 54.13 53.71 1vgg s LEU 18 Cb -0.14 -1.74 0.00 0.00 0.50 0.00 0.00 46.19 44.82 1vgg s LEU 18 CO -0.07 0.12 0.02 0.61 -1.32 0.00 0.00 176.35 175.72 1vgg n GLY 19 N 3.82 3.09 3.13 7.98 0.00 -0.29 0.00 105.19 122.92 1vgg n GLY 19 Ca -0.18 -1.38 -0.28 0.00 0.00 0.00 0.00 46.02 44.18 1vgg n GLY 19 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1vgg s GLN 20 N -2.03 2.24 0.00 1.61 2.00 0.16 -0.72 119.66 122.93 1vgg s GLN 20 Ca 0.01 -0.65 0.00 0.00 -2.00 0.00 0.00 55.36 52.72 1vgg s GLN 20 Cb -0.00 -1.80 0.00 0.00 0.80 0.00 0.00 33.01 32.01 1vgg s GLN 20 CO 0.01 0.15 0.00 0.00 -0.50 0.00 0.00 175.29 174.95 1vgg n ALA 21 N 3.52 0.00 -3.51 1.58 0.00 0.38 -0.51 120.51 121.97 1vgg n ALA 21 Ca -0.20 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.12 1vgg n ALA 21 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 1vgg n ALA 21 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1vgg s HIS 22 N -1.46 -0.46 0.10 0.00 -3.43 -0.85 -4.75 115.29 104.44 1vgg s HIS 22 Ca 0.00 0.51 0.00 0.00 -0.80 0.00 0.00 55.06 54.77 1vgg s HIS 22 Cb 0.00 0.50 0.00 0.00 -1.43 0.00 0.00 32.58 31.65 1vgg s HIS 22 CO 0.00 -0.58 0.00 0.34 -2.00 0.00 0.00 174.74 172.50 1vgg n PHE 23 N 0.18 -1.04 0.15 0.38 -0.00 -1.26 -4.47 117.46 111.39 1vgg n PHE 23 Ca -0.13 0.55 0.17 0.00 -0.00 0.00 0.00 57.45 58.04 1vgg n PHE 23 Cb 0.61 -1.79 0.75 0.00 -0.00 0.00 0.00 39.48 39.05 1vgg n PHE 23 CO 0.00 0.00 0.00 0.97 -0.00 0.00 0.00 176.76 177.73 1vgg h ILE 24 N 0.53 0.63 0.00 -2.13 6.09 -2.01 -1.41 117.51 119.20 1vgg h ILE 24 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1vgg h ILE 24 Cb 0.00 0.83 0.00 0.00 0.47 0.00 0.00 36.82 38.12 1vgg h ILE 24 CO 0.00 0.00 0.00 1.17 -3.07 0.00 0.00 178.15 176.25 1vgg n LYS 25 N -4.09 0.00 -0.26 2.19 4.81 -1.26 -2.68 118.16 116.87 1vgg n LYS 25 Ca 0.04 0.41 0.04 0.00 -0.87 0.00 0.00 58.31 57.93 1vgg n LYS 25 Cb 0.38 -1.50 0.18 0.00 0.02 0.00 0.00 35.03 34.11 1vgg n LYS 25 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 1vgg h THR 26 N 0.00 0.75 0.62 3.15 2.02 -1.47 -1.49 112.91 116.49 1vgg h THR 26 Ca 0.00 -0.19 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 1vgg h THR 26 Cb 0.07 0.15 0.01 0.00 -1.74 0.00 0.00 68.15 66.64 1vgg h THR 26 CO 0.00 0.10 -0.30 0.58 0.37 0.00 0.00 175.52 176.27 1vgg h VAL 27 N 0.55 0.37 -0.54 3.16 2.07 -1.77 -1.09 116.25 119.00 1vgg h VAL 27 Ca 0.40 -0.10 -0.07 0.00 0.82 0.00 0.00 66.70 67.75 1vgg h VAL 27 Cb 0.54 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1vgg h VAL 27 CO -0.34 0.01 0.07 -0.33 0.02 0.00 0.00 177.57 177.00 1vgg h GLU 28 N -0.90 0.91 -0.48 1.57 5.08 -1.77 -2.05 114.58 116.95 1vgg h GLU 28 Ca -0.08 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.01 1vgg h GLU 28 Cb 0.66 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 1vgg h GLU 28 CO 0.14 0.89 0.25 -0.44 -1.00 0.00 0.00 179.01 178.85 1vgg h ASP 29 N 0.80 0.61 -0.24 1.42 5.19 -1.27 -0.69 116.42 122.23 1vgg h ASP 29 Ca 0.16 -0.10 -0.14 0.00 -0.62 0.00 0.00 57.03 56.33 1vgg h ASP 29 Cb 0.44 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.78 1vgg h ASP 29 CO 0.01 0.54 -0.34 -0.07 -3.12 0.00 0.00 179.24 176.26 1vgg h LEU 30 N 0.63 0.80 -0.19 1.55 3.38 -1.17 0.37 115.31 120.69 1vgg h LEU 30 Ca 0.17 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1vgg h LEU 30 Cb 0.07 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1vgg h LEU 30 CO -0.02 1.07 0.12 -0.74 0.09 0.00 0.00 178.44 178.95 1vgg h HIS 31 N 0.64 0.24 -0.71 1.13 2.76 -1.18 -1.23 115.15 116.80 1vgg h HIS 31 Ca 0.06 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.19 1vgg h HIS 31 Cb 0.88 -0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.73 1vgg h HIS 31 CO 0.05 0.17 0.24 0.93 -1.30 0.00 0.00 177.93 178.02 1vgg h GLU 32 N 0.24 1.07 -0.75 5.26 5.08 -0.96 -2.05 114.58 122.47 1vgg h GLU 32 Ca 0.07 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.18 1vgg h GLU 32 Cb -0.00 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.05 1vgg h GLU 32 CO -0.01 0.90 0.31 0.00 -1.00 0.00 0.00 179.01 179.21 1vgg h ALA 33 N 1.22 0.98 -0.15 3.43 0.00 -0.62 -1.82 119.26 122.30 1vgg h ALA 33 Ca 0.23 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1vgg h ALA 33 Cb 0.26 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1vgg h ALA 33 CO -0.01 0.59 -0.03 -0.07 0.00 0.00 0.00 179.25 179.72 1vgg h LEU 34 N 1.08 0.29 -1.35 0.00 3.38 -0.89 -1.56 115.31 116.25 1vgg h LEU 34 Ca 0.25 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 1vgg h LEU 34 Cb 0.19 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1vgg h LEU 34 CO -0.02 0.58 -0.14 -0.37 0.09 0.00 0.00 178.44 178.58 1vgg h VAL 35 N -0.01 0.38 0.01 1.22 -1.51 -1.34 -2.42 116.25 112.58 1vgg h VAL 35 Ca 0.04 -0.84 -0.21 0.00 -1.23 0.00 0.00 66.70 64.46 1vgg h VAL 35 Cb 0.45 1.62 -0.03 