#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 3.91 0.14 -4.62 1.43 -1.26 -0.36 118.68 117.92 1vgg s LEU 3 Ca 0.00 0.26 0.04 0.00 -1.03 0.00 0.00 54.13 53.40 1vgg s LEU 3 Cb 0.00 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 1vgg s LEU 3 CO 0.00 0.37 -0.10 -0.54 0.23 0.00 0.00 176.35 176.31 1vgg s LYS 4 N -0.81 1.04 -0.19 1.70 1.02 0.10 -4.99 119.74 117.61 1vgg s LYS 4 Ca 0.13 -1.43 0.01 0.00 0.02 0.00 0.00 55.97 54.70 1vgg s LYS 4 Cb -0.12 -0.60 0.04 0.00 -0.52 0.00 0.00 37.83 36.63 1vgg s LYS 4 CO 0.03 0.07 -0.13 -1.17 -0.92 0.00 0.00 175.35 173.23 1vgg s LEU 5 N -3.12 2.23 -0.23 3.17 2.96 -1.26 -1.13 118.68 121.31 1vgg s LEU 5 Ca 0.16 -0.81 -0.04 0.00 -0.22 0.00 0.00 54.13 53.22 1vgg s LEU 5 Cb 0.02 -1.29 -0.01 0.00 0.50 0.00 0.00 46.19 45.41 1vgg s LEU 5 CO 0.00 -0.11 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.27 1vgg s ILE 6 N 1.37 3.47 0.40 6.68 -1.09 0.28 -4.90 121.20 127.41 1vgg s ILE 6 Ca 0.00 -0.48 -0.23 0.00 -2.23 0.00 0.00 60.65 57.72 1vgg s ILE 6 Cb -0.15 -2.59 -0.10 0.00 -1.58 0.00 0.00 42.46 38.03 1vgg s ILE 6 CO -0.09 0.40 0.97 -2.16 -1.23 0.00 0.00 174.94 172.83 1vgg s PRO 7 N 1.49 4.29 -0.24 2.79 0.04 -1.26 0.24 135.00 142.34 1vgg s PRO 7 Ca 0.06 1.27 -0.06 0.00 0.04 0.00 0.00 61.00 62.31 1vgg s PRO 7 Cb -0.14 -2.42 -0.01 0.00 0.04 0.00 0.00 34.50 31.96 1vgg s PRO 7 CO -0.03 0.01 0.01 0.42 0.04 0.00 0.00 177.00 177.46 1vgg s ILE 8 N -1.90 3.81 -0.15 0.56 -1.09 0.31 -4.91 121.20 117.83 1vgg s ILE 8 Ca 0.58 -0.38 -0.08 0.00 -2.23 0.00 0.00 60.65 58.54 1vgg s ILE 8 Cb -0.15 -2.78 -0.04 0.00 -1.58 0.00 0.00 42.46 37.91 1vgg s ILE 8 CO 0.19 0.36 0.13 -1.61 -1.23 0.00 0.00 174.94 172.78 1vgg s GLU 9 N 1.54 3.69 -0.11 2.79 2.02 -1.26 -4.36 118.70 123.01 1vgg s GLU 9 Ca 0.06 -0.18 -0.30 0.00 0.02 0.00 0.00 54.97 54.56 1vgg s GLU 9 Cb -0.15 -3.25 0.12 0.00 0.10 0.00 0.00 34.13 30.95 1vgg s GLU 9 CO 0.00 0.60 1.00 -1.59 0.02 0.00 0.00 175.26 175.29 1vgg s LYS 10 N -0.51 0.62 0.12 1.61 0.00 -1.26 -4.96 119.74 115.36 1vgg s LYS 10 Ca 0.12 -0.08 -0.35 0.00 0.00 0.00 0.00 55.97 55.66 1vgg s LYS 10 Cb -0.12 0.29 -0.15 0.00 0.00 0.00 0.00 37.83 37.85 1vgg s LYS 10 CO 0.02 -0.24 1.44 -2.30 0.00 0.00 0.00 175.35 174.27 1vgg n PRO 11 N 0.20 1.58 -0.29 1.78 -0.02 -1.26 -4.83 135.00 132.16 1vgg n PRO 11 Ca -0.07 0.57 0.25 0.00 -2.02 0.00 0.00 63.50 62.22 1vgg n PRO 11 Cb 0.60 -2.26 0.46 0.00 -0.02 0.00 0.00 33.50 32.27 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 2.90 -0.06 0.00 -0.52 2.13 -1.26 -0.34 120.64 123.49 1vgg n GLU 12 Ca 0.18 1.23 0.13 0.00 0.66 0.00 0.00 57.16 59.36 1vgg n GLU 12 Cb 0.23 -2.15 0.44 0.00 0.27 0.00 0.00 31.44 30.23 1vgg n GLU 12 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1vgg n ASN 13 N -5.04 0.63 -4.87 4.31 6.94 -1.26 -4.80 115.26 111.16 1vgg n ASN 13 Ca 0.31 -0.50 -0.32 0.00 -0.02 0.00 0.00 54.58 54.05 1vgg n ASN 13 Cb 1.03 0.04 -0.05 0.00 -2.36 0.00 0.00 39.78 38.44 1vgg n ASN 13 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1vgg s LEU 14 N -2.67 4.14 0.00 -4.53 1.02 0.54 -4.84 118.68 112.35 1vgg s LEU 14 Ca 0.21 0.99 -0.01 0.00 0.02 0.00 0.00 54.13 55.35 1vgg s LEU 14 Cb 0.19 -3.77 -0.04 0.00 0.02 0.00 0.00 46.19 42.59 1vgg s LEU 14 CO 0.55 -0.11 0.11 0.20 0.02 0.00 0.00 176.35 177.13 1vgg s ASN 15 N -2.36 5.88 0.10 2.29 0.01 -1.25 -4.43 114.94 115.19 1vgg s ASN 15 Ca 0.49 0.19 0.09 0.00 -0.71 0.00 0.00 52.86 52.92 1vgg s ASN 15 Cb -0.11 -1.73 -0.03 0.00 0.41 0.00 0.00 41.25 39.78 1vgg s ASN 15 CO 0.21 0.26 -0.22 0.68 -1.51 0.00 0.00 177.10 176.51 1vgg s VAL 16 N -1.26 1.80 -0.17 1.60 -7.23 -0.47 -0.69 120.40 113.98 1vgg s VAL 16 Ca 0.25 -1.53 0.00 0.00 -1.81 0.00 0.00 61.98 58.89 1vgg s VAL 16 Cb -0.12 -1.61 0.03 0.00 0.56 0.00 0.00 36.38 35.24 1vgg s VAL 16 CO 0.16 0.00 -0.10 -0.63 -0.31 0.00 0.00 175.10 174.23 1vgg s ILE 17 N -1.10 1.41 -0.16 -0.62 1.01 -0.05 -1.48 121.20 120.21 1vgg s ILE 17 Ca 0.08 -0.72 -0.02 0.00 0.00 0.00 0.00 60.65 59.98 1vgg s ILE 17 Cb -0.10 -1.46 -0.01 0.00 0.01 0.00 0.00 42.46 40.90 1vgg s ILE 17 CO 0.04 0.26 -0.09 -0.22 0.00 0.00 0.00 174.94 174.93 1vgg s LEU 18 N 1.52 2.84 0.00 2.97 2.96 0.05 -0.83 118.68 128.18 1vgg s LEU 18 Ca 0.02 -0.32 -0.00 0.00 -0.22 0.00 0.00 54.13 53.60 1vgg s LEU 18 Cb -0.15 -1.67 0.00 0.00 0.50 0.00 0.00 46.19 44.87 1vgg s LEU 18 CO -0.09 0.11 0.06 0.61 -1.32 0.00 0.00 176.35 175.71 1vgg n GLY 19 N 3.94 3.03 3.22 7.98 0.00 -0.28 0.24 105.19 123.33 1vgg n GLY 19 Ca -0.18 -1.41 -0.31 0.00 0.00 0.00 0.00 46.02 44.13 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 -2.09 2.58 0.00 1.61 2.00 0.31 -0.90 119.66 123.17 1vgg s GLN 20 Ca 0.03 -0.83 0.00 0.00 -2.00 0.00 0.00 55.36 52.56 1vgg s GLN 20 Cb -0.00 -2.09 0.00 0.00 0.80 0.00 0.00 33.01 31.72 1vgg s GLN 20 CO 0.02 0.28 0.00 0.00 -0.50 0.00 0.00 175.29 175.09 1vgg n ALA 21 N 3.21 0.00 -3.54 1.58 0.00 0.12 -0.30 120.51 121.58 1vgg n ALA 21 Ca -0.18 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.18 1vgg n ALA 21 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.96 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 -1.27 -0.30 0.24 0.00 -3.43 -0.92 -4.78 115.29 104.83 1vgg