#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 3.72 0.17 4.31 1.02 -1.26 -0.04 118.68 126.60 1vgg s LEU 3 Ca 0.00 0.08 0.07 0.00 0.02 0.00 0.00 54.13 54.30 1vgg s LEU 3 Cb 0.00 -1.92 -0.04 0.00 0.02 0.00 0.00 46.19 44.25 1vgg s LEU 3 CO 0.00 0.22 -0.15 -0.54 0.02 0.00 0.00 176.35 175.91 1vgg s LYS 4 N 0.07 1.21 -0.22 1.70 -0.14 0.18 -4.98 119.74 117.55 1vgg s LYS 4 Ca 0.04 -1.45 0.02 0.00 -1.36 0.00 0.00 55.97 53.22 1vgg s LYS 4 Cb -0.12 -1.06 0.04 0.00 -1.68 0.00 0.00 37.83 35.00 1vgg s LYS 4 CO 0.01 0.19 -0.15 -1.17 -0.76 0.00 0.00 175.35 173.47 1vgg s LEU 5 N -2.94 2.84 -0.30 3.17 2.96 -1.26 -1.06 118.68 122.09 1vgg s LEU 5 Ca 0.17 -1.03 -0.04 0.00 -0.22 0.00 0.00 54.13 53.01 1vgg s LEU 5 Cb -0.03 -1.53 0.04 0.00 0.50 0.00 0.00 46.19 45.17 1vgg s LEU 5 CO 0.05 -0.10 0.02 -0.63 -1.32 0.00 0.00 176.35 174.37 1vgg s ILE 6 N 1.20 3.30 0.28 6.68 -1.09 0.37 -4.91 121.20 127.04 1vgg s ILE 6 Ca -0.02 -1.13 -0.29 0.00 -2.23 0.00 0.00 60.65 56.98 1vgg s ILE 6 Cb -0.17 -2.81 -0.10 0.00 -1.58 0.00 0.00 42.46 37.81 1vgg s ILE 6 CO -0.09 -0.02 1.16 -2.84 -1.23 0.00 0.00 174.94 171.92 1vgg s PRO 7 N 1.34 4.56 -0.15 2.79 0.02 -1.26 0.07 135.00 142.37 1vgg s PRO 7 Ca -0.02 1.91 -0.19 0.00 0.02 0.00 0.00 61.00 62.72 1vgg s PRO 7 Cb -0.19 -3.17 -0.04 0.00 0.02 0.00 0.00 34.50 31.13 1vgg s PRO 7 CO -0.00 0.10 0.51 0.42 -0.33 0.00 0.00 177.00 177.69 1vgg s ILE 8 N -1.07 5.14 -0.14 2.83 -1.09 0.42 -4.92 121.20 122.37 1vgg s ILE 8 Ca 0.46 0.98 -0.22 0.00 -2.23 0.00 0.00 60.65 59.64 1vgg s ILE 8 Cb -0.34 -3.84 -0.03 0.00 -1.58 0.00 0.00 42.46 36.67 1vgg s ILE 8 CO 0.44 0.26 0.69 -1.61 -1.23 0.00 0.00 174.94 173.48 1vgg s GLU 9 N 1.08 4.31 -0.27 2.79 2.02 -1.26 -4.61 118.70 122.75 1vgg s GLU 9 Ca 0.26 0.78 -0.27 0.00 0.02 0.00 0.00 54.97 55.76 1vgg s GLU 9 Cb -0.15 -3.53 0.16 0.00 0.10 0.00 0.00 34.13 30.71 1vgg s GLU 9 CO 0.10 -0.14 1.26 -1.59 0.02 0.00 0.00 175.26 174.91 1vgg s LYS 10 N 1.53 0.25 0.35 1.61 -2.85 -1.26 -4.94 119.74 114.44 1vgg s LYS 10 Ca 0.33 0.21 -0.29 0.00 -1.00 0.00 0.00 55.97 55.23 1vgg s LYS 10 Cb -0.17 0.12 -0.11 0.00 -2.06 0.00 0.00 37.83 35.61 1vgg s LYS 10 CO 0.13 -0.05 1.49 -2.30 0.10 0.00 0.00 175.35 174.73 1vgg n PRO 11 N 1.43 2.62 -0.10 1.78 -0.02 -1.26 -4.86 135.00 134.59 1vgg n PRO 11 Ca -0.09 0.92 0.26 0.00 -2.02 0.00 0.00 63.50 62.57 1vgg n PRO 11 Cb 0.57 -2.65 0.72 0.00 -0.02 0.00 0.00 33.50 32.12 1vgg n PRO 11 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1vgg h GLU 12 N 3.34 0.00 -0.04 -0.52 3.07 -2.00 -0.62 114.58 117.83 1vgg h GLU 12 Ca -0.49 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.37 1vgg h GLU 12 Cb 1.24 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.15 1vgg h GLU 12 CO 0.67 0.00 0.00 0.27 -1.40 0.00 0.00 179.01 178.55 1vgg n ASN 13 N -4.03 1.66 -4.89 1.42 6.94 -1.26 -4.78 115.26 110.32 1vgg n ASN 13 Ca 0.15 -1.57 -0.33 0.00 -0.02 0.00 0.00 54.58 52.82 1vgg n ASN 13 Cb 0.90 -0.01 -0.05 0.00 -2.36 0.00 0.00 39.78 38.25 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 -1.95 4.30 -0.04 -4.53 1.43 -0.24 -4.74 118.68 112.91 1vgg s LEU 14 Ca 0.37 0.31 -0.03 0.00 -1.03 0.00 0.00 54.13 53.74 1vgg s LEU 14 Cb 0.21 -2.61 -0.04 0.00 0.03 0.00 0.00 46.19 43.78 1vgg s LEU 14 CO 0.32 0.25 0.15 0.20 0.23 0.00 0.00 176.35 177.50 1vgg s ASN 15 N -1.98 6.20 0.07 2.29 0.01 -1.24 -4.42 114.94 115.86 1vgg s ASN 15 Ca 0.28 0.33 0.07 0.00 -0.71 0.00 0.00 52.86 52.83 1vgg s ASN 15 Cb -0.13 -1.93 -0.03 0.00 0.41 0.00 0.00 41.25 39.58 1vgg s ASN 15 CO 0.19 0.31 -0.18 0.68 -1.51 0.00 0.00 177.10 176.58 1vgg s VAL 16 N -1.21 1.49 -0.17 1.60 -7.23 -0.30 -0.63 120.40 113.95 1vgg s VAL 16 Ca 0.23 -1.30 0.00 0.00 -1.81 0.00 0.00 61.98 59.10 1vgg s VAL 16 Cb -0.12 -1.34 0.03 0.00 0.56 0.00 0.00 36.38 35.51 1vgg s VAL 16 CO 0.13 0.00 -0.11 -0.63 -0.31 0.00 0.00 175.10 174.19 1vgg s ILE 17 N -1.01 1.52 -0.15 -0.62 1.01 -0.12 -1.48 121.20 120.35 1vgg s ILE 17 Ca 0.04 -0.79 -0.01 0.00 0.00 0.00 0.00 60.65 59.90 1vgg s ILE 17 Cb -0.09 -1.54 -0.02 0.00 0.01 0.00 0.00 42.46 40.82 1vgg s ILE 17 CO 0.03 0.28 -0.10 -0.22 0.00 0.00 0.00 174.94 174.93 1vgg s LEU 18 N 1.47 2.82 0.00 2.97 2.96 0.03 -0.59 118.68 128.35 1vgg s LEU 18 Ca 0.02 -0.31 -0.00 0.00 -0.22 0.00 0.00 54.13 53.61 1vgg s LEU 18 Cb -0.15 -1.66 0.00 0.00 0.50 0.00 0.00 46.19 44.89 1vgg s LEU 18 CO -0.09 0.14 0.05 0.61 -1.32 0.00 0.00 176.35 175.73 1vgg n GLY 19 N 3.73 2.75 3.28 7.98 0.00 -0.39 0.61 105.19 123.15 1vgg n GLY 19 Ca -0.18 -1.30 -0.31 0.00 0.00 0.00 0.00 46.02 44.23 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 -2.05 2.41 0.00 1.61 2.00 0.25 -0.63 119.66 123.25 1vgg s GLN 20 Ca 0.02 -0.91 0.00 0.00 -2.00 0.00 0.00 55.36 52.47 1vgg s GLN 20 Cb -0.00 -2.12 0.00 0.00 0.80 0.00 0.00 33.01 31.68 1vgg s GLN 20 CO 0.01 0.44 0.00 0.00 -0.50 0.00 0.00 175.29 175.25 1vgg n ALA 21 N 2.78 0.00 -3.59 1.58 0.00 0.26 -0.73 120.51 120.81 1vgg n ALA 21 Ca -0.17 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.21 