0.00 -2.13 0.00 0.00 31.29 31.20 1vgg h VAL 35 CO 0.01 0.14 -1.02 0.74 -1.23 0.00 0.00 177.57 176.21 1vgg h THR 36 N 0.00 1.70 -0.07 7.19 2.02 -1.25 -3.34 112.91 119.16 1vgg h THR 36 Ca -0.00 -3.40 -0.24 0.00 0.77 0.00 0.00 66.41 63.54 1vgg h THR 36 Cb 0.61 2.85 0.01 0.00 -1.74 0.00 0.00 68.15 69.88 1vgg h THR 36 CO 0.02 0.97 -0.91 0.00 0.37 0.00 0.00 175.52 175.97 1vgg h ALA 37 N 0.98 0.26 -3.35 6.16 0.00 -0.82 -3.45 119.26 119.04 1vgg h ALA 37 Ca -0.02 -0.65 -0.41 0.00 0.00 0.00 0.00 54.91 53.83 1vgg h ALA 37 Cb 1.78 0.01 -0.36 0.00 0.00 0.00 0.00 17.79 19.22 1vgg h ALA 37 CO 0.13 0.70 -0.76 0.08 0.00 0.00 0.00 179.25 179.41 1vgg s VAL 38 N -3.51 0.33 0.15 0.00 1.01 -0.96 -5.03 120.40 112.39 1vgg s VAL 38 Ca -0.09 0.09 -0.31 0.00 0.00 0.00 0.00 61.98 61.67 1vgg s VAL 38 Cb 0.08 -0.45 -0.08 0.00 0.00 0.00 0.00 36.38 35.92 1vgg s VAL 38 CO 0.90 0.22 1.34 -2.16 0.00 0.00 0.00 175.10 175.41 1vgg s PRO 39 N 1.57 4.36 -0.31 2.72 0.04 -1.26 -2.70 135.00 139.42 1vgg s PRO 39 Ca -0.01 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.08 1vgg s PRO 39 Cb -0.13 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.19 1vgg s PRO 39 CO -0.03 -0.34 0.00 0.41 0.04 0.00 0.00 177.00 177.08 1vgg n GLY 40 N 2.93 0.55 3.70 0.56 0.00 -1.26 -4.96 105.19 106.70 1vgg n GLY 40 Ca 0.09 -0.22 -0.44 0.00 0.00 0.00 0.00 46.02 45.45 1vgg n GLY 40 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1vgg n ILE 41 N -2.64 1.03 -3.78 -0.61 3.06 -1.10 -4.98 119.36 110.34 1vgg n ILE 41 Ca -0.03 -0.26 -0.36 0.00 -2.50 0.00 0.00 62.75 59.60 1vgg n ILE 41 Cb 0.23 -1.65 -0.12 0.00 0.54 0.00 0.00 39.64 38.64 1vgg n ILE 41 CO 0.00 0.00 0.00 -0.13 -2.50 0.00 0.00 176.55 173.92 1vgg s ARG 42 N -0.51 3.66 0.26 9.51 0.52 -1.26 -4.81 118.95 126.31 1vgg s ARG 42 Ca 0.66 -0.48 -0.15 0.00 -0.52 0.00 0.00 55.73 55.24 1vgg s ARG 42 Cb -0.59 -3.30 0.01 0.00 0.52 0.00 0.00 34.95 31.58 1vgg s ARG 42 CO 0.50 -0.16 0.57 -0.59 0.02 0.00 0.00 175.30 175.63 1vgg s PHE 43 N 1.54 0.18 -0.00 -0.53 -0.71 -1.26 -0.61 117.98 116.59 1vgg s PHE 43 Ca 0.06 -0.58 0.03 0.00 -1.04 0.00 0.00 56.93 55.39 1vgg s PHE 43 Cb -0.15 0.37 -0.01 0.00 -1.21 0.00 0.00 43.02 42.03 1vgg s PHE 43 CO 0.03 -1.09 -0.08 0.20 -1.34 0.00 0.00 175.22 172.94 1vgg s GLY 44 N -2.99 0.41 -0.02 1.99 0.00 -0.19 -1.31 107.32 105.22 1vgg s GLY 44 Ca 0.19 -0.39 0.02 0.00 0.00 0.00 0.00 44.72 44.54 1vgg s GLY 44 CO 0.09 -0.34 -0.08 -2.27 0.00 0.00 0.00 173.10 170.49 1vgg s LEU 45 N -0.33 1.85 0.02 0.66 2.96 -0.01 -0.49 118.68 123.34 1vgg s LEU 45 Ca 0.02 -0.15 0.03 0.00 -0.22 0.00 0.00 54.13 53.80 1vgg s LEU 45 Cb -0.04 -0.46 -0.02 0.00 0.50 0.00 0.00 46.19 46.18 1vgg s LEU 45 CO -0.00 0.07 -0.08 0.00 -1.32 0.00 0.00 176.35 175.01 1vgg s ALA 46 N 0.08 0.64 -0.02 5.97 0.00 -0.50 -1.64 121.76 126.29 1vgg s ALA 46 Ca -0.01 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.40 1vgg s ALA 46 Cb -0.06 -0.07 0.03 0.00 0.00 0.00 0.00 23.12 23.01 1vgg s ALA 46 CO 0.00 0.08 0.01 0.12 0.00 0.00 0.00 175.76 175.97 1vgg s PHE 47 N -0.74 0.19 -0.73 0.00 2.19 0.28 -1.12 117.98 118.04 1vgg s PHE 47 Ca -0.03 0.05 -0.19 0.00 0.33 0.00 0.00 56.93 57.09 1vgg s PHE 47 Cb -0.06 -0.31 0.11 0.00 -1.31 0.00 0.00 43.02 41.45 1vgg s PHE 47 CO 0.00 -0.10 0.90 0.45 1.83 0.00 0.00 175.22 178.30 1vgg s SER 48 N 0.94 6.36 0.18 6.13 0.15 -0.23 -0.05 113.70 127.17 1vgg s SER 48 Ca -0.09 -1.60 -0.32 0.00 0.70 0.00 0.00 55.95 54.64 1vgg s SER 48 Cb -0.12 -2.35 -0.12 0.00 -1.71 0.00 0.00 66.02 61.72 1vgg s SER 48 CO -0.02 -1.14 1.74 1.21 1.20 0.00 0.00 173.24 176.23 1vgg n GLU 49 N 6.57 2.71 -0.20 5.44 2.13 -1.13 0.01 120.64 136.18 1vgg n GLU 49 Ca 0.04 0.98 0.10 0.00 0.66 0.00 0.00 57.16 58.94 1vgg n GLU 49 Cb 0.46 -2.83 0.20 0.00 0.27 0.00 0.00 31.44 29.53 1vgg n GLU 49 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1vgg n ALA 50 N 4.41 2.37 -3.62 4.31 0.00 -1.26 -4.08 120.51 122.64 1vgg n ALA 50 Ca 0.17 -1.03 -0.07 0.00 0.00 0.00 0.00 53.44 52.50 1vgg n ALA 50 Cb 0.35 -0.72 -0.02 0.00 0.00 0.00 0.00 19.45 19.06 1vgg n ALA 50 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1vgg n SER 51 N 1.21 -0.89 0.00 0.00 3.41 -1.26 -4.92 113.62 111.17 1vgg n SER 51 Ca 0.17 -2.14 0.00 0.00 -0.26 0.00 0.00 58.87 56.64 1vgg n SER 51 Cb 0.53 1.63 0.00 0.00 -0.26 0.00 0.00 64.21 66.12 1vgg n SER 51 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1vgg n GLY 52 N -0.35 3.61 0.24 5.00 0.00 -1.26 -0.55 105.19 111.88 1vgg n GLY 52 Ca -0.00 0.05 0.17 0.00 0.00 0.00 0.00 46.02 46.23 1vgg n GLY 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vgg h LYS 53 N 0.00 0.00 -6.27 1.61 1.57 -1.98 -3.46 116.57 108.04 1vgg h LYS 53 Ca 0.00 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 58.32 1vgg h LYS 53 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1vgg