s HIS 22 Ca 0.00 0.15 0.00 0.00 -0.80 0.00 0.00 55.06 54.41 1vgg s HIS 22 Cb 0.00 0.55 0.00 0.00 -1.43 0.00 0.00 32.58 31.70 1vgg s HIS 22 CO 0.00 -0.54 0.00 0.34 -2.00 0.00 0.00 174.74 172.54 1vgg n PHE 23 N -0.26 -2.54 0.25 0.38 7.35 -1.26 -4.42 117.46 116.96 1vgg n PHE 23 Ca -0.08 1.33 0.18 0.00 -0.76 0.00 0.00 57.45 58.13 1vgg n PHE 23 Cb 0.61 -2.57 0.89 0.00 0.35 0.00 0.00 39.48 38.76 1vgg n PHE 23 CO 0.00 0.00 0.00 0.97 -0.76 0.00 0.00 176.76 176.97 1vgg h ILE 24 N 1.35 0.28 0.00 -2.13 6.09 -2.01 -1.57 117.51 119.51 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 0.81 0.00 0.00 0.47 0.00 0.00 36.82 38.10 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 -3.48 0.04 -0.30 2.19 4.81 -1.26 -2.92 118.16 117.24 1vgg n LYS 25 Ca 0.00 0.31 0.06 0.00 -0.87 0.00 0.00 58.31 57.81 1vgg n LYS 25 Cb 0.32 -1.50 0.21 0.00 0.02 0.00 0.00 35.03 34.08 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 0.79 0.77 3.15 2.02 -1.49 -1.37 112.91 116.78 1vgg h THR 26 Ca 0.00 -0.24 -0.04 0.00 0.77 0.00 0.00 66.41 66.91 1vgg h THR 26 Cb 0.14 0.04 0.01 0.00 -1.74 0.00 0.00 68.15 66.59 1vgg h THR 26 CO 0.00 0.13 -0.37 0.58 0.37 0.00 0.00 175.52 176.22 1vgg h VAL 27 N 0.69 0.17 -0.60 3.16 2.07 -1.80 -0.72 116.25 119.21 1vgg h VAL 27 Ca 0.45 -0.12 -0.07 0.00 0.82 0.00 0.00 66.70 67.78 1vgg h VAL 27 Cb 0.57 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1vgg h VAL 27 CO -0.33 0.01 0.10 -0.33 0.02 0.00 0.00 177.57 177.05 1vgg h GLU 28 N -1.14 0.97 -0.52 1.57 5.08 -1.78 -2.00 114.58 116.76 1vgg h GLU 28 Ca -0.11 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 57.98 1vgg h GLU 28 Cb 0.81 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 1vgg h GLU 28 CO 0.17 0.90 0.19 -0.44 -1.00 0.00 0.00 179.01 178.83 1vgg h ASP 29 N 0.92 0.73 -0.24 1.42 5.19 -1.22 -1.13 116.42 122.10 1vgg h ASP 29 Ca 0.19 -0.18 -0.16 0.00 -0.62 0.00 0.00 57.03 56.25 1vgg h ASP 29 Cb 0.39 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.71 1vgg h ASP 29 CO 0.01 0.72 -0.45 -0.07 -3.12 0.00 0.00 179.24 176.32 1vgg h LEU 30 N 0.70 0.87 -0.33 1.55 3.38 -1.04 -0.12 115.31 120.33 1vgg h LEU 30 Ca 0.17 -0.42 0.02 0.00 0.09 0.00 0.00 57.88 57.74 1vgg h LEU 30 Cb 0.23 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1vgg h LEU 30 CO -0.01 1.19 0.16 -0.74 0.09 0.00 0.00 178.44 179.13 1vgg h HIS 31 N 0.64 0.29 -0.65 1.13 2.76 -1.23 -0.63 115.15 117.45 1vgg h HIS 31 Ca 0.04 0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.14 1vgg h HIS 31 Cb 1.03 -0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.88 1vgg h HIS 31 CO 0.06 0.15 0.09 0.93 -1.30 0.00 0.00 177.93 177.86 1vgg h GLU 32 N 0.33 1.09 -0.79 5.26 5.08 -1.07 -2.07 114.58 122.40 1vgg h GLU 32 Ca 0.14 -0.30 -0.03 0.00 -1.00 0.00 0.00 59.36 58.18 1vgg h GLU 32 Cb 0.06 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 1vgg h GLU 32 CO -0.10 1.01 0.40 0.00 -1.00 0.00 0.00 179.01 179.31 1vgg h ALA 33 N 1.07 1.02 -0.14 3.43 0.00 -0.57 -1.35 119.26 122.72 1vgg h ALA 33 Ca 0.20 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1vgg h ALA 33 Cb 0.46 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1vgg h ALA 33 CO 0.02 0.57 -0.01 -0.07 0.00 0.00 0.00 179.25 179.75 1vgg h LEU 34 N 1.12 0.25 -1.26 0.00 3.38 -0.87 -2.01 115.31 115.91 1vgg h LEU 34 Ca 0.27 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1vgg h LEU 34 Cb 0.09 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1vgg h LEU 34 CO -0.04 0.53 -0.06 -0.37 0.09 0.00 0.00 178.44 178.59 1vgg h VAL 35 N -0.03 0.15 0.00 1.22 -1.51 -1.30 -2.54 116.25 112.24 1vgg h VAL 35 Ca 0.04 -0.71 -0.20 0.00 -1.23 0.00 0.00 66.70 64.59 1vgg h VAL 35 Cb 0.41 1.62 -0.03 0.00 -2.13 0.00 0.00 31.29 31.15 1vgg h VAL 35 CO 0.01 0.06 -1.01 0.74 -1.23 0.00 0.00 177.57 176.13 1vgg h THR 36 N 0.00 1.50 0.01 7.19 2.02 -1.16 -3.36 112.91 119.10 1vgg h THR 36 Ca -0.00 -3.17 -0.27 0.00 0.77 0.00 0.00 66.41 63.74 1vgg h THR 36 Cb 0.61 2.73 0.02 0.00 -1.74 0.00 0.00 68.15 69.78 1vgg h THR 36 CO 0.01 0.85 -1.05 0.00 0.37 0.00 0.00 175.52 175.70 1vgg h ALA 37 N 1.07 0.14 -3.37 6.16 0.00 -0.97 -3.45 119.26 118.85 1vgg h ALA 37 Ca -0.04 -0.71 -0.42 0.00 0.00 0.00 0.00 54.91 53.74 1vgg h ALA 37 Cb 1.74 0.05 -0.36 0.00 0.00 0.00 0.00 17.79 19.23 1vgg h ALA 37 CO 0.11 0.70 -0.77 0.08 0.00 0.00 0.00 179.25 179.38 1vgg s VAL 38 N -3.29 0.47 0.16 0.00 1.01 -1.01 -5.02 120.40 112.74 1vgg s VAL 38 Ca -0.09 -0.02 -0.31 0.00 0.00 0.00 0.00 61.98 61.56 1vgg s VAL 38 Cb 0.07 -0.56 -0.08 0.00 0.00 0.00 0.00 36.38 35.81 1vgg s VAL 38 CO 0.92 0.24 1.36 -2.16 0.00 0.00 0.00 175.10 175.46 1vgg s PRO 39 N 1.37 4.34 -0.71 2.72 0.04 -1.26 -2.78 135.00 138.73 1vgg s PRO 39 Ca -0.04 2.09 0.00 0.00 0.04 0.00 0.00 61.00 63.09 1vgg s PRO 39 Cb -0.13 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.19 1vgg s PRO 39 CO -0.03 -0.36 0.00 0.41 0.04 0.00 0.00 177.00 177.07 1vgg n GLY 40 N 2.91 0.85 3.76 0.56 0.00 -1.26 -4.97 105.19 107.04 1vgg n GLY 40 Ca 0.09 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 1vgg n GLY 40 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1vgg s ILE 41 N -2.07 2.24 -0.14 -0.61 2.07 -1.12 -5.00 121.20 116.57 