1vgg n ALA 21 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.93 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 -0.66 -0.19 0.13 0.00 -3.43 -1.03 -4.80 115.29 105.31 1vgg s HIS 22 Ca 0.00 0.23 0.00 0.00 -0.80 0.00 0.00 55.06 54.49 1vgg s HIS 22 Cb 0.00 0.49 0.00 0.00 -1.43 0.00 0.00 32.58 31.64 1vgg s HIS 22 CO 0.00 -0.23 0.00 0.34 -2.00 0.00 0.00 174.74 172.85 1vgg n PHE 23 N 0.27 -1.43 0.06 0.38 -0.00 -1.26 -4.46 117.46 111.02 1vgg n PHE 23 Ca -0.03 0.75 0.21 0.00 -0.00 0.00 0.00 57.45 58.37 1vgg n PHE 23 Cb 0.59 -2.07 0.74 0.00 -0.00 0.00 0.00 39.48 38.73 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 0.82 0.44 0.00 -2.13 6.09 -2.01 -0.92 117.51 119.79 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 0.66 0.00 0.00 0.47 0.00 0.00 36.82 37.95 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 -3.85 0.06 -0.29 2.19 4.81 -1.26 -2.76 118.16 117.06 1vgg n LYS 25 Ca 0.08 0.47 0.07 0.00 -0.87 0.00 0.00 58.31 58.06 1vgg n LYS 25 Cb 0.63 -1.66 0.23 0.00 0.02 0.00 0.00 35.03 34.24 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 0.68 0.75 3.15 2.02 -1.38 -1.22 112.91 116.92 1vgg h THR 26 Ca 0.00 -0.19 -0.04 0.00 0.77 0.00 0.00 66.41 66.95 1vgg h THR 26 Cb 0.10 0.08 0.01 0.00 -1.74 0.00 0.00 68.15 66.60 1vgg h THR 26 CO 0.00 0.10 -0.36 0.58 0.37 0.00 0.00 175.52 176.21 1vgg h VAL 27 N 0.55 0.22 -0.65 3.16 2.07 -1.78 -1.36 116.25 118.47 1vgg h VAL 27 Ca 0.46 -0.09 -0.07 0.00 0.82 0.00 0.00 66.70 67.82 1vgg h VAL 27 Cb 0.70 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 1vgg h VAL 27 CO -0.39 0.01 0.12 -0.33 0.02 0.00 0.00 177.57 177.00 1vgg h GLU 28 N -1.08 1.06 -0.53 1.57 5.08 -1.76 -2.00 114.58 116.92 1vgg h GLU 28 Ca -0.10 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 57.97 1vgg h GLU 28 Cb 0.79 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 1vgg h GLU 28 CO 0.17 0.97 0.29 -0.44 -1.00 0.00 0.00 179.01 179.01 1vgg h ASP 29 N 0.98 0.65 -0.44 1.42 5.19 -1.22 -0.64 116.42 122.36 1vgg h ASP 29 Ca 0.20 -0.08 -0.14 0.00 -0.62 0.00 0.00 57.03 56.39 1vgg h ASP 29 Cb 0.41 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.75 1vgg h ASP 29 CO 0.01 0.55 -0.25 -0.07 -3.12 0.00 0.00 179.24 176.35 1vgg h LEU 30 N 0.70 0.99 -0.40 1.55 3.38 -1.19 0.02 115.31 120.36 1vgg h LEU 30 Ca 0.19 -0.41 0.01 0.00 0.09 0.00 0.00 57.88 57.75 1vgg h LEU 30 Cb 0.03 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1vgg h LEU 30 CO -0.03 1.19 0.26 -0.74 0.09 0.00 0.00 178.44 179.21 1vgg h HIS 31 N 0.80 0.49 -0.70 1.13 2.76 -1.18 -0.61 115.15 117.84 1vgg h HIS 31 Ca 0.09 0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.20 1vgg h HIS 31 Cb 0.83 -0.17 -0.03 0.00 1.55 0.00 0.00 27.41 29.60 1vgg h HIS 31 CO 0.06 0.31 0.15 0.93 -1.30 0.00 0.00 177.93 178.07 1vgg h GLU 32 N 0.53 1.14 -0.81 5.26 5.08 -0.98 -2.16 114.58 122.65 1vgg h GLU 32 Ca 0.15 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.20 1vgg h GLU 32 Cb -0.05 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.02 1vgg h GLU 32 CO -0.04 1.02 0.40 0.00 -1.00 0.00 0.00 179.01 179.39 1vgg h ALA 33 N 1.07 1.18 -0.11 3.43 0.00 -0.55 -1.33 119.26 122.95 1vgg h ALA 33 Ca 0.22 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1vgg h ALA 33 Cb 0.40 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1vgg h ALA 33 CO 0.01 0.63 -0.07 -0.07 0.00 0.00 0.00 179.25 179.75 1vgg h LEU 34 N 1.14 0.25 -1.23 0.00 3.38 -0.85 -1.87 115.31 116.14 1vgg h LEU 34 Ca 0.28 -0.43 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 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 0.63 -0.00 -0.37 0.09 0.00 0.00 178.44 178.75 1vgg h VAL 35 N -0.12 0.01 0.00 1.22 -1.51 -1.30 -2.42 116.25 112.14 1vgg h VAL 35 Ca 0.02 -0.60 -0.22 0.00 -1.23 0.00 0.00 66.70 64.68 1vgg h VAL 35 Cb 0.54 1.59 -0.03 0.00 -2.13 0.00 0.00 31.29 31.26 1vgg h VAL 35 CO 0.02 0.00 -1.11 0.74 -1.23 0.00 0.00 177.57 175.99 1vgg h THR 36 N 0.00 1.48 0.08 7.19 2.02 -1.19 -3.35 112.91 119.13 1vgg h THR 36 Ca -0.00 -3.19 -0.26 0.00 0.77 0.00 0.00 66.41 63.72 1vgg h THR 36 Cb 0.59 2.73 0.01 0.00 -1.74 0.00 0.00 68.15 69.74 1vgg h THR 36 CO 0.00 0.85 -1.12 0.00 0.37 0.00 0.00 175.52 175.61 1vgg h ALA 37 N 1.04 0.17 -3.34 6.16 0.00 -0.90 -3.45 119.26 118.94 1vgg h ALA 37 Ca -0.06 -0.78 -0.40 0.00 0.00 0.00 0.00 54.91 53.67 1vgg h ALA 37 Cb 1.79 0.03 -0.37 0.00 0.00 0.00 0.00 17.79 19.24 1vgg h ALA 37 CO 0.12 0.82 -0.76 0.08 0.00 0.00 0.00 179.25 179.51 1vgg s VAL 38 N -3.01 0.25 0.19 0.00 1.01 -0.95 -5.00 120.40 112.89 1vgg s VAL 38 Ca -0.06 0.15 -0.30 0.00 0.00 0.00 0.00 61.98 61.76 1vgg s VAL 38 Cb 0.07 -0.40 -0.09 0.00 0.00 0.00 0.00 36.38 35.96 1vgg s VAL 38 CO 0.89 0.21 1.36 -2.16 0.00 0.00 0.00 175.10 175.41 1vgg s PRO 39 N 1.69 4.34 -0.82 2.72 0.04 -1.26 -2.72 135.00 138.99 1vgg s PRO 39 Ca -0.00 2.12 0.00 0.00 0.04 0.00 0.00 61.00 63.16 1vgg s PRO 39 Cb -0.13 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.22 1vgg s PRO 39 