h LYS 53 CO 0.00 0.00 -0.80 0.54 -0.57 0.00 0.00 179.45 178.62 1vgg n ARG 54 N -2.80 -4.92 -4.02 3.15 1.74 0.28 -4.97 116.66 105.13 1vgg n ARG 54 Ca -0.00 0.57 -0.36 0.00 -0.77 0.00 0.00 57.85 57.29 1vgg n ARG 54 Cb 0.21 -5.24 -0.07 0.00 -1.02 0.00 0.00 32.46 26.34 1vgg n ARG 54 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1vgg s LEU 55 N -7.02 4.15 0.08 0.55 1.43 -1.26 -4.81 118.68 111.80 1vgg s LEU 55 Ca 0.34 0.36 -0.31 0.00 -1.03 0.00 0.00 54.13 53.49 1vgg s LEU 55 Cb -0.17 -2.05 -0.07 0.00 0.03 0.00 0.00 46.19 43.93 1vgg s LEU 55 CO 0.84 0.38 1.32 -0.69 0.23 0.00 0.00 176.35 178.43 1vgg s VAL 56 N -1.02 3.62 0.04 -1.59 1.01 -1.26 -2.83 120.40 118.36 1vgg s VAL 56 Ca 0.16 1.15 0.02 0.00 0.00 0.00 0.00 61.98 63.30 1vgg s VAL 56 Cb -0.12 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 1vgg s VAL 56 CO 0.05 0.08 0.06 -0.13 0.00 0.00 0.00 175.10 175.16 1vgg s ARG 57 N 1.24 2.91 0.04 2.72 1.81 0.92 -4.93 118.95 123.66 1vgg s ARG 57 Ca 0.62 -0.61 -0.05 0.00 -1.72 0.00 0.00 55.73 53.97 1vgg s ARG 57 Cb -0.33 -2.75 -0.01 0.00 -0.45 0.00 0.00 34.95 31.40 1vgg s ARG 57 CO 0.29 0.60 0.08 -0.98 -0.68 0.00 0.00 175.30 174.61 1vgg s ARG 58 N -2.00 0.58 -0.03 3.54 3.03 -1.26 -0.56 118.95 122.26 1vgg s ARG 58 Ca 0.25 -0.81 -0.29 0.00 2.03 0.00 0.00 55.73 56.92 1vgg s ARG 58 Cb -0.12 0.22 0.09 0.00 -1.03 0.00 0.00 34.95 34.12 1vgg s ARG 58 CO 0.17 -0.14 0.80 0.45 -1.13 0.00 0.00 175.30 175.44 1vgg s SER 59 N -2.20 -0.50 0.00 -2.89 0.15 -0.65 -5.01 113.70 102.60 1vgg s SER 59 Ca -0.04 0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.94 1vgg s SER 59 Cb -0.00 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.76 1vgg s SER 59 CO -0.05 -0.61 0.00 0.61 1.20 0.00 0.00 173.24 174.39 1vgg n GLY 60 N 0.35 -1.76 0.02 9.45 0.00 -1.26 -0.83 105.19 111.15 1vgg n GLY 60 Ca -0.14 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.77 1vgg n GLY 60 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1vgg n THR 61 N 0.62 0.51 -3.50 2.61 -2.24 -0.42 -4.96 114.28 106.89 1vgg n THR 61 Ca 0.00 -0.76 -0.14 0.00 -2.27 0.00 0.00 64.05 60.88 1vgg n THR 61 Cb 0.00 0.75 -0.11 0.00 -2.10 0.00 0.00 70.33 68.87 1vgg n THR 61 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1vgg s ASP 62 N -0.53 0.72 0.44 3.42 -1.08 -1.13 -4.76 116.67 113.76 1vgg s ASP 62 Ca 0.01 0.17 0.12 0.00 -0.52 0.00 0.00 52.55 52.32 1vgg s ASP 62 Cb 0.00 0.71 1.02 0.00 -1.46 0.00 0.00 42.92 43.19 1vgg s ASP 62 CO 0.01 -0.29 2.05 -0.33 0.52 0.00 0.00 175.17 177.13 1vgg h GLU 63 N 8.26 0.37 -0.72 4.34 4.39 -1.93 -0.97 114.58 128.33 1vgg h GLU 63 Ca -0.17 -0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.44 1vgg h GLU 63 Cb 1.14 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.68 1vgg h GLU 63 CO 0.23 0.24 0.18 0.00 -1.16 0.00 0.00 179.01 178.50 1vgg h ALA 64 N 1.78 0.95 -0.00 3.43 0.00 -1.96 -1.00 119.26 122.46 1vgg h ALA 64 Ca 0.16 -0.25 -0.22 0.00 0.00 0.00 0.00 54.91 54.60 1vgg h ALA 64 Cb 0.17 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1vgg h ALA 64 CO -0.04 0.67 -0.93 -0.07 0.00 0.00 0.00 179.25 178.89 1vgg h LEU 65 N 1.09 0.53 -0.59 0.00 3.38 -1.68 -2.67 115.31 115.37 1vgg h LEU 65 Ca 0.23 -0.42 -0.06 0.00 0.09 0.00 0.00 57.88 57.72 1vgg h LEU 65 Cb 0.37 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1vgg h LEU 65 CO 0.00 1.22 0.15 0.58 0.09 0.00 0.00 178.44 180.48 1vgg h VAL 66 N 0.23 1.25 -0.46 1.22 2.07 -1.06 -1.33 116.25 118.17 1vgg h VAL 66 Ca -0.08 -0.89 0.01 0.00 0.82 0.00 0.00 66.70 66.57 1vgg h VAL 66 Cb 1.56 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 1vgg h VAL 66 CO 0.16 0.33 0.30 -0.08 0.02 0.00 0.00 177.57 178.30 1vgg h GLU 67 N 0.85 0.59 -0.67 1.57 4.81 -1.15 -0.42 114.58 120.15 1vgg h GLU 67 Ca 0.19 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 1vgg h GLU 67 Cb 0.34 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 1vgg h GLU 67 CO 0.00 0.39 0.33 -0.07 -0.73 0.00 0.00 179.01 178.93 1vgg h LEU 68 N 0.61 0.87 -0.37 1.64 3.38 -1.26 -0.77 115.31 119.41 1vgg h LEU 68 Ca 0.17 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1vgg h LEU 68 Cb -0.05 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 1vgg h LEU 68 CO -0.05 0.75 0.12 0.00 0.09 0.00 0.00 178.44 179.36 1vgg h ALA 69 N 1.15 0.48 -0.02 1.53 0.00 -0.81 -2.16 119.26 119.44 1vgg h ALA 69 Ca 0.23 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1vgg h ALA 69 Cb 0.11 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1vgg h ALA 69 CO -0.03 0.11 -0.00 0.28 0.00 0.00 0.00 179.25 179.60 1vgg h VAL 70 N 0.44 1.30 -0.62 0.00 2.07 -0.90 -2.09 116.25 116.46 1vgg h VAL 70 Ca 0.12 -0.90 0.04 0.00 0.82 0.00 0.00 66.70 66.78 1vgg h VAL 70 Cb 0.23 1.87 -0.05 0.00 -1.52 0.00 0.00 31.29 31.83 1vgg h VAL 70 CO -0.01 0.24 0.36 0.11 0.02 0.00 0.00 177.57 