1vgg s ILE 41 Ca 0.00 0.22 -0.02 0.00 -1.41 0.00 0.00 60.65 59.45 1vgg s ILE 41 Cb 0.00 -3.14 -0.02 0.00 0.13 0.00 0.00 42.46 39.43 1vgg s ILE 41 CO 0.00 0.05 -0.09 -0.13 -1.91 0.00 0.00 174.94 172.86 1vgg s ARG 42 N -1.37 3.47 0.23 3.50 1.81 -1.26 -4.85 118.95 120.48 1vgg s ARG 42 Ca 0.56 -0.61 -0.23 0.00 -1.72 0.00 0.00 55.73 53.73 1vgg s ARG 42 Cb -0.45 -2.74 0.04 0.00 -0.45 0.00 0.00 34.95 31.34 1vgg s ARG 42 CO 0.55 0.25 0.83 -0.59 -0.68 0.00 0.00 175.30 175.65 1vgg s PHE 43 N 0.29 -0.15 -0.02 -0.53 -0.71 -1.26 -0.51 117.98 115.09 1vgg s PHE 43 Ca -0.07 -0.24 0.03 0.00 -1.04 0.00 0.00 56.93 55.61 1vgg s PHE 43 Cb -0.15 0.68 -0.00 0.00 -1.21 0.00 0.00 43.02 42.34 1vgg s PHE 43 CO 0.04 -1.07 -0.10 0.20 -1.34 0.00 0.00 175.22 172.95 1vgg s GLY 44 N -2.94 0.56 -0.01 1.99 0.00 -0.28 -1.48 107.32 105.15 1vgg s GLY 44 Ca 0.12 -0.42 0.03 0.00 0.00 0.00 0.00 44.72 44.45 1vgg s GLY 44 CO 0.05 -0.24 -0.11 -2.27 0.00 0.00 0.00 173.10 170.54 1vgg s LEU 45 N -0.02 1.98 0.01 0.66 2.96 0.05 -0.49 118.68 123.84 1vgg s LEU 45 Ca 0.00 -0.20 0.00 0.00 -0.22 0.00 0.00 54.13 53.71 1vgg s LEU 45 Cb -0.07 -0.57 -0.01 0.00 0.50 0.00 0.00 46.19 46.04 1vgg s LEU 45 CO 0.00 0.12 -0.02 0.00 -1.32 0.00 0.00 176.35 175.13 1vgg s ALA 46 N -0.17 0.08 -0.02 5.97 0.00 -0.43 -1.50 121.76 125.70 1vgg s ALA 46 Ca 0.03 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 51.61 1vgg s ALA 46 Cb -0.05 0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.18 1vgg s ALA 46 CO -0.00 -0.10 0.01 0.12 0.00 0.00 0.00 175.76 175.78 1vgg s PHE 47 N -0.95 0.15 -0.58 0.00 2.19 0.56 -1.07 117.98 118.28 1vgg s PHE 47 Ca -0.10 0.04 -0.19 0.00 0.33 0.00 0.00 56.93 57.01 1vgg s PHE 47 Cb -0.06 -0.24 0.10 0.00 -1.31 0.00 0.00 43.02 41.51 1vgg s PHE 47 CO -0.01 -0.07 0.68 0.45 1.83 0.00 0.00 175.22 178.10 1vgg s SER 48 N 0.69 6.18 0.12 6.13 0.15 -0.21 -0.08 113.70 126.68 1vgg s SER 48 Ca -0.06 -1.43 -0.32 0.00 0.70 0.00 0.00 55.95 54.83 1vgg s SER 48 Cb -0.09 -2.29 -0.12 0.00 -1.71 0.00 0.00 66.02 61.81 1vgg s SER 48 CO -0.02 -1.08 1.76 1.21 1.20 0.00 0.00 173.24 176.32 1vgg n GLU 49 N 6.22 2.55 0.01 5.44 2.13 -1.11 -0.07 120.64 135.80 1vgg n GLU 49 Ca -0.10 0.92 0.12 0.00 0.66 0.00 0.00 57.16 58.76 1vgg n GLU 49 Cb 0.42 -2.77 0.20 0.00 0.27 0.00 0.00 31.44 29.57 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 4.92 3.58 -3.00 4.31 0.00 -1.26 -4.11 120.51 124.95 1vgg n ALA 50 Ca 0.18 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1vgg n ALA 50 Cb 0.34 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.70 1vgg n ALA 50 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1vgg n SER 51 N -1.57 0.00 0.00 0.00 7.64 -1.26 -4.89 113.62 113.53 1vgg n SER 51 Ca 0.05 -0.71 0.00 0.00 1.01 0.00 0.00 58.87 59.22 1vgg n SER 51 Cb 0.35 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 1vgg n SER 51 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1vgg n GLY 52 N 0.00 3.43 0.00 0.23 0.00 -1.26 -0.77 105.19 106.81 1vgg n GLY 52 Ca 0.00 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.03 1vgg n GLY 52 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vgg n LYS 53 N 13.82 0.31 -3.76 1.61 5.02 -1.26 -4.93 118.16 128.97 1vgg n LYS 53 Ca 0.00 0.03 -0.22 0.00 -2.02 0.00 0.00 58.31 56.10 1vgg n LYS 53 Cb 0.00 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.53 1vgg n LYS 53 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1vgg n ARG 54 N -1.33 -4.52 -3.97 1.97 1.74 0.05 -4.97 116.66 105.62 1vgg n ARG 54 Ca 0.12 0.57 -0.36 0.00 -0.77 0.00 0.00 57.85 57.40 1vgg n ARG 54 Cb 0.24 -5.02 -0.07 0.00 -1.02 0.00 0.00 32.46 26.59 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 -6.75 4.19 0.17 0.55 1.43 -1.26 -4.80 118.68 112.21 1vgg s LEU 55 Ca 0.00 0.37 -0.31 0.00 -1.03 0.00 0.00 54.13 53.17 1vgg s LEU 55 Cb -0.00 -2.02 -0.09 0.00 0.03 0.00 0.00 46.19 44.12 1vgg s LEU 55 CO 0.83 0.38 1.36 -0.69 0.23 0.00 0.00 176.35 178.46 1vgg s VAL 56 N -0.83 3.19 0.04 -1.59 1.01 -1.26 -2.75 120.40 118.21 1vgg s VAL 56 Ca 0.14 0.92 0.04 0.00 0.00 0.00 0.00 61.98 63.08 1vgg s VAL 56 Cb -0.12 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1vgg s VAL 56 CO 0.03 0.11 -0.06 -0.13 0.00 0.00 0.00 175.10 175.05 1vgg s ARG 57 N 0.41 2.47 0.10 2.72 1.81 0.89 -4.95 118.95 122.41 1vgg s ARG 57 Ca 0.61 -0.81 -0.10 0.00 -1.72 0.00 0.00 55.73 53.71 1vgg s ARG 57 Cb -0.37 -2.48 0.00 0.00 -0.45 0.00 0.00 34.95 31.65 1vgg s ARG 57 CO 0.35 0.57 0.23 -0.98 -0.68 0.00 0.00 175.30 174.79 1vgg s ARG 58 N -1.79 0.90 0.01 3.54 3.03 -1.26 -0.32 118.95 123.05 1vgg s ARG 58 Ca 0.20 -0.92 -0.28 0.00 2.03 0.00 0.00 55.73 56.76 1vgg s ARG 58 Cb -0.11 0.37 0.09 0.00 -1.03 0.00 0.00 34.95 34.27 1vgg s ARG 58 CO 0.11 -0.30 0.79 0.45 -1.13 0.00 0.00 175.30 175.23 1vgg s SER 59 N -2.86 -0.47 0.00 -2.89 0.15 -0.56 -5.01 113.70 102.07 1vgg s SER 59 Ca 0.05 0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.87 1vgg s SER 59 Cb 0.04 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.81 1vgg s SER 59 CO -0.11 -0.67 0.00 0.61 1.20 0.00 0.00 173.24 174.27 1vgg n GLY 60 N 0.03 -1.85 0.36 9.45 0.00 -1.26 -0.77 105.19 111.16 1vgg n GLY 60 Ca -0.13 -1.14 