CO -0.03 -0.34 0.00 0.41 0.04 0.00 0.00 177.00 177.07 1vgg n GLY 40 N 2.67 0.93 3.77 0.56 0.00 -1.26 -4.96 105.19 106.89 1vgg n GLY 40 Ca 0.08 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.13 2.17 -0.16 -0.61 2.07 -1.10 -5.00 121.20 116.44 1vgg s ILE 41 Ca 0.00 0.16 -0.03 0.00 -1.41 0.00 0.00 60.65 59.37 1vgg s ILE 41 Cb 0.00 -3.10 -0.02 0.00 0.13 0.00 0.00 42.46 39.47 1vgg s ILE 41 CO 0.00 0.03 -0.07 -0.13 -1.91 0.00 0.00 174.94 172.87 1vgg s ARG 42 N -1.56 3.51 0.22 3.50 1.81 -1.26 -4.83 118.95 120.33 1vgg s ARG 42 Ca 0.55 -0.60 -0.23 0.00 -1.72 0.00 0.00 55.73 53.74 1vgg s ARG 42 Cb -0.46 -2.85 0.04 0.00 -0.45 0.00 0.00 34.95 31.23 1vgg s ARG 42 CO 0.57 0.13 0.83 -0.59 -0.68 0.00 0.00 175.30 175.56 1vgg s PHE 43 N 0.63 -0.16 -0.02 -0.53 -0.71 -1.26 -0.40 117.98 115.53 1vgg s PHE 43 Ca -0.04 -0.22 0.03 0.00 -1.04 0.00 0.00 56.93 55.66 1vgg s PHE 43 Cb -0.15 0.68 -0.00 0.00 -1.21 0.00 0.00 43.02 42.33 1vgg s PHE 43 CO 0.03 -1.04 -0.10 0.20 -1.34 0.00 0.00 175.22 172.97 1vgg s GLY 44 N -2.93 0.51 -0.01 1.99 0.00 -0.30 -1.33 107.32 105.25 1vgg s GLY 44 Ca 0.11 -0.39 0.03 0.00 0.00 0.00 0.00 44.72 44.47 1vgg s GLY 44 CO 0.05 -0.24 -0.09 -2.27 0.00 0.00 0.00 173.10 170.55 1vgg s LEU 45 N -0.04 1.99 0.02 0.66 2.96 0.53 -0.30 118.68 124.49 1vgg s LEU 45 Ca 0.01 -0.17 0.01 0.00 -0.22 0.00 0.00 54.13 53.75 1vgg s LEU 45 Cb -0.06 -0.49 -0.02 0.00 0.50 0.00 0.00 46.19 46.13 1vgg s LEU 45 CO 0.00 0.11 -0.04 0.00 -1.32 0.00 0.00 176.35 175.10 1vgg s ALA 46 N -0.16 0.24 -0.02 5.97 0.00 -0.59 -1.31 121.76 125.89 1vgg s ALA 46 Ca 0.03 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.44 1vgg s ALA 46 Cb -0.04 0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.19 1vgg s ALA 46 CO -0.00 -0.09 0.01 0.12 0.00 0.00 0.00 175.76 175.80 1vgg s PHE 47 N -1.19 0.13 -0.65 0.00 2.19 0.88 -1.26 117.98 118.07 1vgg s PHE 47 Ca -0.12 0.05 -0.19 0.00 0.33 0.00 0.00 56.93 57.00 1vgg s PHE 47 Cb -0.08 -0.23 0.11 0.00 -1.31 0.00 0.00 43.02 41.50 1vgg s PHE 47 CO -0.00 -0.07 0.80 0.45 1.83 0.00 0.00 175.22 178.22 1vgg s SER 48 N 0.73 6.26 0.21 6.13 0.15 -0.35 0.23 113.70 127.06 1vgg s SER 48 Ca -0.07 -1.49 -0.32 0.00 0.70 0.00 0.00 55.95 54.78 1vgg s SER 48 Cb -0.09 -2.33 -0.12 0.00 -1.71 0.00 0.00 66.02 61.77 1vgg s SER 48 CO -0.02 -1.14 1.70 -0.70 1.20 0.00 0.00 173.24 174.28 1vgg s GLU 49 N 2.79 4.13 0.00 5.44 2.12 -1.07 -0.53 118.70 131.58 1vgg s GLU 49 Ca 0.16 2.58 0.18 0.00 0.36 0.00 0.00 54.97 58.25 1vgg s GLU 49 Cb -0.20 -3.08 0.36 0.00 0.26 0.00 0.00 34.13 31.47 1vgg s GLU 49 CO 0.04 -0.73 1.28 0.00 -0.54 0.00 0.00 175.26 175.32 1vgg n ALA 50 N 3.82 2.37 -3.77 6.30 0.00 -1.26 -4.00 120.51 123.96 1vgg n ALA 50 Ca 0.15 -0.99 -0.11 0.00 0.00 0.00 0.00 53.44 52.49 1vgg n ALA 50 Cb 0.36 -0.68 -0.03 0.00 0.00 0.00 0.00 19.45 19.10 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 1.12 -0.91 0.00 0.00 3.41 -1.26 -4.92 113.62 111.06 1vgg n SER 51 Ca 0.16 -2.40 0.00 0.00 -0.26 0.00 0.00 58.87 56.37 1vgg n SER 51 Cb 0.51 1.74 0.00 0.00 -0.26 0.00 0.00 64.21 66.20 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 -0.42 3.55 0.13 5.00 0.00 -1.26 -0.63 105.19 111.56 1vgg n GLY 52 Ca 0.01 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.07 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 14.00 0.18 -3.81 1.61 4.76 -1.26 -4.89 118.16 128.74 1vgg n LYS 53 Ca 0.00 0.46 -0.23 0.00 -2.87 0.00 0.00 58.31 55.67 1vgg n LYS 53 Cb 0.00 -1.88 0.01 0.00 -1.84 0.00 0.00 35.03 31.32 1vgg n LYS 53 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1vgg n ARG 54 N -2.22 -4.19 -4.23 1.97 1.74 0.19 -4.96 116.66 104.96 1vgg n ARG 54 Ca 0.01 0.52 -0.35 0.00 -0.77 0.00 0.00 57.85 57.27 1vgg n ARG 54 Cb 0.19 -4.89 -0.08 0.00 -1.02 0.00 0.00 32.46 26.66 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 -6.81 3.76 0.07 0.55 1.43 -1.26 -4.80 118.68 111.62 1vgg s LEU 55 Ca 0.01 0.17 -0.31 0.00 -1.03 0.00 0.00 54.13 52.97 1vgg s LEU 55 Cb -0.00 -1.98 -0.06 0.00 0.03 0.00 0.00 46.19 44.18 1vgg s LEU 55 CO 0.85 0.35 1.32 -0.69 0.23 0.00 0.00 176.35 178.40 1vgg s VAL 56 N -1.00 3.68 0.03 -1.59 1.01 -1.26 -2.61 120.40 118.66 1vgg s VAL 56 Ca 0.16 1.18 0.01 0.00 0.00 0.00 0.00 61.98 63.33 1vgg s VAL 56 Cb -0.12 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 1vgg s VAL 56 CO 0.06 0.07 0.06 -0.13 0.00 0.00 0.00 175.10 175.16 1vgg s ARG 57 N 1.39 2.93 0.06 2.72 1.81 0.14 -4.92 118.95 123.07 1vgg s ARG 57 Ca 0.62 -0.59 -0.09 0.00 -1.72 0.00 0.00 55.73 53.94 1vgg s ARG 57 Cb -0.33 -2.77 0.00 0.00 -0.45 0.00 0.00 34.95 31.41 1vgg s ARG 57 CO 0.29 0.61 0.20 -0.98 -0.68 0.00 0.00 175.30 174.74 1vgg s ARG 58 N -1.96 0.77 0.04 3.54 3.03 -1.26 -0.09 118.95 123.02 1vgg s ARG 58 Ca 0.25 -0.78 -0.27 0.00 2.03 0.00 0.00 55.73 56.96 1vgg s ARG 58 Cb -0.12 0.32 0.08 0.00 -1.03 0.00 0.00 34.95 34.19 1vgg s ARG 58 CO 0.16 -0.23 0.69 0.45 -1.13 0.00 0.00 175.30 175.24 1vgg s SER 59 N -2.45 -0.56 0.00 -2.89 0.15 -0.43 -5.00 113.70 