178.29 1vgg h LYS 71 N -0.33 0.68 -0.55 1.57 1.79 -1.18 -0.96 116.57 117.58 1vgg h LYS 71 Ca 0.00 -0.04 -0.09 0.00 -2.18 0.00 0.00 60.65 58.35 1vgg h LYS 71 Cb 0.39 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 30.86 1vgg h LYS 71 CO 0.00 0.45 0.01 -0.91 -1.08 0.00 0.00 179.45 177.92 1vgg h ASN 72 N 0.70 0.92 0.24 0.86 2.35 -1.40 -2.45 115.58 116.79 1vgg h ASN 72 Ca 0.26 -0.24 -0.08 0.00 -0.55 0.00 0.00 56.30 55.69 1vgg h ASN 72 Cb 0.09 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 1vgg h ASN 72 CO -0.14 0.97 -0.32 -0.07 -1.65 0.00 0.00 177.43 176.23 1vgg h LEU 73 N 0.87 0.13 -0.98 1.61 3.38 -0.83 -1.30 115.31 118.19 1vgg h LEU 73 Ca 0.16 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 1vgg h LEU 73 Cb 0.50 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1vgg h LEU 73 CO 0.02 0.45 -0.26 -0.07 0.09 0.00 0.00 178.44 178.67 1vgg h LEU 74 N 0.11 0.43 -0.17 1.67 3.38 -0.84 -0.71 115.31 119.18 1vgg h LEU 74 Ca 0.02 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 57.74 1vgg h LEU 74 Cb 0.62 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1vgg h LEU 74 CO 0.05 0.69 -0.29 0.78 0.09 0.00 0.00 178.44 179.76 1vgg h ASN 75 N 0.38 0.54 -0.67 -0.43 -0.26 -0.96 -3.24 115.58 110.94 1vgg h ASN 75 Ca 0.05 -0.54 -0.08 0.00 -0.56 0.00 0.00 56.30 55.18 1vgg h ASN 75 Cb 0.67 -0.16 -0.03 0.00 -1.06 0.00 0.00 38.32 37.74 1vgg h ASN 75 CO 0.05 0.97 0.10 -0.07 -1.06 0.00 0.00 177.43 177.42 1vgg h LEU 76 N 0.13 1.07 -2.93 1.61 3.38 -1.12 -3.47 115.31 113.97 1vgg h LEU 76 Ca 0.01 -0.26 -0.51 0.00 0.09 0.00 0.00 57.88 57.21 1vgg h LEU 76 Cb 0.87 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 1vgg h LEU 76 CO 0.06 1.06 -0.95 0.00 0.09 0.00 0.00 178.44 178.71 1vgg n ALA 77 N -2.47 -2.37 -3.94 1.53 0.00 -0.29 -4.97 120.51 108.00 1vgg n ALA 77 Ca 0.04 -0.35 -0.31 0.00 0.00 0.00 0.00 53.44 52.82 1vgg n ALA 77 Cb 0.30 -2.75 -0.16 0.00 0.00 0.00 0.00 19.45 16.84 1vgg n ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vgg n GLY 79 N 4.52 0.84 2.67 0.00 0.00 -1.26 -2.66 105.19 109.30 1vgg n GLY 79 Ca -0.19 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1vgg n GLY 79 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1vgg n HIS 80 N 1.54 0.00 -2.92 1.61 8.25 0.10 -4.95 115.22 118.85 1vgg n HIS 80 Ca 0.09 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.21 1vgg n HIS 80 Cb 0.34 -1.20 -0.07 0.00 1.12 0.00 0.00 29.99 30.18 1vgg n HIS 80 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1vgg s VAL 81 N -1.44 4.43 0.10 1.59 1.01 -1.09 -0.47 120.40 124.53 1vgg s VAL 81 Ca 0.00 1.43 0.05 0.00 0.00 0.00 0.00 61.98 63.46 1vgg s VAL 81 Cb 0.00 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 1vgg s VAL 81 CO 0.00 -0.10 -0.13 0.72 0.00 0.00 0.00 175.10 175.59 1vgg s PHE 82 N -1.90 1.25 -0.03 5.22 -0.12 0.10 -1.07 117.98 121.44 1vgg s PHE 82 Ca 0.54 -0.55 -0.01 0.00 -0.05 0.00 0.00 56.93 56.87 1vgg s PHE 82 Cb -0.13 -0.68 0.03 0.00 -0.63 0.00 0.00 43.02 41.61 1vgg s PHE 82 CO 0.18 0.08 0.03 -1.17 -0.05 0.00 0.00 175.22 174.28 1vgg s LEU 83 N -2.21 0.79 -0.14 -1.99 2.96 -0.28 -1.14 118.68 116.67 1vgg s LEU 83 Ca 0.04 0.02 -0.02 0.00 -0.22 0.00 0.00 54.13 53.95 1vgg s LEU 83 Cb -0.06 -0.17 -0.02 0.00 0.50 0.00 0.00 46.19 46.44 1vgg s LEU 83 CO 0.02 -0.16 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.18 1vgg s ILE 84 N 1.45 3.49 -0.20 6.68 1.01 0.04 -1.41 121.20 132.27 1vgg s ILE 84 Ca -0.04 -0.50 -0.01 0.00 0.00 0.00 0.00 60.65 60.09 1vgg s ILE 84 Cb -0.13 -2.50 0.00 0.00 0.01 0.00 0.00 42.46 39.84 1vgg s ILE 84 CO -0.03 0.51 -0.12 -0.69 0.00 0.00 0.00 174.94 174.61 1vgg s VAL 85 N 0.36 2.75 -0.06 2.92 1.01 0.35 -0.65 120.40 127.07 1vgg s VAL 85 Ca -0.07 -0.71 -0.09 0.00 0.00 0.00 0.00 61.98 61.10 1vgg s VAL 85 Cb -0.15 -2.21 -0.05 0.00 0.00 0.00 0.00 36.38 33.98 1vgg s VAL 85 CO 0.04 0.48 0.24 -0.76 0.00 0.00 0.00 175.10 175.11 1vgg s LEU 86 N 1.31 4.41 0.87 3.92 1.43 -0.33 -1.02 118.68 129.28 1vgg s LEU 86 Ca 0.04 0.63 -0.12 0.00 -1.03 0.00 0.00 54.13 53.66 1vgg s LEU 86 Cb -0.14 -2.31 0.11 0.00 0.03 0.00 0.00 46.19 43.88 1vgg s LEU 86 CO -0.07 0.36 1.10 -0.83 0.23 0.00 0.00 176.35 177.14 1vgg s GLY 87 N -1.14 1.61 0.27 -3.19 0.00 0.22 -4.18 107.32 100.90 1vgg s GLY 87 Ca 0.19 -0.20 -0.31 0.00 0.00 0.00 0.00 44.72 44.41 1vgg s GLY 87 CO 0.09 0.29 1.48 -2.21 0.00 0.00 0.00 173.10 172.74 1vgg n GLU 88 N -3.74 2.31 -0.29 2.90 2.13 -1.26 -1.82 120.64 120.88 1vgg n GLU 88 Ca 0.07 0.82 0.00 0.00 0.66 0.00 0.00 57.16 58.71 1vgg n GLU 88 Cb 0.56 -2.52 0.00 0.00 0.27 0.00 0.00 31.44 29.75 1vgg n GLU 88 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1vgg n GLY 89 N 2.08 1.08 3.37 8.31 0.00 -1.26 -5.02 105.19 113.75 1vgg n GLY 89 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 1vgg n GLY 89 