0.05 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.05 0.00 -3.73 2.61 -2.24 -0.55 -4.94 114.28 105.39 1vgg n THR 61 Ca 0.00 -0.47 -0.19 0.00 -2.27 0.00 0.00 64.05 61.12 1vgg n THR 61 Cb 0.00 1.19 -0.17 0.00 -2.10 0.00 0.00 70.33 69.25 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 -0.99 0.88 0.18 3.42 3.68 -1.19 -4.83 116.67 117.82 1vgg s ASP 62 Ca 0.11 0.04 -0.13 0.00 2.13 0.00 0.00 52.55 54.71 1vgg s ASP 62 Cb 0.08 -0.16 0.12 0.00 -1.45 0.00 0.00 42.92 41.51 1vgg s ASP 62 CO 0.16 -0.20 1.82 -0.08 0.13 0.00 0.00 175.17 176.99 1vgg h GLU 63 N 8.06 0.63 -0.77 4.34 4.81 -1.92 -0.76 114.58 128.96 1vgg h GLU 63 Ca -0.23 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 58.95 1vgg h GLU 63 Cb 1.12 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 30.32 1vgg h GLU 63 CO 0.27 0.41 0.43 0.00 -0.73 0.00 0.00 179.01 179.39 1vgg h ALA 64 N 1.25 1.29 -0.12 2.92 0.00 -1.97 -0.86 119.26 121.77 1vgg h ALA 64 Ca 0.22 -0.11 -0.19 0.00 0.00 0.00 0.00 54.91 54.83 1vgg h ALA 64 Cb 0.03 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 1vgg h ALA 64 CO -0.10 0.58 -0.71 -0.07 0.00 0.00 0.00 179.25 178.94 1vgg h LEU 65 N 1.08 0.64 -0.29 0.00 3.38 -1.76 -1.99 115.31 116.38 1vgg h LEU 65 Ca 0.27 -0.41 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 1vgg h LEU 65 Cb 0.02 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1vgg h LEU 65 CO -0.04 1.16 0.02 0.58 0.09 0.00 0.00 178.44 180.25 1vgg h VAL 66 N 0.38 1.25 -0.68 1.22 2.07 -0.88 -1.22 116.25 118.39 1vgg h VAL 66 Ca -0.03 -0.88 0.05 0.00 0.82 0.00 0.00 66.70 66.66 1vgg h VAL 66 Cb 1.30 1.26 -0.05 0.00 -1.52 0.00 0.00 31.29 32.28 1vgg h VAL 66 CO 0.13 0.28 0.40 -0.08 0.02 0.00 0.00 177.57 178.33 1vgg h GLU 67 N 0.30 0.74 -0.57 1.57 4.57 -1.13 -0.93 114.58 119.14 1vgg h GLU 67 Ca 0.08 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.18 1vgg h GLU 67 Cb 0.39 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.79 1vgg h GLU 67 CO 0.01 0.49 0.21 1.25 -1.18 0.00 0.00 179.01 179.80 1vgg h LEU 68 N 0.77 0.79 -0.51 1.64 5.85 -1.15 -0.57 115.31 122.13 1vgg h LEU 68 Ca 0.29 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1vgg h LEU 68 Cb 0.11 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 1vgg h LEU 68 CO -0.15 0.76 0.26 0.00 -0.34 0.00 0.00 178.44 178.97 1vgg h ALA 69 N 1.06 0.65 -0.25 1.25 0.00 -0.71 -1.60 119.26 119.67 1vgg h ALA 69 Ca 0.19 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1vgg h ALA 69 Cb 0.22 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1vgg h ALA 69 CO -0.01 0.19 -0.02 0.28 0.00 0.00 0.00 179.25 179.69 1vgg h VAL 70 N 0.67 1.26 -0.62 0.00 2.07 -0.96 -1.72 116.25 116.97 1vgg h VAL 70 Ca 0.18 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.74 1vgg h VAL 70 Cb 0.08 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 1vgg h VAL 70 CO -0.03 0.30 0.39 0.11 0.02 0.00 0.00 177.57 178.36 1vgg h LYS 71 N 0.22 0.82 -0.44 1.57 1.79 -1.01 0.05 116.57 119.57 1vgg h LYS 71 Ca 0.07 -0.06 -0.04 0.00 -2.18 0.00 0.00 60.65 58.44 1vgg h LYS 71 Cb 0.45 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 30.90 1vgg h LYS 71 CO 0.02 0.57 0.12 -0.91 -1.08 0.00 0.00 179.45 178.16 1vgg h ASN 72 N 0.83 0.66 -0.17 0.86 2.35 -1.25 -2.67 115.58 116.20 1vgg h ASN 72 Ca 0.22 -0.22 -0.06 0.00 -0.55 0.00 0.00 56.30 55.69 1vgg h ASN 72 Cb -0.06 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.12 1vgg h ASN 72 CO -0.05 0.71 -0.07 0.25 -1.65 0.00 0.00 177.43 176.62 1vgg h LEU 73 N 0.58 0.47 -1.06 1.61 5.85 -0.94 -1.45 115.31 120.37 1vgg h LEU 73 Ca 0.14 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 1vgg h LEU 73 Cb 0.30 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1vgg h LEU 73 CO -0.00 0.59 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.61 1vgg h LEU 74 N 0.46 0.62 -0.49 2.25 3.38 -0.81 0.00 115.31 120.73 1vgg h LEU 74 Ca 0.09 -0.14 -0.16 0.00 0.09 0.00 0.00 57.88 57.77 1vgg h LEU 74 Cb 0.42 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1vgg h LEU 74 CO 0.02 0.70 -0.48 0.78 0.09 0.00 0.00 178.44 179.55 1vgg h ASN 75 N 0.62 0.75 -0.34 -0.43 2.35 -1.05 -3.16 115.58 114.32 1vgg h ASN 75 Ca 0.12 -0.37 -0.08 0.00 -0.55 0.00 0.00 56.30 55.43 1vgg h ASN 75 Cb 0.41 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 1vgg h ASN 75 CO 0.02 1.11 -0.08 -0.07 -1.65 0.00 0.00 177.43 176.75 1vgg h LEU 76 N 0.54 0.66 -2.84 1.61 3.38 -0.88 -3.48 115.31 114.32 1vgg h LEU 76 Ca 0.03 -0.36 -0.47 0.00 0.09 0.00 0.00 57.88 57.16 1vgg h LEU 76 Cb 1.04 -0.18 0.03 0.00 0.09 0.00 0.00 40.66 41.63 1vgg h LEU 76 CO 0.10 0.87 -0.93 0.00 0.09 0.00 0.00 178.44 178.57 1vgg n ALA 77 N -2.42 -2.37 -3.79 1.53 0.00 -0.05 -4.99 120.51 108.42 1vgg n ALA 77 Ca -0.02 -0.29 -0.29 0.00 0.00 0.00 0.00 53.44 52.84 1vgg n ALA 77 Cb 0.34 -3.05 -0.17 0.00 0.00 0.00 0.00 19.45 16.58 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 4.40 0.92 2.58 0.00 0.00 -1.26 -2.68 105.19 109.15 1vgg n GLY 79 Ca -0.18 0.43 -0.01 0.00 0.00 0.00 0.00 46.02 46.26 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 1.47 0.00 -3.05 1.61 8.25 0.89 -4.93 115.22 119.47 1vgg n HIS 80 Ca 0.08 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.20 