102.52 1vgg s SER 59 Ca -0.00 0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.94 1vgg s SER 59 Cb 0.02 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 1vgg s SER 59 CO -0.07 -0.75 0.00 0.61 1.20 0.00 0.00 173.24 174.23 1vgg n GLY 60 N 0.19 -0.81 0.34 9.45 0.00 -1.26 -0.35 105.19 112.75 1vgg n GLY 60 Ca -0.16 -1.05 0.04 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.22 0.03 -3.55 2.61 -2.24 -0.44 -4.90 114.28 105.57 1vgg n THR 61 Ca 0.00 -0.52 -0.19 0.00 -2.27 0.00 0.00 64.05 61.07 1vgg n THR 61 Cb 0.00 1.15 -0.14 0.00 -2.10 0.00 0.00 70.33 69.24 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 -0.71 1.45 0.30 3.42 -1.08 -1.14 -4.80 116.67 114.11 1vgg s ASP 62 Ca 0.10 -0.20 0.04 0.00 -0.52 0.00 0.00 52.55 51.97 1vgg s ASP 62 Cb 0.07 0.25 0.64 0.00 -1.46 0.00 0.00 42.92 42.42 1vgg s ASP 62 CO 0.11 -0.32 1.83 -0.08 0.52 0.00 0.00 175.17 177.23 1vgg h GLU 63 N 8.34 0.87 -0.47 4.34 4.57 -1.90 -0.95 114.58 129.39 1vgg h GLU 63 Ca -0.16 -0.05 -0.08 0.00 -1.18 0.00 0.00 59.36 57.89 1vgg h GLU 63 Cb 1.15 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 29.52 1vgg h GLU 63 CO 0.26 0.58 -0.02 0.00 -1.18 0.00 0.00 179.01 178.65 1vgg h ALA 64 N 1.57 1.08 -0.05 2.92 0.00 -1.96 -1.44 119.26 121.38 1vgg h ALA 64 Ca 0.50 -0.28 -0.17 0.00 0.00 0.00 0.00 54.91 54.97 1vgg h ALA 64 Cb 0.60 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1vgg h ALA 64 CO -0.27 0.58 -0.72 -0.07 0.00 0.00 0.00 179.25 178.77 1vgg h LEU 65 N 0.74 0.31 -0.28 0.00 3.38 -1.62 -2.44 115.31 115.41 1vgg h LEU 65 Ca 0.14 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 1vgg h LEU 65 Cb 0.48 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1vgg h LEU 65 CO 0.02 0.92 -0.03 0.58 0.09 0.00 0.00 178.44 180.02 1vgg h VAL 66 N 0.17 1.27 -0.97 1.22 2.07 -0.95 -1.96 116.25 117.10 1vgg h VAL 66 Ca -0.02 -1.01 0.03 0.00 0.82 0.00 0.00 66.70 66.52 1vgg h VAL 66 Cb 1.27 1.38 -0.06 0.00 -1.52 0.00 0.00 31.29 32.37 1vgg h VAL 66 CO 0.11 0.32 0.64 -0.08 0.02 0.00 0.00 177.57 178.58 1vgg h GLU 67 N 0.28 1.19 -0.48 1.57 4.57 -1.21 -1.27 114.58 119.24 1vgg h GLU 67 Ca 0.07 -0.07 -0.10 0.00 -1.18 0.00 0.00 59.36 58.09 1vgg h GLU 67 Cb 0.49 -0.27 -0.02 0.00 -0.16 0.00 0.00 28.75 28.79 1vgg h GLU 67 CO 0.02 0.79 -0.09 1.25 -1.18 0.00 0.00 179.01 179.80 1vgg h LEU 68 N 1.23 0.85 -0.41 1.64 5.85 -1.22 -0.55 115.31 122.69 1vgg h LEU 68 Ca 0.38 -0.25 -0.11 0.00 0.84 0.00 0.00 57.88 58.74 1vgg h LEU 68 Cb -0.00 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 1vgg h LEU 68 CO -0.12 0.96 -0.16 0.00 -0.34 0.00 0.00 178.44 178.79 1vgg h ALA 69 N 1.12 0.58 -0.38 1.25 0.00 -0.69 -2.59 119.26 118.54 1vgg h ALA 69 Ca 0.13 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 1vgg h ALA 69 Cb 0.59 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1vgg h ALA 69 CO 0.04 0.51 -0.02 0.28 0.00 0.00 0.00 179.25 180.05 1vgg h VAL 70 N 0.66 1.26 -0.62 0.00 2.07 -1.07 -2.23 116.25 116.32 1vgg h VAL 70 Ca 0.10 -1.04 0.01 0.00 0.82 0.00 0.00 66.70 66.59 1vgg h VAL 70 Cb 0.71 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 1vgg h VAL 70 CO 0.05 0.35 0.40 0.11 0.02 0.00 0.00 177.57 178.50 1vgg h LYS 71 N 0.49 0.79 -0.51 1.57 1.79 -1.07 -1.11 116.57 118.52 1vgg h LYS 71 Ca 0.10 -0.05 -0.08 0.00 -2.18 0.00 0.00 60.65 58.45 1vgg h LYS 71 Cb 0.50 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 30.95 1vgg h LYS 71 CO 0.02 0.52 -0.00 -0.91 -1.08 0.00 0.00 179.45 178.00 1vgg h ASN 72 N 0.82 0.82 0.36 0.86 2.35 -1.41 -2.60 115.58 116.78 1vgg h ASN 72 Ca 0.23 -0.21 -0.10 0.00 -0.55 0.00 0.00 56.30 55.67 1vgg h ASN 72 Cb -0.07 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.07 1vgg h ASN 72 CO -0.06 0.89 -0.44 -0.07 -1.65 0.00 0.00 177.43 176.09 1vgg h LEU 73 N 0.79 0.11 -0.79 1.61 3.38 -0.92 -0.60 115.31 118.90 1vgg h LEU 73 Ca 0.15 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 1vgg h LEU 73 Cb 0.48 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1vgg h LEU 73 CO 0.02 0.55 -0.17 -0.07 0.09 0.00 0.00 178.44 178.86 1vgg h LEU 74 N 0.09 0.73 -0.23 1.67 3.38 -0.93 0.31 115.31 120.33 1vgg h LEU 74 Ca 0.01 -0.24 -0.21 0.00 0.09 0.00 0.00 57.88 57.53 1vgg h LEU 74 Cb 0.82 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 41.38 1vgg h LEU 74 CO 0.06 0.90 -0.69 0.78 0.09 0.00 0.00 178.44 179.59 1vgg h ASN 75 N 0.65 0.94 -0.43 -0.43 2.35 -1.10 -3.22 115.58 114.35 1vgg h ASN 75 Ca 0.10 -0.57 -0.07 0.00 -0.55 0.00 0.00 56.30 55.21 1vgg h ASN 75 Cb 0.65 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 1vgg h ASN 75 CO 0.05 1.37 -0.02 -0.07 -1.65 0.00 0.00 177.43 177.11 1vgg h LEU 76 N 0.58 0.75 -1.76 1.61 3.38 -0.97 -3.47 115.31 115.43 1vgg h LEU 76 Ca -0.03 -0.32 -0.48 0.00 0.09 0.00 0.00 57.88 57.15 1vgg h LEU 76 Cb 1.31 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.82 1vgg h LEU 76 CO 0.14 0.89 -0.86 0.00 0.09 0.00 0.00 178.44 178.70 1vgg n ALA 77 N -2.42 -1.92 -3.49 1.53 0.00 0.08 -4.98 120.51 