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1vgg s PHE 90 N -2.79 2.73 0.16 1.61 0.08 -0.75 -5.13 117.98 113.89 1vgg s PHE 90 Ca 0.00 -0.58 0.10 0.00 0.12 0.00 0.00 56.93 56.58 1vgg s PHE 90 Cb 0.00 -1.76 -0.04 0.00 -0.57 0.00 0.00 43.02 40.65 1vgg s PHE 90 CO 0.00 -0.14 -0.23 0.71 -0.10 0.00 0.00 175.22 175.46 1vgg s TYR 91 N 0.05 2.11 0.40 0.36 1.51 -1.26 -4.66 117.35 115.86 1vgg s TYR 91 Ca -0.06 -0.40 0.10 0.00 -1.01 0.00 0.00 57.07 55.71 1vgg s TYR 91 Cb -0.15 -1.09 0.91 0.00 -0.11 0.00 0.00 41.96 41.52 1vgg s TYR 91 CO 0.05 0.38 1.97 -1.35 -1.11 0.00 0.00 175.55 175.49 1vgg h PRO 92 N 3.52 0.54 0.00 -1.71 0.11 -1.96 -0.30 132.00 132.19 1vgg h PRO 92 Ca -0.46 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1vgg h PRO 92 Cb 1.19 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1vgg h PRO 92 CO 0.45 0.35 -0.03 -0.84 -0.21 0.00 0.00 178.00 177.73 1vgg h ILE 93 N 0.55 0.28 0.00 4.15 3.07 -2.00 0.25 117.51 123.82 1vgg h ILE 93 Ca 0.29 -0.18 -0.13 0.00 1.55 0.00 0.00 64.86 66.38 1vgg h ILE 93 Cb 0.41 1.14 -0.02 0.00 -0.27 0.00 0.00 36.82 38.08 1vgg h ILE 93 CO -0.09 0.03 -0.63 0.78 -1.05 0.00 0.00 178.15 177.19 1vgg h ASN 94 N 0.00 0.00 0.00 2.16 -0.26 -1.46 -3.39 115.58 112.63 1vgg h ASN 94 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1vgg h ASN 94 Cb 0.13 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.39 1vgg h ASN 94 CO 0.00 0.63 0.00 1.33 -1.06 0.00 0.00 177.43 178.34 1vgg n VAL 95 N -3.55 0.00 -0.16 2.81 0.24 -0.52 -4.77 118.33 112.39 1vgg n VAL 95 Ca -0.00 -0.38 0.08 0.00 -2.04 0.00 0.00 64.34 62.00 1vgg n VAL 95 Cb 0.68 1.06 0.40 0.00 -1.47 0.00 0.00 33.84 34.51 1vgg n VAL 95 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1vgg h LEU 96 N 0.00 0.57 -0.71 1.34 3.38 -0.75 -1.28 115.31 117.86 1vgg h LEU 96 Ca 0.00 0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.07 1vgg h LEU 96 Cb 0.03 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.60 1vgg h LEU 96 CO 0.00 0.36 0.36 1.12 0.09 0.00 0.00 178.44 180.37 1vgg h HIS 97 N 0.65 0.65 -0.10 1.13 2.07 -1.85 0.15 115.15 117.85 1vgg h HIS 97 Ca 0.31 0.03 -0.14 0.00 -2.85 0.00 0.00 60.37 57.72 1vgg h HIS 97 Cb 0.37 -0.19 -0.01 0.00 2.57 0.00 0.00 27.41 30.15 1vgg h HIS 97 CO -0.00 0.24 -0.55 0.00 -3.07 0.00 0.00 177.93 174.55 1vgg h ALA 98 N 1.42 0.87 -0.08 6.11 0.00 -1.59 -1.83 119.26 124.16 1vgg h ALA 98 Ca 0.35 -0.51 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1vgg h ALA 98 Cb 0.35 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1vgg h ALA 98 CO -0.26 0.69 -0.15 0.28 0.00 0.00 0.00 179.25 179.81 1vgg h VAL 99 N 0.23 1.40 -0.94 0.00 2.07 -0.78 -2.38 116.25 115.86 1vgg h VAL 99 Ca 0.00 -1.43 0.05 0.00 0.82 0.00 0.00 66.70 66.14 1vgg h VAL 99 Cb 1.04 2.14 -0.06 0.00 -1.52 0.00 0.00 31.29 32.89 1vgg h VAL 99 CO 0.09 0.40 0.61 0.11 0.02 0.00 0.00 177.57 178.81 1vgg h LYS 100 N -0.21 1.10 0.00 1.57 1.57 -0.70 -2.42 116.57 117.48 1vgg h LYS 100 Ca 0.00 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1vgg h LYS 100 Cb 0.73 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1vgg h LYS 100 CO 0.03 0.73 -0.07 0.00 -0.57 0.00 0.00 179.45 179.57 1vgg n ALA 101 N -2.39 2.43 -1.78 3.86 0.00 -0.69 -4.86 120.51 117.09 1vgg n ALA 101 Ca 0.13 -0.10 -0.42 0.00 0.00 0.00 0.00 53.44 53.06 1vgg n ALA 101 Cb 0.14 -1.43 -0.03 0.00 0.00 0.00 0.00 19.45 18.13 1vgg n ALA 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vgg h PRO 103 N 7.92 0.00 0.00 0.00 0.11 -1.89 -1.61 132.00 136.54 1vgg h PRO 103 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1vgg h PRO 103 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1vgg h PRO 103 CO 0.94 0.00 -0.88 0.93 -0.21 0.00 0.00 178.00 178.78 1vgg h GLU 104 N 0.00 0.00 -6.48 1.05 3.07 -1.89 -3.47 114.58 106.86 1vgg h GLU 104 Ca 0.04 0.00 -0.53 0.00 -0.50 0.00 0.00 59.36 58.36 1vgg h GLU 104 Cb 0.29 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.19 1vgg h GLU 104 CO -0.00 0.00 0.47 0.08 -1.40 0.00 0.00 179.01 178.16 1vgg s VAL 105 N -3.30 4.34 -0.25 3.13 1.01 -0.61 -2.00 120.40 122.72 1vgg s VAL 105 Ca 0.02 1.73 -0.11 0.00 0.00 0.00 0.00 61.98 63.62 1vgg s VAL 105 Cb 0.11 -4.11 -0.16 0.00 0.00 0.00 0.00 36.38 32.22 1vgg s VAL 105 CO 0.77 0.16 -0.17 0.52 0.00 0.00 0.00 175.10 176.39 1vgg n VAL 106 N 3.65 1.54 -3.67 2.92 0.31 0.33 -4.89 118.33 118.52 1vgg n VAL 106 Ca 0.07 -0.39 -0.07 0.00 -0.01 0.00 0.00 64.34 63.94 1vgg n VAL 106 Cb 0.48 -1.79 -0.02 0.00 -0.91 0.00 0.00 33.84 31.60 1vgg n VAL 106 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1vgg s ARG 107 N -2.49 1.31 -0.13 5.55 1.70 -1.09 -5.01 118.95 118.79 1vgg s ARG 107 Ca -0.35 -0.65 0.02 0.00 -0.47 0.00 0.00 55.73 54.28 1vgg s ARG 107 Cb 0.11 0.50 0.01 0.00 -0.57 0.00 0.00 34.95 35.00 1vgg s ARG 107 CO 0.56 -0.59 -0.19 0.42 -1.08 0.00 