1vgg n HIS 80 Cb 0.35 -1.23 -0.06 0.00 1.12 0.00 0.00 29.99 30.16 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 -1.46 4.57 0.09 1.59 1.01 -1.09 -0.70 120.40 124.41 1vgg s VAL 81 Ca 0.00 1.18 0.05 0.00 0.00 0.00 0.00 61.98 63.21 1vgg s VAL 81 Cb 0.00 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 1vgg s VAL 81 CO 0.00 -0.09 -0.13 0.72 0.00 0.00 0.00 175.10 175.61 1vgg s PHE 82 N -1.87 1.20 -0.02 5.22 -0.12 -0.08 -1.05 117.98 121.27 1vgg s PHE 82 Ca 0.52 -0.53 0.00 0.00 -0.05 0.00 0.00 56.93 56.87 1vgg s PHE 82 Cb -0.12 -0.66 0.03 0.00 -0.63 0.00 0.00 43.02 41.63 1vgg s PHE 82 CO 0.18 0.06 0.03 -1.17 -0.05 0.00 0.00 175.22 174.27 1vgg s LEU 83 N -2.08 1.20 -0.09 -1.99 2.96 -0.23 -1.12 118.68 117.32 1vgg s LEU 83 Ca 0.02 0.03 0.03 0.00 -0.22 0.00 0.00 54.13 54.00 1vgg s LEU 83 Cb -0.07 -0.07 -0.01 0.00 0.50 0.00 0.00 46.19 46.54 1vgg s LEU 83 CO 0.02 -0.11 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.11 1vgg s ILE 84 N 0.93 2.50 -0.18 6.68 1.01 -0.01 -1.31 121.20 130.82 1vgg s ILE 84 Ca -0.08 -0.88 -0.01 0.00 0.00 0.00 0.00 60.65 59.68 1vgg s ILE 84 Cb -0.11 -1.98 0.00 0.00 0.01 0.00 0.00 42.46 40.38 1vgg s ILE 84 CO -0.03 0.55 -0.12 -0.69 0.00 0.00 0.00 174.94 174.66 1vgg s VAL 85 N 0.10 2.80 -0.04 2.92 1.01 0.36 -0.87 120.40 126.67 1vgg s VAL 85 Ca -0.09 -0.70 -0.14 0.00 0.00 0.00 0.00 61.98 61.04 1vgg s VAL 85 Cb -0.15 -2.22 -0.05 0.00 0.00 0.00 0.00 36.38 33.95 1vgg s VAL 85 CO 0.06 0.49 0.37 -0.76 0.00 0.00 0.00 175.10 175.26 1vgg s LEU 86 N 1.14 4.42 0.96 3.92 1.43 0.13 -1.13 118.68 129.56 1vgg s LEU 86 Ca 0.01 0.85 -0.12 0.00 -1.03 0.00 0.00 54.13 53.84 1vgg s LEU 86 Cb -0.14 -2.52 0.17 0.00 0.03 0.00 0.00 46.19 43.72 1vgg s LEU 86 CO -0.04 0.28 1.09 -0.83 0.23 0.00 0.00 176.35 177.08 1vgg s GLY 87 N -0.75 1.59 0.19 -3.19 0.00 0.33 -3.79 107.32 101.69 1vgg s GLY 87 Ca 0.22 -0.21 -0.33 0.00 0.00 0.00 0.00 44.72 44.40 1vgg s GLY 87 CO 0.11 0.35 1.56 -2.21 0.00 0.00 0.00 173.10 172.92 1vgg n GLU 88 N -4.10 2.22 -0.43 2.90 2.13 -1.26 -1.97 120.64 120.13 1vgg n GLU 88 Ca 0.06 0.80 0.00 0.00 0.66 0.00 0.00 57.16 58.68 1vgg n GLU 88 Cb 0.56 -2.55 0.00 0.00 0.27 0.00 0.00 31.44 29.72 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 3.17 0.85 3.30 8.31 0.00 -1.26 -5.02 105.19 114.55 1vgg n GLY 89 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.92 2.77 0.20 1.61 0.08 -0.83 -5.12 117.98 113.76 1vgg s PHE 90 Ca 0.00 -0.88 0.11 0.00 0.12 0.00 0.00 56.93 56.28 1vgg s PHE 90 Cb 0.00 -1.85 -0.04 0.00 -0.57 0.00 0.00 43.02 40.56 1vgg s PHE 90 CO 0.00 -0.36 -0.20 0.71 -0.10 0.00 0.00 175.22 175.27 1vgg s TYR 91 N 0.57 2.37 0.36 0.36 1.51 -1.26 -4.63 117.35 116.63 1vgg s TYR 91 Ca -0.09 -0.33 0.06 0.00 -1.01 0.00 0.00 57.07 55.70 1vgg s TYR 91 Cb -0.16 -1.16 0.76 0.00 -0.11 0.00 0.00 41.96 41.29 1vgg s TYR 91 CO 0.04 0.52 1.95 -1.35 -1.11 0.00 0.00 175.55 175.60 1vgg h PRO 92 N 3.04 0.72 0.00 -1.71 0.11 -1.96 -0.15 132.00 132.06 1vgg h PRO 92 Ca -0.46 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 1vgg h PRO 92 Cb 1.21 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 1vgg h PRO 92 CO 0.50 0.48 -0.03 -0.84 -0.21 0.00 0.00 178.00 177.90 1vgg h ILE 93 N 0.74 0.51 -0.02 4.15 3.07 -1.99 0.34 117.51 124.30 1vgg h ILE 93 Ca 0.32 -0.14 -0.17 0.00 1.55 0.00 0.00 64.86 66.42 1vgg h ILE 93 Cb 0.31 1.09 -0.01 0.00 -0.27 0.00 0.00 36.82 37.94 1vgg h ILE 93 CO -0.11 0.03 -0.76 0.78 -1.05 0.00 0.00 178.15 177.04 1vgg h ASN 94 N 0.00 0.19 0.00 2.16 -0.26 -1.43 -3.39 115.58 112.84 1vgg h ASN 94 Ca -0.00 -0.13 0.00 0.00 -0.56 0.00 0.00 56.30 55.61 1vgg h ASN 94 Cb 0.09 -0.06 0.00 0.00 -1.06 0.00 0.00 38.32 37.29 1vgg h ASN 94 CO 0.00 0.88 0.00 1.33 -1.06 0.00 0.00 177.43 178.58 1vgg n VAL 95 N -3.72 0.00 -0.13 2.81 0.24 -0.68 -4.74 118.33 112.11 1vgg n VAL 95 Ca -0.02 -0.45 0.14 0.00 -2.04 0.00 0.00 64.34 61.96 1vgg n VAL 95 Cb 0.73 1.03 0.50 0.00 -1.47 0.00 0.00 33.84 34.63 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 0.38 -0.81 1.34 3.38 -0.57 -0.84 115.31 118.19 1vgg h LEU 96 Ca 0.00 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.05 1vgg h LEU 96 Cb 0.01 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.64 1vgg h LEU 96 CO 0.00 0.21 0.49 1.12 0.09 0.00 0.00 178.44 180.35 1vgg h HIS 97 N 0.41 0.91 -0.03 1.13 2.07 -1.85 0.14 115.15 117.93 1vgg h HIS 97 Ca 0.33 0.03 -0.18 0.00 -2.85 0.00 0.00 60.37 57.70 1vgg h HIS 97 Cb 0.73 -0.29 -0.01 0.00 2.57 0.00 0.00 27.41 30.41 1vgg h HIS 97 CO -0.00 0.45 -0.76 0.00 -3.07 0.00 0.00 177.93 174.56 1vgg h ALA 98 N 1.39 0.66 -0.16 6.11 0.00 -1.51 -1.71 119.26 124.05 1vgg h ALA 98 Ca 0.36 -0.64 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 1vgg h ALA 98 Cb 0.18 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1vgg h ALA 98 CO -0.18 0.83 -0.21 0.28 0.00 0.00 0.00 179.25 179.98 1vgg h VAL 99 N 0.14 1.35 -0.85 0.00 2.07 -0.90 -2.43 116.25 115.62 1vgg h VAL 99 Ca -0.03 -1.41 0.02 0.00 0.82 0.00 0.00 66.70 66.10 1vgg h VAL 99 Cb 1.33 1.90 -0.05 0.00 -1.52 0.00 0.00 31.29 32.96 1vgg h VAL 99 CO 0.12 0.42 0.56 0.11 0.02 0.00 0.00 177.57 178.80 1vgg h LYS 100 N 0.05 1.09 0.00 