109.32 1vgg n ALA 77 Ca -0.00 -0.20 -0.34 0.00 0.00 0.00 0.00 53.44 52.90 1vgg n ALA 77 Cb 0.31 -1.92 -0.15 0.00 0.00 0.00 0.00 19.45 17.69 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 4.22 1.25 2.48 0.00 0.00 -1.26 -2.77 105.19 109.11 1vgg n GLY 79 Ca -0.19 0.46 -0.03 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 2.05 0.00 -3.16 1.61 8.25 0.31 -4.95 115.22 119.33 1vgg n HIS 80 Ca 0.09 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.23 1vgg n HIS 80 Cb 0.36 -1.39 -0.06 0.00 1.12 0.00 0.00 29.99 30.03 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 -1.74 4.74 0.10 1.59 1.01 -1.11 -0.57 120.40 124.42 1vgg s VAL 81 Ca 0.00 0.81 0.05 0.00 0.00 0.00 0.00 61.98 62.84 1vgg s VAL 81 Cb 0.00 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 1vgg s VAL 81 CO 0.00 -0.21 -0.12 0.72 0.00 0.00 0.00 175.10 175.50 1vgg s PHE 82 N -2.00 1.18 -0.03 5.22 -0.12 0.20 -1.21 117.98 121.22 1vgg s PHE 82 Ca 0.52 -0.58 -0.01 0.00 -0.05 0.00 0.00 56.93 56.81 1vgg s PHE 82 Cb -0.10 -0.64 0.03 0.00 -0.63 0.00 0.00 43.02 41.68 1vgg s PHE 82 CO 0.20 0.05 0.06 -1.17 -0.05 0.00 0.00 175.22 174.31 1vgg s LEU 83 N -2.29 0.84 -0.13 -1.99 2.96 -0.39 -1.27 118.68 116.41 1vgg s LEU 83 Ca 0.05 0.11 -0.01 0.00 -0.22 0.00 0.00 54.13 54.06 1vgg s LEU 83 Cb -0.05 0.03 -0.02 0.00 0.50 0.00 0.00 46.19 46.65 1vgg s LEU 83 CO 0.01 -0.15 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.16 1vgg s ILE 84 N 1.27 3.33 -0.25 6.68 1.01 0.25 -1.54 121.20 131.95 1vgg s ILE 84 Ca -0.07 -0.57 -0.03 0.00 0.00 0.00 0.00 60.65 59.99 1vgg s ILE 84 Cb -0.13 -2.41 0.02 0.00 0.01 0.00 0.00 42.46 39.95 1vgg s ILE 84 CO -0.04 0.52 -0.04 -0.69 0.00 0.00 0.00 174.94 174.70 1vgg s VAL 85 N 0.24 3.11 -0.03 2.92 1.01 0.59 -0.94 120.40 127.30 1vgg s VAL 85 Ca -0.07 -0.89 -0.19 0.00 0.00 0.00 0.00 61.98 60.83 1vgg s VAL 85 Cb -0.15 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.62 1vgg s VAL 85 CO 0.04 0.22 0.53 -0.76 0.00 0.00 0.00 175.10 175.13 1vgg s LEU 86 N 1.38 4.40 0.96 3.92 1.43 0.20 -1.15 118.68 129.81 1vgg s LEU 86 Ca 0.01 1.04 -0.12 0.00 -1.03 0.00 0.00 54.13 54.03 1vgg s LEU 86 Cb -0.16 -2.79 0.16 0.00 0.03 0.00 0.00 46.19 43.43 1vgg s LEU 86 CO -0.03 0.13 1.09 -0.83 0.23 0.00 0.00 176.35 176.94 1vgg s GLY 87 N -0.21 1.60 0.18 -3.19 0.00 0.47 -3.62 107.32 102.54 1vgg s GLY 87 Ca 0.28 -0.14 -0.33 0.00 0.00 0.00 0.00 44.72 44.53 1vgg s GLY 87 CO 0.15 0.40 1.39 -2.21 0.00 0.00 0.00 173.10 172.83 1vgg n GLU 88 N -4.09 1.75 -0.32 2.90 2.13 -1.26 -2.04 120.64 119.70 1vgg n GLU 88 Ca 0.06 0.63 0.00 0.00 0.66 0.00 0.00 57.16 58.51 1vgg n GLU 88 Cb 0.56 -2.28 0.00 0.00 0.27 0.00 0.00 31.44 29.99 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 2.50 1.13 3.35 8.31 0.00 -1.26 -5.01 105.19 114.21 1vgg n GLY 89 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.87 2.88 0.21 1.61 0.08 -0.87 -5.12 117.98 113.92 1vgg s PHE 90 Ca 0.00 -0.75 0.10 0.00 0.12 0.00 0.00 56.93 56.40 1vgg s PHE 90 Cb 0.00 -1.95 -0.04 0.00 -0.57 0.00 0.00 43.02 40.46 1vgg s PHE 90 CO 0.00 -0.33 -0.13 0.71 -0.10 0.00 0.00 175.22 175.36 1vgg s TYR 91 N 0.78 2.51 0.43 0.36 1.51 -1.26 -4.67 117.35 117.01 1vgg s TYR 91 Ca -0.04 -0.27 0.11 0.00 -1.01 0.00 0.00 57.07 55.86 1vgg s TYR 91 Cb -0.15 -1.19 0.98 0.00 -0.11 0.00 0.00 41.96 41.49 1vgg s TYR 91 CO 0.01 0.56 2.04 -1.35 -1.11 0.00 0.00 175.55 175.70 1vgg h PRO 92 N 2.72 0.41 0.00 -1.71 0.11 -1.96 -0.77 132.00 130.81 1vgg h PRO 92 Ca -0.45 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1vgg h PRO 92 Cb 1.22 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1vgg h PRO 92 CO 0.54 0.27 -0.04 -0.84 -0.21 0.00 0.00 178.00 177.73 1vgg h ILE 93 N 0.43 0.32 -0.00 4.15 3.07 -1.99 0.31 117.51 123.79 1vgg h ILE 93 Ca 0.18 -0.24 -0.17 0.00 1.55 0.00 0.00 64.86 66.19 1vgg h ILE 93 Cb 0.20 1.17 -0.02 0.00 -0.27 0.00 0.00 36.82 37.90 1vgg h ILE 93 CO -0.04 0.04 -0.80 0.78 -1.05 0.00 0.00 178.15 177.07 1vgg h ASN 94 N 0.00 0.04 0.00 2.16 -0.26 -1.55 -3.40 115.58 112.57 1vgg h ASN 94 Ca -0.00 -0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.71 1vgg h ASN 94 Cb 0.17 -0.01 0.00 0.00 -1.06 0.00 0.00 38.32 37.42 1vgg h ASN 94 CO 0.01 0.83 0.00 1.33 -1.06 0.00 0.00 177.43 178.53 1vgg n VAL 95 N -3.61 0.00 -0.12 2.81 0.24 -0.65 -4.78 118.33 112.23 1vgg n VAL 95 Ca -0.01 -0.38 0.12 0.00 -2.04 0.00 0.00 64.34 62.03 1vgg n VAL 95 Cb 0.77 1.06 0.48 0.00 -1.47 0.00 0.00 33.84 34.68 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 0.42 -1.00 1.34 3.38 -0.63 -0.99 115.31 117.83 1vgg h LEU 96 Ca 0.00 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.04 1vgg h LEU 96 Cb 0.03 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.64 1vgg h LEU 96 CO 0.00 0.25 0.65 1.12 0.09 0.00 0.00 178.44 180.55 1vgg h HIS 97 N 0.47 1.21 -0.00 1.13 2.07 -1.86 0.17 115.15 118.34 1vgg h HIS 97 Ca 0.31 0.03 -0.16 0.00 -2.85 0.00 0.00 60.37 57.70 1vgg h HIS 97 Cb 0.59 -0.40 -0.02 0.00 2.57 0.00 0.00 27.41 30.15 1vgg