0.00 175.30 174.41 1vgg s ILE 108 N -3.53 1.84 -0.03 4.99 1.01 -1.26 -0.66 121.20 123.56 1vgg s ILE 108 Ca 0.08 -0.84 -0.22 0.00 0.00 0.00 0.00 60.65 59.68 1vgg s ILE 108 Cb -0.03 -1.65 -0.26 0.00 0.01 0.00 0.00 42.46 40.53 1vgg s ILE 108 CO -0.01 0.51 1.01 1.88 0.00 0.00 0.00 174.94 178.33 1vgg h TYR 109 N 7.48 0.50 -2.71 3.97 0.05 -0.76 -3.48 116.97 122.02 1vgg h TYR 109 Ca -0.34 -0.30 -0.04 0.00 0.05 0.00 0.00 58.73 58.10 1vgg h TYR 109 Cb 1.18 -0.05 -0.14 0.00 1.01 0.00 0.00 36.73 38.73 1vgg h TYR 109 CO 0.47 1.15 0.17 0.00 -1.05 0.00 0.00 178.16 178.91 1vgg s ALA 110 N -2.92 -1.59 -0.13 3.88 0.00 -0.99 -4.87 121.76 115.14 1vgg s ALA 110 Ca -0.14 0.71 -0.04 0.00 0.00 0.00 0.00 51.96 52.49 1vgg s ALA 110 Cb 0.02 0.58 0.07 0.00 0.00 0.00 0.00 23.12 23.78 1vgg s ALA 110 CO 0.81 -0.62 0.20 0.00 0.00 0.00 0.00 175.76 176.15 1vgg s ALA 111 N -2.89 -0.28 -0.06 0.00 0.00 -1.26 -0.95 121.76 116.31 1vgg s ALA 111 Ca -0.03 0.55 -0.31 0.00 0.00 0.00 0.00 51.96 52.17 1vgg s ALA 111 Cb -0.01 -1.02 0.11 0.00 0.00 0.00 0.00 23.12 22.21 1vgg s ALA 111 CO -0.05 -0.78 1.07 -0.08 0.00 0.00 0.00 175.76 175.92 1vgg s THR 112 N 2.33 0.00 -1.02 0.00 -1.32 -0.66 -4.99 115.64 109.98 1vgg s THR 112 Ca 0.04 -0.11 0.10 0.00 -1.21 0.00 0.00 61.69 60.51 1vgg s THR 112 Cb -0.13 -1.25 0.03 0.00 -1.51 0.00 0.00 72.50 69.64 1vgg s THR 112 CO -0.08 0.00 0.69 0.00 -2.21 0.00 0.00 174.62 173.02 1vgg n ALA 113 N -0.24 2.69 -1.59 11.08 0.00 -1.26 -1.21 120.51 129.97 1vgg n ALA 113 Ca -0.05 -0.48 -0.30 0.00 0.00 0.00 0.00 53.44 52.61 1vgg n ALA 113 Cb 0.60 -0.34 0.08 0.00 0.00 0.00 0.00 19.45 19.80 1vgg n ALA 113 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1vgg s ASN 114 N -1.15 4.62 0.36 0.00 0.01 -1.26 -3.43 114.94 114.10 1vgg s ASN 114 Ca 0.09 1.30 -0.28 0.00 -0.71 0.00 0.00 52.86 53.26 1vgg s ASN 114 Cb 0.08 -2.04 -0.10 0.00 0.41 0.00 0.00 41.25 39.60 1vgg s ASN 114 CO 0.20 -1.89 1.32 -2.84 -1.51 0.00 0.00 177.10 172.38 1vgg s PRO 115 N -5.18 4.18 0.01 -0.60 0.02 -1.26 -4.73 135.00 127.45 1vgg s PRO 115 Ca 0.60 2.22 -0.01 0.00 0.02 0.00 0.00 61.00 63.83 1vgg s PRO 115 Cb -0.14 -2.93 -0.01 0.00 0.02 0.00 0.00 34.50 31.43 1vgg s PRO 115 CO 0.54 -0.34 -0.00 -0.48 -0.33 0.00 0.00 177.00 176.39 1vgg s LEU 116 N -2.08 2.12 0.03 -5.54 2.34 -1.26 -1.92 118.68 112.37 1vgg s LEU 116 Ca 0.52 -0.39 0.06 0.00 0.06 0.00 0.00 54.13 54.38 1vgg s LEU 116 Cb -0.40 0.16 -0.02 0.00 -0.56 0.00 0.00 46.19 45.37 1vgg s LEU 116 CO 0.52 -0.26 -0.17 -0.54 -1.06 0.00 0.00 176.35 174.84 1vgg s LYS 117 N -1.23 1.16 -0.15 1.48 1.02 -1.26 -1.05 119.74 119.71 1vgg s LYS 117 Ca -0.13 -0.77 -0.02 0.00 0.02 0.00 0.00 55.97 55.06 1vgg s LYS 117 Cb -0.08 -1.19 -0.02 0.00 -0.52 0.00 0.00 37.83 36.02 1vgg s LYS 117 CO -0.01 0.31 -0.08 0.08 -0.92 0.00 0.00 175.35 174.73 1vgg s VAL 118 N -0.72 3.52 -0.19 3.17 1.01 0.88 -4.50 120.40 123.57 1vgg s VAL 118 Ca 0.05 -0.49 -0.21 0.00 0.00 0.00 0.00 61.98 61.32 1vgg s VAL 118 Cb -0.08 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.76 1vgg s VAL 118 CO 0.01 0.51 0.65 -0.69 0.00 0.00 0.00 175.10 175.58 1vgg s VAL 119 N 0.38 5.01 0.13 2.92 1.01 -0.44 -0.23 120.40 129.17 1vgg s VAL 119 Ca -0.07 1.24 0.07 0.00 0.00 0.00 0.00 61.98 63.22 1vgg s VAL 119 Cb -0.15 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 1vgg s VAL 119 CO 0.04 0.11 -0.15 0.68 0.00 0.00 0.00 175.10 175.78 1vgg s VAL 120 N 1.86 1.45 -0.03 2.92 -7.23 -0.09 -0.28 120.40 119.00 1vgg s VAL 120 Ca 0.30 -1.72 0.06 0.00 -1.81 0.00 0.00 61.98 58.81 1vgg s VAL 120 Cb -0.16 -1.57 -0.02 0.00 0.56 0.00 0.00 36.38 35.19 1vgg s VAL 120 CO 0.11 -0.35 -0.21 0.00 -0.31 0.00 0.00 175.10 174.33 1vgg s ALA 121 N -1.99 2.36 -0.01 1.32 0.00 -0.26 -0.52 121.76 122.66 1vgg s ALA 121 Ca 0.09 -1.06 0.04 0.00 0.00 0.00 0.00 51.96 51.03 1vgg s ALA 121 Cb -0.06 -0.72 -0.01 0.00 0.00 0.00 0.00 23.12 22.34 1vgg s ALA 121 CO 0.04 0.54 -0.14 -2.00 0.00 0.00 0.00 175.76 174.20 1vgg s GLU 122 N -0.64 1.13 -0.26 0.00 2.12 0.13 -0.68 118.70 120.51 1vgg s GLU 122 Ca 0.10 -0.49 -0.06 0.00 0.36 0.00 0.00 54.97 54.88 1vgg s GLU 122 Cb -0.10 -1.09 0.13 0.00 0.26 0.00 0.00 34.13 33.33 1vgg s GLU 122 CO -0.00 0.29 0.51 -2.00 -0.54 0.00 0.00 175.26 173.52 1vgg s GLU 123 N -0.31 0.45 6.84 4.30 2.56 -0.55 -1.80 118.70 130.19 1vgg s GLU 123 Ca 0.05 1.05 0.00 0.00 0.00 0.00 0.00 54.97 56.07 1vgg s GLU 123 Cb -0.05 0.37 0.00 0.00 2.00 0.00 0.00 34.13 36.45 1vgg s GLU 123 CO -0.00 -0.39 0.00 0.41 -0.56 0.00 0.00 175.26 174.72 1vgg n GLY 124 N 5.41 3.04 2.03 -1.50 0.00 -1.26 -1.93 105.19 110.98 1vgg n GLY 124 Ca -0.07 -0.28 -0.22 0.00 0.00 0.00 0.00 46.02 45.45 1vgg n GLY 124 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1vgg n GLU 125 N 13.81 2.11 -4.09 1.61 1.02 -1.26 -4.91 120.64 128.93 1vgg n GLU 125 Ca 0.00 -2.38 -0.14 0.00 -0.02 0.00 0.00 57.16 54.62 1vgg n GLU 125 Cb 0.00 -1.93 -0.11 0.00 -0.02 0.00 0.00 31.44 29.37 1vgg n GLU 125 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1vgg s GLN 126 N -2.70 0.61 0.01 3.49 -0.21 -0.81 -5.01 119.66 115.04 1vgg s GLN 126 Ca 0.46 -0.84 -0.04 0.00 0.02 0.00 0.00 55.36 54.96 1vgg s GLN 126 Cb 0.37 -0.39 -0.01 0.00 1.00 0.00 0.00 33.01 33.98 1vgg s GLN 126 CO 0.04 0.07 0.07 1.03 -2.12 0.00 0.00 175.29 174.38 1vgg s ARG 127 N -1.78 0.42 -0.00 2.91 0.52 -1.26 -1.48 118.95 118.28 1vgg s ARG 127 Ca -0.07 -0.52 0.03 0.00 -0.52 0.00 0.00 55.73 54.66 1vgg s ARG 127 Cb -0.09 0.17 -0.01 0.00 0.52 0.00 0.00 34.95 35.54 1vgg s ARG 127 CO 0.00 -0.09 -0.11 0.00 0.02 0.00 0.00 175.30 175.13 1vgg s ALA 128 N -1.51 0.89 -0.22 2.13 0.00 0.15 -4.26 121.76 118.93 1vgg s ALA 128 Ca -0.15 -0.49 -0.22 0.00 0.00 0.00 0.00 51.96 51.10 1vgg s ALA 128 Cb -0.08 -0.21 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 1vgg s ALA 128 CO 0.00 0.21 0.72 0.42 0.00 0.00 0.00 175.76 177.11 1vgg s ILE 129 N -0.32 4.94 -0.12 0.00 1.01 -1.26 -1.10 121.20 124.34 1vgg s ILE 129 Ca 0.04 1.35 0.21 0.00 0.00 0.00 0.00 60.65 62.25 1vgg s ILE 129 Cb -0.04 -4.02 -0.19 0.00 0.01 0.00 0.00 42.46 38.21 1vgg s ILE 129 CO -0.00 0.02 0.68 0.18 0.00 0.00 0.00 174.94 175.82 1vgg n LEU 130 N 5.52 0.40 0.00 2.97 4.77 0.61 -4.98 117.00 126.29 1vgg n LEU 130 Ca 0.02 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1vgg n LEU 130 Cb 0.49 0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1vgg n LEU 130 CO 0.45 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 1vgg n GLY 131 N 1.29 -0.06 0.00 -0.72 0.00 -1.20 -4.99 105.19 99.51 1vgg n GLY 131 Ca -0.06 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.88 1vgg n GLY 131 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1vgg n VAL 132 N -0.50 0.00 0.00 1.61 0.24 -1.26 -1.33 118.33 117.08 1vgg n VAL 132 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1vgg n VAL 132 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1vgg n VAL 132 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1vgg n ASP 134 N 0.00 0.00 0.00 -1.34 4.64 -1.26 -4.97 116.55 113.62 1vgg n ASP 134 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 1vgg n ASP 134 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 1vgg n ASP 134 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1vgg n GLY 135 N 0.00 -0.25 3.68 0.27 0.00 -0.81 -4.93 105.19 103.14 1vgg n GLY 135 Ca 0.00 -1.04 -0.24 0.00 0.00 0.00 0.00 46.02 44.73 1vgg n GLY 135 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1vgg s PHE 136 N 0.00 2.60 0.68 1.61 0.08 -1.26 -4.98 117.98 116.72 1vgg s PHE 136 Ca 0.00 -0.46 -0.16 0.00 0.12 0.00 0.00 56.93 56.44 1vgg s PHE 136 Cb 0.00 -1.63 0.01 0.00 -0.57 0.00 0.00 43.02 40.84 1vgg s PHE 136 CO 0.00 0.38 1.17 0.95 -0.10 0.00 0.00 175.22 177.63 1vgg s THR 137 N -2.51 2.68 0.46 0.64 -4.23 -1.26 -4.98 115.64 106.43 1vgg s THR 137 Ca 0.37 0.34 -0.23 0.00 -1.18 0.00 0.00 61.69 60.99 1vgg s THR 137 Cb 0.00 -2.92 -0.07 0.00 1.34 0.00 0.00 72.50 70.85 1vgg s THR 137 CO 0.21 -0.17 1.18 -2.16 -0.54 0.00 0.00 174.62 173.14 1vgg s PRO 138 N -3.87 3.76 0.00 3.99 0.04 -1.26 -4.96 135.00 132.71 1vgg s PRO 138 Ca 0.72 1.82 0.16 0.00 0.04 0.00 0.00 61.00 63.75 1vgg s PRO 138 Cb -0.26 -2.44 0.02 0.00 0.04 0.00 0.00 34.50 31.86 1vgg s PRO 138 CO 0.42 -0.56 0.89 1.28 0.04 0.00 0.00 177.00 179.06 1vgg n LEU 139 N -0.43 1.77 0.00 -3.56 4.77 -1.26 -5.07 117.00 113.21 1vgg n LEU 139 Ca 0.07 -0.81 0.00 0.00 -0.03 0.00 0.00 56.01 55.24 1vgg n LEU 139 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1vgg n LEU 139 CO 0.49 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.49 1vgg n GLY 140 N 1.11 -0.54 3.09 -0.72 0.00 -1.26 -5.14 105.19 101.73 1vgg n GLY 140 Ca 0.07 -0.86 -0.20 0.00 0.00 0.00 0.00 46.02 45.04 1vgg n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vgg s VAL 141 N -3.24 0.95 0.36 1.61 1.01 -1.26 -5.13 120.40 114.71 1vgg s VAL 141 Ca 0.00 -0.63 -0.28 0.00 0.00 0.00 0.00 61.98 61.06 1vgg s VAL 141 Cb 0.00 -0.82 -0.11 0.00 0.00 0.00 0.00 36.38 35.45 1vgg s VAL 141 CO 0.00 0.18 1.45 -1.83 0.00 0.00 0.00 175.10 174.90 1vgg s GLU 142 N -0.52 4.17 0.47 2.72 -1.05 -1.26 -5.03 118.70 118.20 1vgg s GLU 142 Ca 0.03 2.48 0.05 0.00 -0.15 0.00 0.00 54.97 57.38 1vgg s GLU 142 Cb -0.05 -3.00 0.08 0.00 -0.44 0.00 0.00 34.13 30.72 1vgg s GLU 142 CO -0.00 -0.45 0.65 -0.40 0.95 0.00 0.00 175.26 176.00 1vgg n ASP 143 N 0.63 1.37 -0.18 0.83 5.75 -1.26 -4.85 116.55 118.84 1vgg n ASP 143 Ca 0.01 -2.04 0.05 0.00 -0.01 0.00 0.00 54.79 52.80 1vgg n ASP 143 Cb 0.40 -0.37 0.34 0.00 -1.03 0.00 0.00 41.12 40.45 1vgg n ASP 143 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1vgg h GLU 144 N 0.00 0.77 -0.66 0.11 4.39 -1.99 -0.69 114.58 