1.57 1.57 -0.69 -2.69 116.57 117.46 1vgg h LYS 100 Ca 0.02 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1vgg h LYS 100 Cb 0.77 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1vgg h LYS 100 CO 0.05 0.72 0.00 0.00 -0.57 0.00 0.00 179.45 179.65 1vgg n ALA 101 N -2.34 2.32 -1.80 3.86 0.00 -0.65 -4.84 120.51 117.06 1vgg n ALA 101 Ca 0.10 -0.09 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1vgg n ALA 101 Cb 0.05 -1.47 -0.03 0.00 0.00 0.00 0.00 19.45 18.00 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 8.28 0.00 0.00 0.00 0.13 -1.90 -1.59 132.00 136.93 1vgg h PRO 103 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1vgg h PRO 103 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1vgg h PRO 103 CO 0.94 0.00 -0.92 0.93 -0.23 0.00 0.00 178.00 178.72 1vgg h GLU 104 N 0.00 0.00 -6.41 0.86 3.07 -1.89 -3.47 114.58 106.74 1vgg h GLU 104 Ca 0.05 0.00 -0.54 0.00 -0.50 0.00 0.00 59.36 58.37 1vgg h GLU 104 Cb 0.43 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.33 1vgg h GLU 104 CO -0.00 0.00 0.54 0.08 -1.40 0.00 0.00 179.01 178.22 1vgg s VAL 105 N -3.34 4.36 -0.23 3.13 1.01 -0.60 -2.17 120.40 122.56 1vgg s VAL 105 Ca 0.00 1.69 -0.11 0.00 0.00 0.00 0.00 61.98 63.57 1vgg s VAL 105 Cb 0.10 -4.08 -0.18 0.00 0.00 0.00 0.00 36.38 32.21 1vgg s VAL 105 CO 0.78 0.10 -0.04 0.52 0.00 0.00 0.00 175.10 176.45 1vgg n VAL 106 N 4.10 1.57 -3.71 2.92 0.31 0.59 -4.88 118.33 119.23 1vgg n VAL 106 Ca 0.08 -0.39 -0.06 0.00 -0.01 0.00 0.00 64.34 63.97 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 -2.48 1.28 -0.15 5.55 1.70 -1.07 -5.00 118.95 118.78 1vgg s ARG 107 Ca -0.32 -0.67 0.01 0.00 -0.47 0.00 0.00 55.73 54.28 1vgg s ARG 107 Cb 0.10 0.47 0.02 0.00 -0.57 0.00 0.00 34.95 34.96 1vgg s ARG 107 CO 0.60 -0.58 -0.18 0.42 -1.08 0.00 0.00 175.30 174.47 1vgg s ILE 108 N -3.44 1.83 0.08 4.99 1.01 -1.26 -0.53 121.20 123.87 1vgg s ILE 108 Ca 0.10 -0.81 -0.11 0.00 0.00 0.00 0.00 60.65 59.83 1vgg s ILE 108 Cb -0.02 -1.66 -0.25 0.00 0.01 0.00 0.00 42.46 40.54 1vgg s ILE 108 CO 0.00 0.50 1.18 1.88 0.00 0.00 0.00 174.94 178.50 1vgg h TYR 109 N 7.73 0.87 -2.31 3.97 0.05 -0.55 -3.48 116.97 123.26 1vgg h TYR 109 Ca -0.38 -0.52 -0.01 0.00 0.05 0.00 0.00 58.73 57.86 1vgg h TYR 109 Cb 1.16 -0.08 -0.17 0.00 1.01 0.00 0.00 36.73 38.65 1vgg h TYR 109 CO 0.47 1.36 0.27 0.00 -1.05 0.00 0.00 178.16 179.21 1vgg s ALA 110 N -3.10 -1.74 -0.22 3.88 0.00 -0.95 -4.83 121.76 114.80 1vgg s ALA 110 Ca -0.08 1.04 -0.03 0.00 0.00 0.00 0.00 51.96 52.89 1vgg s ALA 110 Cb 0.07 0.26 0.10 0.00 0.00 0.00 0.00 23.12 23.55 1vgg s ALA 110 CO 0.91 -0.53 0.25 0.00 0.00 0.00 0.00 175.76 176.39 1vgg s ALA 111 N -2.23 -0.39 0.10 0.00 0.00 -1.26 -0.77 121.76 117.22 1vgg s ALA 111 Ca -0.04 0.25 -0.26 0.00 0.00 0.00 0.00 51.96 51.91 1vgg s ALA 111 Cb -0.00 -1.43 0.08 0.00 0.00 0.00 0.00 23.12 21.76 1vgg s ALA 111 CO -0.00 -1.29 0.83 -0.08 0.00 0.00 0.00 175.76 175.22 1vgg s THR 112 N 2.35 0.00 -1.12 0.00 -1.32 -0.55 -4.98 115.64 110.03 1vgg s THR 112 Ca 0.08 -0.27 0.10 0.00 -1.21 0.00 0.00 61.69 60.39 1vgg s THR 112 Cb -0.15 -1.35 0.05 0.00 -1.51 0.00 0.00 72.50 69.54 1vgg s THR 112 CO -0.16 0.00 0.75 0.00 -2.21 0.00 0.00 174.62 173.01 1vgg n ALA 113 N -0.35 2.57 -1.81 11.08 0.00 -1.26 -1.36 120.51 129.37 1vgg n ALA 113 Ca -0.09 -0.53 -0.30 0.00 0.00 0.00 0.00 53.44 52.51 1vgg n ALA 113 Cb 0.62 -0.33 0.05 0.00 0.00 0.00 0.00 19.45 19.79 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 -0.96 5.33 0.26 0.00 0.01 -1.26 -4.78 114.94 113.54 1vgg s ASN 114 Ca 0.10 1.20 -0.31 0.00 -0.71 0.00 0.00 52.86 53.14 1vgg s ASN 114 Cb 0.08 -2.01 -0.12 0.00 0.41 0.00 0.00 41.25 39.61 1vgg s ASN 114 CO 0.16 -1.42 1.62 -2.65 -1.51 0.00 0.00 177.10 173.29 1vgg n PRO 115 N -3.07 2.66 -4.58 -0.60 -0.02 -1.26 -4.73 135.00 123.40 1vgg n PRO 115 Ca 0.07 0.95 -0.24 0.00 -2.02 0.00 0.00 63.50 62.25 1vgg n PRO 115 Cb 0.57 -2.74 -0.17 0.00 -0.02 0.00 0.00 33.50 31.14 1vgg n PRO 115 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1vgg s LEU 116 N 0.05 1.65 -0.02 2.45 2.96 -1.26 -1.41 118.68 123.10 1vgg s LEU 116 Ca 0.68 -0.29 0.05 0.00 -0.22 0.00 0.00 54.13 54.35 1vgg s LEU 116 Cb -0.52 -0.81 -0.01 0.00 0.50 0.00 0.00 46.19 45.35 1vgg s LEU 116 CO 0.44 0.04 -0.18 -0.54 -1.32 0.00 0.00 176.35 174.78 1vgg s LYS 117 N 0.64 1.49 -0.16 1.98 1.02 -1.26 -0.53 119.74 122.92 1vgg s LYS 117 Ca -0.14 -0.64 -0.04 0.00 0.02 0.00 0.00 55.97 55.17 1vgg s LYS 117 Cb -0.15 -1.43 -0.03 0.00 -0.52 0.00 0.00 37.83 35.70 1vgg s LYS 117 CO 0.04 0.38 -0.03 0.08 -0.92 0.00 0.00 175.35 174.89 1vgg s VAL 118 N -0.38 3.87 -0.19 3.17 1.01 0.14 -4.48 120.40 123.54 1vgg s VAL 118 Ca 0.06 -0.36 -0.21 0.00 0.00 0.00 0.00 61.98 61.47 1vgg s VAL 118 Cb -0.07 -2.71 -0.02 0.00 0.00 0.00 0.00 36.38 33.58 1vgg s VAL 118 CO -0.00 0.48 0.66 -0.69 0.00 0.00 0.00 175.10 175.55 1vgg s VAL 119 N 0.51 5.00 0.12 2.92 1.01 0.26 -0.56 120.40 129.67 1vgg s VAL 119 Ca -0.03 1.26 0.07 0.00 0.00 0.00 0.00 61.98 63.28 1vgg s VAL 119 Cb -0.14 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 1vgg s VAL 119 CO 0.03 0.11 -0.17 0.68 0.00 0.00 0.00 175.10 175.74 1vgg s VAL 120 N 1.88 1.55 -0.07 2.92 -7.23 -0.28 -0.21 120.40 118.97 1vgg s VAL 120 Ca 0.30 -1.65 0.02 0.00 -1.81 0.00 0.00 61.98 58.84 1vgg s VAL 120 Cb -0.16 -1.55 -0.03 0.00 0.56 0.00 0.00 36.38 35.20 1vgg s VAL 120 CO 0.11 -0.25 -0.11 0.00 -0.31 0.00 0.00 175.10 174.54 1vgg s ALA 121 N -1.67 2.79 -0.03 1.32 0.00 -0.26 -0.72 121.76 123.19 1vgg s ALA 121 Ca 0.08 -0.93 0.05 0.00 0.00 0.00 0.00 51.96 51.16 1vgg s ALA 121 Cb -0.08 -1.11 -0.01 0.00 0.00 0.00 0.00 23.12 21.93 1vgg s ALA 121 CO 0.04 0.52 -0.17 -2.00 0.00 0.00 0.00 175.76 174.15 1vgg s GLU 122 N -0.62 1.58 -0.23 0.00 2.12 0.52 -0.86 118.70 121.20 1vgg s GLU 122 Ca 0.09 -0.61 -0.04 0.00 0.36 0.00 0.00 54.97 54.78 1vgg s GLU 122 Cb -0.11 -1.44 0.12 0.00 0.26 0.00 0.00 34.13 32.96 1vgg s GLU 122 CO 0.01 0.30 0.40 -2.00 -0.54 0.00 0.00 175.26 173.44 1vgg s GLU 123 N -0.17 0.35 6.80 4.30 2.56 -0.45 -1.41 118.70 130.67 1vgg s GLU 123 Ca 0.01 0.69 0.00 0.00 0.00 0.00 0.00 54.97 55.67 1vgg s GLU 123 Cb -0.09 -0.21 0.00 0.00 2.00 0.00 0.00 34.13 35.83 1vgg s GLU 123 CO 0.01 -0.54 0.00 0.41 -0.56 0.00 0.00 175.26 174.58 1vgg n GLY 124 N 5.37 2.73 2.32 -1.50 0.00 -1.26 -2.12 105.19 110.73 1vgg n GLY 124 Ca -0.05 -0.33 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 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 13.58 2.77 -4.19 1.61 1.02 -1.26 -4.90 120.64 129.26 1vgg n GLU 125 Ca 0.00 -3.37 -0.16 0.00 -0.02 0.00 0.00 57.16 53.61 1vgg n GLU 125 Cb 0.00 -2.29 -0.14 0.00 -0.02 0.00 0.00 31.44 28.99 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 -3.82 0.54 0.05 3.49 -0.21 -0.90 -5.01 119.66 113.79 1vgg s GLN 126 Ca 0.64 -0.38 0.02 0.00 0.02 0.00 0.00 55.36 55.66 1vgg s GLN 126 Cb 0.50 -0.48 -0.03 0.00 1.00 0.00 0.00 33.01 34.01 1vgg s GLN 126 CO -0.01 0.12 -0.08 1.03 -2.12 0.00 0.00 175.29 174.23 1vgg s ARG 127 N -0.53 0.54 -0.02 2.91 0.52 -1.26 -1.35 118.95 119.77 1vgg s ARG 127 Ca -0.00 -0.79 0.03 0.00 -0.52 0.00 0.00 55.73 54.44 1vgg s ARG 127 Cb -0.04 -0.28 -0.00 0.00 0.52 0.00 0.00 34.95 35.14 1vgg s ARG 127 CO 0.00 0.04 -0.10 0.00 0.02 0.00 0.00 175.30 175.27 1vgg s ALA 128 N -1.52 0.88 -0.26 2.13 0.00 -0.04 -4.33 121.76 118.62 1vgg s ALA 128 Ca -0.09 -0.40 -0.26 0.00 0.00 0.00 0.00 51.96 51.21 1vgg s ALA 128 Cb -0.09 -0.28 0.00 0.00 0.00 0.00 0.00 23.12 22.76 1vgg s ALA 128 CO 0.00 0.18 0.90 0.42 0.00 0.00 0.00 175.76 177.26 1vgg s ILE 129 N -0.03 4.76 -0.13 0.00 1.01 -1.26 -1.10 121.20 124.45 1vgg s ILE 129 Ca 0.00 1.63 0.20 0.00 0.00 0.00 0.00 60.65 62.48 1vgg s ILE 129 Cb -0.06 -4.20 -0.20 0.00 0.01 0.00 0.00 42.46 38.01 1vgg s ILE 129 CO 0.00 -0.17 0.61 0.18 0.00 0.00 0.00 174.94 175.56 1vgg n LEU 130 N 6.20 0.43 0.00 2.97 4.77 0.71 -4.98 117.00 127.10 1vgg n LEU 130 Ca 0.07 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 1vgg n LEU 130 Cb 0.47 0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 1vgg n LEU 130 CO 0.50 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 1vgg n GLY 131 N 1.39 0.27 0.00 -0.72 0.00 -1.15 -4.98 105.19 100.00 1vgg n GLY 131 Ca -0.11 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.51 0.00 0.00 1.61 0.24 -1.26 -0.57 118.33 117.84 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 -4.98 116.55 113.61 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 -0.48 3.73 0.27 0.00 -0.50 -4.95 105.19 103.26 1vgg n GLY 135 Ca 0.00 -1.11 -0.24 0.00 0.00 0.00 0.00 46.02 44.67 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 2.62 0.69 1.61 0.08 -1.26 -4.97 117.98 116.74 1vgg s PHE 136 Ca 0.00 -0.55 -0.15 0.00 0.12 0.00 0.00 56.93 56.35 1vgg s PHE 136 Cb 0.00 -1.89 0.02 0.00 -0.57 0.00 0.00 43.02 40.58 1vgg s PHE 136 CO 0.00 0.22 1.17 0.95 -0.10 0.00 0.00 175.22 177.46 1vgg s THR 137 N -2.57 2.70 0.45 0.64 -4.23 -1.26 -4.99 115.64 106.38 1vgg s THR 137 Ca 0.40 0.35 -0.23 0.00 -1.18 0.00 0.00 61.69 61.03 1vgg s THR 137 Cb 0.03 -2.91 -0.08 0.00 1.34 0.00 0.00 72.50 70.88 1vgg s THR 137 CO 0.22 -0.18 1.12 -2.16 -0.54 0.00 0.00 174.62 173.08 1vgg s PRO 138 N -3.90 3.84 0.00 3.99 0.04 -1.26 -4.96 135.00 132.76 1vgg s PRO 138 Ca 0.72 1.65 0.15 0.00 0.04 0.00 0.00 61.00 63.57 1vgg s PRO 138 Cb -0.26 -2.39 0.06 0.00 0.04 0.00 0.00 34.50 31.96 1vgg s PRO 138 CO 0.42 -0.45 0.91 1.28 0.04 0.00 0.00 177.00 179.20 1vgg n LEU 139 N -0.47 1.95 0.00 -3.56 4.77 -1.26 -5.07 117.00 113.36 1vgg n LEU 139 Ca 0.07 -0.89 0.00 0.00 -0.03 0.00 0.00 56.01 55.16 1vgg n LEU 139 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1vgg n LEU 139 CO 0.46 0.36 0.00 0.61 -1.33 0.00 0.00 177.39 177.49 1vgg n GLY 140 N 1.00 -1.26 3.31 -0.72 0.00 -1.26 -5.14 105.19 101.11 1vgg n GLY 140 Ca 0.08 -1.10 -0.32 0.00 0.00 0.00 0.00 46.02 44.68 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 -3.00 2.24 0.46 1.61 1.01 -1.26 -5.11 120.40 116.35 1vgg s VAL 141 Ca 0.00 -1.01 -0.25 0.00 0.00 0.00 0.00 61.98 60.73 1vgg s VAL 141 Cb 0.00 -1.82 -0.08 0.00 0.00 0.00 0.00 36.38 34.48 1vgg s VAL 141 CO 0.00 0.57 1.40 -1.83 0.00 0.00 0.00 175.10 175.24 1vgg s GLU 142 N -0.29 3.61 0.43 2.72 -1.05 -1.26 -5.03 118.70 117.83 1vgg s GLU 142 Ca 0.00 2.35 0.07 0.00 -0.15 0.00 0.00 54.97 57.25 1vgg s GLU 142 Cb -0.13 -2.59 0.07 0.00 -0.44 