h HIS 97 CO -0.00 0.65 -0.77 0.00 -3.07 0.00 0.00 177.93 174.74 1vgg h ALA 98 N 1.44 0.72 -0.05 6.11 0.00 -1.54 -1.97 119.26 123.98 1vgg h ALA 98 Ca 0.42 -0.69 -0.11 0.00 0.00 0.00 0.00 54.91 54.53 1vgg h ALA 98 Cb 0.12 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.80 1vgg h ALA 98 CO -0.16 0.94 -0.41 0.28 0.00 0.00 0.00 179.25 179.90 1vgg h VAL 99 N 0.02 1.43 -0.91 0.00 2.07 -0.88 -2.34 116.25 115.64 1vgg h VAL 99 Ca -0.01 -1.85 0.01 0.00 0.82 0.00 0.00 66.70 65.67 1vgg h VAL 99 Cb 1.36 2.42 -0.05 0.00 -1.52 0.00 0.00 31.29 33.50 1vgg h VAL 99 CO 0.10 0.54 0.60 0.11 0.02 0.00 0.00 177.57 178.94 1vgg h LYS 100 N -0.13 1.18 0.00 1.57 1.57 -0.68 -2.59 116.57 117.48 1vgg h LYS 100 Ca -0.04 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1vgg h LYS 100 Cb 1.09 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 33.13 1vgg h LYS 100 CO 0.08 0.78 -0.07 0.00 -0.57 0.00 0.00 179.45 179.68 1vgg n ALA 101 N -2.40 2.36 -1.69 3.86 0.00 -0.74 -4.85 120.51 117.05 1vgg n ALA 101 Ca 0.11 -0.05 -0.44 0.00 0.00 0.00 0.00 53.44 53.06 1vgg n ALA 101 Cb 0.03 -1.44 -0.03 0.00 0.00 0.00 0.00 19.45 18.01 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 7.58 0.00 0.00 0.00 0.11 -1.89 -1.98 132.00 135.81 1vgg h PRO 103 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1vgg h PRO 103 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1vgg h PRO 103 CO 0.94 0.00 -0.78 0.93 -0.21 0.00 0.00 178.00 178.87 1vgg h GLU 104 N 0.00 0.00 -6.39 1.05 3.07 -1.89 -3.47 114.58 106.96 1vgg h GLU 104 Ca 0.13 0.00 -0.54 0.00 -0.50 0.00 0.00 59.36 58.44 1vgg h GLU 104 Cb 0.61 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.51 1vgg h GLU 104 CO -0.00 0.00 0.60 0.08 -1.40 0.00 0.00 179.01 178.29 1vgg s VAL 105 N -3.33 4.26 -0.22 3.13 1.01 -0.75 -2.47 120.40 122.04 1vgg s VAL 105 Ca 0.01 1.61 -0.10 0.00 0.00 0.00 0.00 61.98 63.49 1vgg s VAL 105 Cb 0.09 -4.03 -0.18 0.00 0.00 0.00 0.00 36.38 32.25 1vgg s VAL 105 CO 0.76 0.07 -0.03 0.52 0.00 0.00 0.00 175.10 176.42 1vgg n VAL 106 N 4.24 1.58 -3.69 2.92 0.31 0.10 -4.89 118.33 118.90 1vgg n VAL 106 Ca 0.09 -0.40 -0.06 0.00 -0.01 0.00 0.00 64.34 63.96 1vgg n VAL 106 Cb 0.47 -1.78 -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 1.28 -0.12 5.55 1.70 -1.10 -5.01 118.95 118.77 1vgg s ARG 107 Ca -0.32 -0.65 0.02 0.00 -0.47 0.00 0.00 55.73 54.31 1vgg s ARG 107 Cb 0.09 0.47 0.01 0.00 -0.57 0.00 0.00 34.95 34.96 1vgg s ARG 107 CO 0.60 -0.58 -0.19 0.42 -1.08 0.00 0.00 175.30 174.48 1vgg s ILE 108 N -3.47 1.75 0.03 4.99 1.01 -1.26 -0.58 121.20 123.67 1vgg s ILE 108 Ca 0.09 -0.80 -0.14 0.00 0.00 0.00 0.00 60.65 59.80 1vgg s ILE 108 Cb -0.02 -1.57 -0.35 0.00 0.01 0.00 0.00 42.46 40.53 1vgg s ILE 108 CO -0.01 0.49 1.00 1.88 0.00 0.00 0.00 174.94 178.31 1vgg h TYR 109 N 7.28 0.92 -2.12 3.97 0.05 -0.16 -3.48 116.97 123.43 1vgg h TYR 109 Ca -0.30 -0.67 -0.03 0.00 0.05 0.00 0.00 58.73 57.77 1vgg h TYR 109 Cb 1.19 -0.04 -0.18 0.00 1.01 0.00 0.00 36.73 38.71 1vgg h TYR 109 CO 0.47 1.54 0.25 0.00 -1.05 0.00 0.00 178.16 179.37 1vgg s ALA 110 N -2.61 -1.76 -0.19 3.88 0.00 -0.99 -4.85 121.76 115.24 1vgg s ALA 110 Ca -0.09 1.21 -0.05 0.00 0.00 0.00 0.00 51.96 53.03 1vgg s ALA 110 Cb 0.04 0.07 0.07 0.00 0.00 0.00 0.00 23.12 23.31 1vgg s ALA 110 CO 0.94 -0.44 0.13 0.00 0.00 0.00 0.00 175.76 176.39 1vgg s ALA 111 N -1.66 0.25 0.03 0.00 0.00 -1.26 -0.79 121.76 118.33 1vgg s ALA 111 Ca -0.07 -0.21 -0.28 0.00 0.00 0.00 0.00 51.96 51.39 1vgg s ALA 111 Cb -0.00 -1.13 0.10 0.00 0.00 0.00 0.00 23.12 22.08 1vgg s ALA 111 CO 0.05 -1.21 1.00 -0.08 0.00 0.00 0.00 175.76 175.51 1vgg s THR 112 N 2.19 0.00 -0.70 0.00 -1.32 -0.55 -4.97 115.64 110.28 1vgg s THR 112 Ca 0.04 -0.25 0.08 0.00 -1.21 0.00 0.00 61.69 60.34 1vgg s THR 112 Cb -0.16 -1.46 -0.00 0.00 -1.51 0.00 0.00 72.50 69.37 1vgg s THR 112 CO -0.11 0.00 0.55 0.00 -2.21 0.00 0.00 174.62 172.85 1vgg n ALA 113 N -0.33 2.69 -1.62 11.08 0.00 -1.26 -1.15 120.51 129.91 1vgg n ALA 113 Ca -0.07 -0.40 -0.30 0.00 0.00 0.00 0.00 53.44 52.67 1vgg n ALA 113 Cb 0.61 -0.27 0.08 0.00 0.00 0.00 0.00 19.45 19.87 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 -1.13 4.72 0.20 0.00 0.01 -1.26 -4.76 114.94 112.72 1vgg s ASN 114 Ca 0.06 1.28 -0.32 0.00 -0.71 0.00 0.00 52.86 53.18 1vgg s ASN 114 Cb 0.06 -2.04 -0.12 0.00 0.41 0.00 0.00 41.25 39.56 1vgg s ASN 114 CO 0.19 -1.82 1.73 -2.65 -1.51 0.00 0.00 177.10 173.03 1vgg n PRO 115 N -3.33 2.75 -4.96 -0.60 -0.02 -1.26 -4.69 135.00 122.89 1vgg n PRO 115 Ca 0.07 0.99 -0.28 0.00 -2.02 0.00 0.00 63.50 62.27 1vgg n PRO 115 Cb 0.56 -2.84 -0.16 0.00 -0.02 0.00 0.00 33.50 31.04 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 1.26 1.96 -0.01 2.45 2.96 -1.26 -1.71 118.68 124.32 1vgg s LEU 116 Ca 0.76 -0.40 0.03 0.00 -0.22 0.00 0.00 54.13 54.29 1vgg s LEU 116 Cb -0.51 -1.10 -0.01 0.00 0.50 0.00 0.00 46.19 45.08 1vgg s LEU 116 CO 0.33 0.17 -0.10 -0.54 -1.32 0.00 0.00 176.35 174.89 1vgg s LYS 117 N 0.02 0.84 -0.15 1.98 1.02 -1.26 -0.43 119.74 121.76 1vgg s LYS 117 Ca -0.05 -0.35 -0.03 0.00 0.02 0.00 0.00 55.97 55.57 1vgg s LYS 117 Cb -0.13 -0.81 -0.02 0.00 -0.52 0.00 0.00 37.83 36.35 1vgg s LYS 117 CO 0.03 0.20 -0.06 0.08 -0.92 0.00 0.00 175.35 174.67 1vgg s VAL 118 N -0.15 3.66 -0.20 3.17 1.01 0.11 -4.45 120.40 123.55 1vgg s VAL 118 Ca 0.03 -0.44 -0.21 0.00 0.00 0.00 0.00 61.98 61.36 1vgg s VAL 118 Cb -0.05 -2.59 -0.02 0.00 0.00 0.00 0.00 36.38 33.72 1vgg s VAL 118 CO -0.00 0.50 0.63 -0.69 0.00 0.00 0.00 175.10 175.54 1vgg s VAL 119 N 0.39 5.01 0.13 2.92 1.01 -0.12 -0.48 120.40 129.26 1vgg s VAL 119 Ca -0.06 1.19 0.07 0.00 0.00 0.00 0.00 61.98 63.18 1vgg s VAL 119 Cb -0.15 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 1vgg s VAL 119 CO 0.04 0.10 -0.16 0.68 0.00 0.00 0.00 175.10 175.76 1vgg s VAL 120 N 1.97 1.52 -0.07 2.92 -7.23 -0.23 0.20 120.40 119.49 1vgg s VAL 120 Ca 0.29 -1.76 0.03 0.00 -1.81 0.00 0.00 61.98 58.73 1vgg s VAL 120 Cb -0.16 -1.63 -0.02 0.00 0.56 0.00 0.00 36.38 35.13 1vgg s VAL 120 CO 0.10 -0.35 -0.16 0.00 -0.31 0.00 0.00 175.10 174.39 1vgg s ALA 121 N -2.00 2.57 -0.03 1.32 0.00 0.07 -0.65 121.76 123.04 1vgg s ALA 121 Ca 0.11 -0.97 0.04 0.00 0.00 0.00 0.00 51.96 51.14 1vgg s ALA 121 Cb -0.06 -0.98 -0.01 0.00 0.00 0.00 0.00 23.12 22.08 1vgg s ALA 121 CO 0.04 0.46 -0.16 -2.00 0.00 0.00 0.00 175.76 174.10 1vgg s GLU 122 N -0.38 1.57 -0.22 0.00 2.12 0.94 -0.56 118.70 122.17 1vgg s GLU 122 Ca 0.04 -0.57 -0.03 0.00 0.36 0.00 0.00 54.97 54.76 1vgg s GLU 122 Cb -0.12 -1.41 0.11 0.00 0.26 0.00 0.00 34.13 32.97 1vgg s GLU 122 CO 0.02 0.26 0.30 -2.00 -0.54 0.00 0.00 175.26 173.31 1vgg s GLU 123 N -0.06 0.27 7.02 4.30 2.56 -0.54 -1.21 118.70 131.03 1vgg s GLU 123 Ca -0.01 0.42 0.00 0.00 0.00 0.00 0.00 54.97 55.38 1vgg s GLU 123 Cb -0.10 -0.75 0.00 0.00 2.00 0.00 0.00 34.13 35.29 1vgg s GLU 123 CO 0.01 -0.62 0.00 0.41 -0.56 0.00 0.00 175.26 174.51 1vgg n GLY 124 N 5.34 2.73 2.24 -1.50 0.00 -1.26 -2.18 105.19 110.57 1vgg n GLY 124 Ca -0.05 -0.31 -0.30 0.00 0.00 0.00 0.00 46.02 45.36 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 13.54 2.48 -4.11 1.61 1.02 -1.26 -4.90 120.64 129.02 1vgg n GLU 125 Ca 0.00 -3.01 -0.14 0.00 -0.02 0.00 0.00 57.16 53.99 1vgg n GLU 125 Cb 0.00 -2.18 -0.12 0.00 -0.02 0.00 0.00 31.44 29.12 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 -3.46 0.55 0.02 3.49 -0.21 -0.93 -5.02 119.66 114.10 1vgg s GLN 126 Ca 0.59 -0.65 0.00 0.00 0.02 0.00 0.00 55.36 55.32 1vgg s GLN 126 Cb 0.47 -0.39 -0.02 0.00 1.00 0.00 0.00 33.01 34.07 1vgg s GLN 126 CO 0.02 0.08 -0.03 1.03 -2.12 0.00 0.00 175.29 174.27 1vgg s ARG 127 N -1.25 0.31 -0.02 2.91 0.52 -1.26 -1.47 118.95 118.69 1vgg s ARG 127 Ca -0.06 -0.60 0.04 0.00 -0.52 0.00 0.00 55.73 54.59 1vgg s ARG 127 Cb -0.08 0.08 -0.01 0.00 0.52 0.00 0.00 34.95 35.46 1vgg s ARG 127 CO 0.00 -0.04 -0.12 0.00 0.02 0.00 0.00 175.30 175.16 1vgg s ALA 128 N -1.40 1.02 -0.18 2.13 0.00 0.27 -4.19 121.76 119.41 1vgg s ALA 128 Ca -0.15 -0.49 -0.25 0.00 0.00 0.00 0.00 51.96 51.06 1vgg s ALA 128 Cb -0.10 -0.29 -0.01 0.00 0.00 0.00 0.00 23.12 22.72 1vgg s ALA 128 CO -0.01 0.23 0.84 0.42 0.00 0.00 0.00 175.76 177.23 1vgg s ILE 129 N -0.15 4.87 -0.12 0.00 1.01 -1.26 -0.75 121.20 124.80 1vgg s ILE 129 Ca 0.02 1.63 0.20 0.00 0.00 0.00 0.00 60.65 62.50 1vgg s ILE 129 Cb -0.06 -4.14 -0.25 0.00 0.01 0.00 0.00 42.46 38.02 1vgg s ILE 129 CO -0.00 0.01 0.41 0.18 0.00 0.00 0.00 174.94 175.54 1vgg n LEU 130 N 5.35 0.20 0.00 2.97 4.77 0.13 -4.96 117.00 125.45 1vgg n LEU 130 Ca 0.05 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1vgg n LEU 130 Cb 0.49 0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.77 1vgg n LEU 130 CO 0.48 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 1vgg n GLY 131 N 1.46 -0.47 0.00 -0.72 0.00 -1.17 -4.99 105.19 99.30 1vgg n GLY 131 Ca -0.16 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.40 0.00 0.00 1.61 0.24 -1.26 -0.95 118.33 117.57 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 -0.01 -1.34 4.64 -1.26 -4.97 116.55 113.60 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 -0.58 3.74 0.27 0.00 -0.69 -4.94 105.19 102.98 1vgg n GLY 135 Ca 0.00 -1.13 -0.24 0.00 0.00 0.00 0.00 46.02 44.66 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 2.65 0.79 1.61 0.08 -1.26 -4.95 117.98 116.90 1vgg s PHE 136 Ca 0.00 -0.48 -0.12 0.00 0.12 0.00 0.00 56.93 56.44 1vgg s PHE 136 Cb 0.00 -1.82 0.07 0.00 -0.57 0.00 0.00 43.02 40.70 1vgg s PHE 136 CO 0.00 0.24 1.14 0.95 -0.10 0.00 0.00 175.22 177.45 1vgg s THR 137 N -2.51 2.69 0.36 0.64 -4.23 -1.26 -4.98 115.64 106.35 1vgg s THR 137 Ca 0.40 0.26 -0.27 0.00 -1.18 0.00 0.00 61.69 60.91 1vgg s THR 137 Cb 0.00 -2.63 -0.09 0.00 1.34 0.00 0.00 72.50 71.12 1vgg s THR 137 CO 0.23 -0.26 1.19 -2.84 -0.54 0.00 0.00 174.62 172.41 1vgg s PRO 138 N -4.48 4.22 0.00 3.99 0.02 -1.26 -4.95 135.00 132.54 1vgg s PRO 138 Ca 0.67 1.93 0.21 0.00 0.02 0.00 0.00 61.00 63.83 1vgg s