116.51 1vgg h GLU 144 Ca -0.22 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.36 1vgg h GLU 144 Cb 0.92 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 29.37 1vgg h GLU 144 CO 0.28 0.51 0.13 0.00 -1.16 0.00 0.00 179.01 178.77 1vgg h ALA 145 N 1.60 0.87 -0.17 3.43 0.00 -1.99 -1.27 119.26 121.73 1vgg h ALA 145 Ca 0.30 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 1vgg h ALA 145 Cb 0.17 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1vgg h ALA 145 CO -0.09 0.62 -0.44 0.93 0.00 0.00 0.00 179.25 180.26 1vgg h GLU 146 N 1.00 0.43 -0.39 0.00 4.39 -1.70 0.07 114.58 118.38 1vgg h GLU 146 Ca 0.20 -0.22 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 1vgg h GLU 146 Cb 0.41 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 1vgg h GLU 146 CO 0.01 0.79 0.14 0.28 -1.16 0.00 0.00 179.01 179.07 1vgg h VAL 147 N 0.35 1.20 -0.45 3.13 2.07 -0.88 -1.59 116.25 120.07 1vgg h VAL 147 Ca 0.03 -0.63 -0.07 0.00 0.82 0.00 0.00 66.70 66.84 1vgg h VAL 147 Cb 0.92 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1vgg h VAL 147 CO 0.08 0.22 -0.01 0.00 0.02 0.00 0.00 177.57 177.88 1vgg h ALA 148 N 0.99 1.13 -0.18 1.67 0.00 -0.97 -2.58 119.26 119.32 1vgg h ALA 148 Ca 0.13 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1vgg h ALA 148 Cb 0.21 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1vgg h ALA 148 CO -0.01 0.56 0.09 2.35 0.00 0.00 0.00 179.25 182.24 1vgg h TRP 149 N 0.70 0.26 0.00 0.00 7.01 -0.62 -0.99 115.95 122.31 1vgg h TRP 149 Ca 0.14 -0.01 -0.11 0.00 2.11 0.00 0.00 58.89 61.02 1vgg h TRP 149 Cb 0.45 -0.08 -0.02 0.00 -2.10 0.00 0.00 29.16 27.41 1vgg h TRP 149 CO 0.02 0.26 -0.50 0.07 -2.79 0.00 0.00 178.44 175.50 1vgg h ARG 150 N 0.18 0.00 -0.22 2.65 0.11 -1.20 0.14 114.38 116.04 1vgg h ARG 150 Ca 0.06 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.07 1vgg h ARG 150 Cb 0.10 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.17 1vgg h ARG 150 CO -0.01 0.50 -0.16 0.87 0.10 0.00 0.00 179.97 181.27 1vgg h LYS 151 N 0.00 0.51 -0.50 0.08 1.57 -1.32 -2.79 116.57 114.11 1vgg h LYS 151 Ca -0.01 -0.24 -0.10 0.00 -1.87 0.00 0.00 60.65 58.43 1vgg h LYS 151 Cb 0.91 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.20 1vgg h LYS 151 CO 0.07 0.81 -0.09 0.22 -0.57 0.00 0.00 179.45 179.89 1vgg h ASP 152 N 0.20 0.91 -0.46 0.86 1.82 -0.98 -3.00 116.42 115.77 1vgg h ASP 152 Ca 0.04 -0.28 0.05 0.00 -0.39 0.00 0.00 57.03 56.45 1vgg h ASP 152 Cb 0.69 -0.25 -0.04 0.00 0.68 0.00 0.00 39.33 40.41 1vgg h ASP 152 CO 0.04 1.02 0.21 0.25 -1.61 0.00 0.00 179.24 179.15 1vgg h LEU 153 N 0.83 0.28 -1.51 2.28 5.85 -0.67 -1.29 115.31 121.09 1vgg h LEU 153 Ca 0.14 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 1vgg h LEU 153 Cb 0.61 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 1vgg h LEU 153 CO 0.04 0.20 -0.13 -0.07 -0.34 0.00 0.00 178.44 178.14 1vgg h LEU 154 N 0.42 0.15 -0.33 2.25 3.38 -1.40 -0.20 115.31 119.57 1vgg h LEU 154 Ca 0.21 -0.03 -0.19 0.00 0.09 0.00 0.00 57.88 57.96 1vgg h LEU 154 Cb 0.15 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1vgg h LEU 154 CO -0.17 0.30 -0.63 0.03 0.09 0.00 0.00 178.44 178.06 1vgg h ARG 155 N 0.15 0.72 0.00 1.13 3.08 -1.23 0.40 114.38 118.64 1vgg h ARG 155 Ca 0.03 -0.50 -0.07 0.00 0.07 0.00 0.00 59.98 59.50 1vgg h ARG 155 Cb 0.33 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 1vgg h ARG 155 CO 0.02 1.12 -0.35 0.00 -1.07 0.00 0.00 179.97 179.69 1vgg h ARG 156 N 0.53 0.00 0.00 0.04 3.08 -0.74 -2.58 114.38 114.70 1vgg h ARG 156 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1vgg h ARG 156 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.28 1vgg h ARG 156 CO 0.13 0.35 -0.19 1.28 -1.07 0.00 0.00 179.97 180.47 1vgg n LEU 157 N -3.42 0.53 0.00 3.04 4.77 -0.13 -4.93 117.00 116.86 1vgg n LEU 157 Ca 0.00 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 1vgg n LEU 157 Cb 0.53 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1vgg n LEU 157 CO 0.36 -0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 1vgg n GLY 158 N 1.39 0.75 0.11 -0.72 0.00 -0.86 -4.96 105.19 100.89 1vgg n GLY 158 Ca 0.05 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.19 1vgg n GLY 158 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1vgg h TYR 159 N 0.00 0.00 -3.98 1.61 -1.99 -1.18 -3.46 116.97 107.97 1vgg h TYR 159 Ca 0.00 0.00 -0.37 0.00 2.00 0.00 0.00 58.73 60.36 1vgg h TYR 159 Cb 0.00 0.00 -0.23 0.00 2.00 0.00 0.00 36.73 38.50 1vgg h TYR 159 CO 0.00 0.00 -0.77 0.15 -0.00 0.00 0.00 178.16 177.54 1vgg s LYS 160 N -3.28 0.72 0.00 4.88 -0.14 -1.00 -4.98 119.74 115.94 1vgg s LYS 160 Ca 0.03 -0.73 0.28 0.00 -1.36 0.00 0.00 55.97 54.19 1vgg s LYS 160 Cb 0.10 -0.66 1.14 0.00 -1.68 0.00 0.00 37.83 36.74 1vgg s LYS 160 CO 0.75 0.15 1.80 1.28 -0.76 0.00 0.00 175.35 178.58