0.00 0.00 34.13 31.04 1vgg s GLU 142 CO 0.02 -0.85 0.57 -0.40 0.95 0.00 0.00 175.26 175.56 1vgg n ASP 143 N -0.32 1.65 0.19 0.83 5.68 -1.26 -4.94 116.55 118.39 1vgg n ASP 143 Ca 0.06 -2.18 0.04 0.00 -0.50 0.00 0.00 54.79 52.21 1vgg n ASP 143 Cb 0.43 -0.29 0.45 0.00 -1.14 0.00 0.00 41.12 40.56 1vgg n ASP 143 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1vgg h GLU 144 N 0.00 0.05 -0.70 0.11 4.57 -1.99 -1.88 114.58 114.74 1vgg h GLU 144 Ca -0.21 -0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 57.90 1vgg h GLU 144 Cb 0.94 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.49 1vgg h GLU 144 CO 0.30 0.27 0.20 0.00 -1.18 0.00 0.00 179.01 178.59 1vgg h ALA 145 N 1.74 1.03 -0.00 2.92 0.00 -1.99 -0.27 119.26 122.69 1vgg h ALA 145 Ca 0.01 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 1vgg h ALA 145 Cb 0.41 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1vgg h ALA 145 CO 0.03 0.64 -0.50 0.93 0.00 0.00 0.00 179.25 180.35 1vgg h GLU 146 N 1.04 0.01 -0.25 0.00 4.39 -1.77 -0.59 114.58 117.41 1vgg h GLU 146 Ca 0.22 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.86 1vgg h GLU 146 Cb 0.32 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 1vgg h GLU 146 CO -0.00 0.51 -0.05 0.28 -1.16 0.00 0.00 179.01 178.58 1vgg h VAL 147 N 0.01 1.28 -0.70 3.13 2.07 -0.64 -1.39 116.25 120.00 1vgg h VAL 147 Ca -0.00 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.46 1vgg h VAL 147 Cb 0.89 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 32.08 1vgg h VAL 147 CO 0.07 0.32 0.38 0.00 0.02 0.00 0.00 177.57 178.36 1vgg h ALA 148 N 0.77 1.34 0.11 1.67 0.00 -0.74 -1.56 119.26 120.86 1vgg h ALA 148 Ca 0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1vgg h ALA 148 Cb 0.51 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1vgg h ALA 148 CO 0.02 0.53 -0.05 2.35 0.00 0.00 0.00 179.25 182.10 1vgg h TRP 149 N 0.98 -0.14 0.00 0.00 7.01 -0.81 -0.43 115.95 122.55 1vgg h TRP 149 Ca 0.25 -0.00 -0.05 0.00 2.11 0.00 0.00 58.89 61.19 1vgg h TRP 149 Cb 0.03 0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 27.13 1vgg h TRP 149 CO 0.01 0.04 -0.25 0.07 -2.79 0.00 0.00 178.44 175.51 1vgg h ARG 150 N -0.29 0.00 -0.13 2.65 0.11 -1.02 -0.63 114.38 115.07 1vgg h ARG 150 Ca -0.02 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 59.99 1vgg h ARG 150 Cb 0.24 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.32 1vgg h ARG 150 CO 0.03 0.25 -0.22 0.87 0.10 0.00 0.00 179.97 181.00 1vgg h LYS 151 N 0.00 0.38 -0.73 0.08 1.57 -1.12 -2.88 116.57 113.87 1vgg h LYS 151 Ca -0.00 -0.24 0.02 0.00 -1.87 0.00 0.00 60.65 58.57 1vgg h LYS 151 Cb 0.49 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.78 1vgg h LYS 151 CO 0.03 0.82 0.47 0.22 -0.57 0.00 0.00 179.45 180.42 1vgg h ASP 152 N -0.02 0.78 -0.42 0.86 3.58 -0.70 -2.57 116.42 117.94 1vgg h ASP 152 Ca 0.01 -0.01 0.07 0.00 0.42 0.00 0.00 57.03 57.52 1vgg h ASP 152 Cb 0.79 -0.18 -0.06 0.00 1.72 0.00 0.00 39.33 41.61 1vgg h ASP 152 CO 0.05 0.55 0.06 0.25 -2.88 0.00 0.00 179.24 177.27 1vgg h LEU 153 N 0.92 -0.04 -1.26 2.28 5.85 -1.10 0.73 115.31 122.69 1vgg h LEU 153 Ca 0.29 0.08 -0.07 0.00 0.84 0.00 0.00 57.88 59.02 1vgg h LEU 153 Cb -0.02 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1vgg h LEU 153 CO -0.10 0.01 -0.25 -0.07 -0.34 0.00 0.00 178.44 177.70 1vgg h LEU 154 N 0.18 0.19 -0.38 2.25 3.38 -1.25 -0.41 115.31 119.27 1vgg h LEU 154 Ca 0.21 -0.05 -0.19 0.00 0.09 0.00 0.00 57.88 57.94 1vgg h LEU 154 Cb 0.27 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1vgg h LEU 154 CO -0.29 0.44 -0.68 0.03 0.09 0.00 0.00 178.44 178.04 1vgg h ARG 155 N 0.18 0.55 -0.22 1.13 -0.00 -0.93 0.30 114.38 115.38 1vgg h ARG 155 Ca 0.03 -0.41 -0.11 0.00 -0.50 0.00 0.00 59.98 58.98 1vgg h ARG 155 Cb 0.54 0.07 -0.01 0.00 0.00 0.00 0.00 29.97 30.57 1vgg h ARG 155 CO 0.04 1.03 -0.34 0.00 0.00 0.00 0.00 179.97 180.70 1vgg h ARG 156 N 0.39 0.47 0.00 0.04 3.08 -0.41 -2.55 114.38 115.39 1vgg h ARG 156 Ca -0.02 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.82 1vgg h ARG 156 Cb 1.26 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.29 1vgg h ARG 156 CO 0.13 0.75 0.00 -0.07 -1.07 0.00 0.00 179.97 179.71 1vgg h LEU 157 N 0.40 0.00 0.00 3.04 3.38 -1.00 -3.47 115.31 117.65 1vgg h LEU 157 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1vgg h LEU 157 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1vgg h LEU 157 CO 0.06 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.20 1vgg n GLY 158 N 1.02 0.67 0.14 0.83 0.00 -0.76 -4.96 105.19 102.15 1vgg n GLY 158 Ca 0.05 -0.23 0.07 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.85 1.61 -1.99 -1.22 -3.46 116.97 108.06 1vgg h TYR 159 Ca 0.00 0.00 -0.32 0.00 2.00 0.00 0.00 58.73 60.41 1vgg h TYR 159 Cb 0.00 0.00 -0.19 0.00 2.00 0.00 0.00 36.73 38.54 1vgg h TYR 159 CO 0.00 0.22 -0.74 0.15 -0.00 0.00 0.00 178.16 177.79 1vgg s LYS 160 N -3.15 0.74 0.00 4.88 -0.14 -1.07 -5.00 119.74 116.00 1vgg s LYS 160 Ca 0.02 -1.00 0.15 0.00 -1.36 0.00 0.00 55.97 53.78 1vgg s LYS 160 Cb 0.08 -0.50 0.12 0.00 -1.68 0.00 0.00 37.83 35.84 1vgg s LYS 160 CO 0.75 0.09 0.98 1.28 -0.76 0.00 0.00 175.35 177.69