PRO 138 Cb -0.22 -2.86 -0.17 0.00 0.02 0.00 0.00 34.50 31.27 1vgg s PRO 138 CO 0.52 -0.20 0.91 1.28 -0.33 0.00 0.00 177.00 179.18 1vgg n LEU 139 N 0.43 1.22 0.00 -5.54 4.77 -1.26 -5.06 117.00 111.57 1vgg n LEU 139 Ca 0.02 -0.57 0.00 0.00 -0.03 0.00 0.00 56.01 55.44 1vgg n LEU 139 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1vgg n LEU 139 CO 0.53 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 1vgg n GLY 140 N 1.46 -0.96 3.18 -0.72 0.00 -1.26 -5.15 105.19 101.74 1vgg n GLY 140 Ca 0.05 -0.92 -0.28 0.00 0.00 0.00 0.00 46.02 44.87 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 1.64 0.55 1.61 1.01 -1.26 -5.13 120.40 115.82 1vgg s VAL 141 Ca 0.00 -0.84 -0.21 0.00 0.00 0.00 0.00 61.98 60.93 1vgg s VAL 141 Cb 0.00 -1.40 -0.05 0.00 0.00 0.00 0.00 36.38 34.93 1vgg s VAL 141 CO 0.00 0.47 1.28 -1.83 0.00 0.00 0.00 175.10 175.01 1vgg s GLU 142 N -0.03 3.18 0.48 2.72 -1.05 -1.26 -5.05 118.70 117.70 1vgg s GLU 142 Ca -0.04 2.03 0.06 0.00 -0.15 0.00 0.00 54.97 56.87 1vgg s GLU 142 Cb -0.12 -2.18 0.06 0.00 -0.44 0.00 0.00 34.13 31.45 1vgg s GLU 142 CO 0.03 -1.10 0.47 -0.40 0.95 0.00 0.00 175.26 175.21 1vgg n ASP 143 N -1.12 2.27 0.22 0.83 3.85 -1.26 -4.94 116.55 116.40 1vgg n ASP 143 Ca 0.11 -2.52 0.06 0.00 -0.71 0.00 0.00 54.79 51.72 1vgg n ASP 143 Cb 0.47 -0.15 0.53 0.00 -1.35 0.00 0.00 41.12 40.62 1vgg n ASP 143 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 1vgg h GLU 144 N 0.00 0.04 -0.43 0.11 4.39 -1.99 -1.42 114.58 115.28 1vgg h GLU 144 Ca -0.28 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.37 1vgg h GLU 144 Cb 1.09 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.71 1vgg h GLU 144 CO 0.42 0.15 0.08 0.00 -1.16 0.00 0.00 179.01 178.50 1vgg h ALA 145 N 1.86 0.57 -0.14 3.43 0.00 -1.99 -1.11 119.26 121.89 1vgg h ALA 145 Ca 0.01 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 1vgg h ALA 145 Cb 0.21 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1vgg h ALA 145 CO 0.01 0.28 -0.28 0.93 0.00 0.00 0.00 179.25 180.20 1vgg h GLU 146 N 0.57 0.26 -0.27 0.00 4.39 -1.81 -0.89 114.58 116.83 1vgg h GLU 146 Ca 0.13 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 1vgg h GLU 146 Cb 0.36 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 1vgg h GLU 146 CO 0.01 0.52 0.09 0.28 -1.16 0.00 0.00 179.01 178.75 1vgg h VAL 147 N 0.23 1.20 -0.79 3.13 2.07 -0.89 -1.32 116.25 119.87 1vgg h VAL 147 Ca 0.03 -0.63 0.02 0.00 0.82 0.00 0.00 66.70 66.95 1vgg h VAL 147 Cb 0.62 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 1vgg h VAL 147 CO 0.04 0.21 0.52 0.00 0.02 0.00 0.00 177.57 178.36 1vgg h ALA 148 N 0.92 1.48 -0.56 1.67 0.00 -0.68 -1.66 119.26 120.43 1vgg h ALA 148 Ca 0.09 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1vgg h ALA 148 Cb 0.24 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1vgg h ALA 148 CO -0.00 0.46 -0.05 -1.49 0.00 0.00 0.00 179.25 178.16 1vgg h TRP 149 N 1.02 1.13 0.00 0.00 -0.00 -0.73 -1.18 115.95 116.20 1vgg h TRP 149 Ca 0.30 -0.22 -0.07 0.00 -0.00 0.00 0.00 58.89 58.91 1vgg h TRP 149 Cb -0.04 -0.29 -0.01 0.00 -0.00 0.00 0.00 29.16 28.82 1vgg h TRP 149 CO -0.00 1.03 -0.31 0.07 -0.00 0.00 0.00 178.44 179.23 1vgg h ARG 150 N 0.91 0.00 -0.12 0.49 0.11 -0.79 -0.62 114.38 114.36 1vgg h ARG 150 Ca 0.15 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 60.12 1vgg h ARG 150 Cb 0.61 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.70 1vgg h ARG 150 CO 0.04 0.31 -0.37 0.87 0.10 0.00 0.00 179.97 180.92 1vgg h LYS 151 N 0.00 0.46 -0.70 0.08 1.57 -1.14 -2.88 116.57 113.97 1vgg h LYS 151 Ca -0.00 -0.34 0.02 0.00 -1.87 0.00 0.00 60.65 58.46 1vgg h LYS 151 Cb 0.98 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 33.31 1vgg h LYS 151 CO 0.04 0.96 0.45 0.22 -0.57 0.00 0.00 179.45 180.55 1vgg h ASP 152 N 0.06 0.77 -0.25 0.86 3.58 -1.04 -2.50 116.42 117.90 1vgg h ASP 152 Ca -0.01 -0.01 0.04 0.00 0.42 0.00 0.00 57.03 57.47 1vgg h ASP 152 Cb 0.99 -0.18 -0.04 0.00 1.72 0.00 0.00 39.33 41.82 1vgg h ASP 152 CO 0.08 0.55 -0.01 0.25 -2.88 0.00 0.00 179.24 177.22 1vgg h LEU 153 N 0.91 -0.12 -1.35 2.28 5.85 -1.09 -0.57 115.31 121.23 1vgg h LEU 153 Ca 0.27 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.99 1vgg h LEU 153 Cb -0.06 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1vgg h LEU 153 CO -0.08 -0.03 -0.14 -0.07 -0.34 0.00 0.00 178.44 177.78 1vgg h LEU 154 N 0.06 0.25 -0.39 2.25 3.38 -1.27 -0.21 115.31 119.38 1vgg h LEU 154 Ca 0.12 -0.05 -0.18 0.00 0.09 0.00 0.00 57.88 57.85 1vgg h LEU 154 Cb 0.16 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 1vgg h LEU 154 CO -0.21 0.42 -0.66 0.03 0.09 0.00 0.00 178.44 178.11 1vgg h ARG 155 N 0.25 0.57 0.00 1.13 -0.00 -1.01 0.86 114.38 116.17 1vgg h ARG 155 Ca 0.05 -0.42 -0.11 0.00 -0.50 0.00 0.00 59.98 59.00 1vgg h ARG 155 Cb 0.41 0.07 -0.02 0.00 0.00 0.00 0.00 29.97 30.43 1vgg h ARG 155 CO 0.02 1.04 -0.53 0.00 0.00 0.00 0.00 179.97 180.50 1vgg h ARG 156 N 0.41 0.00 0.00 0.04 3.08 -0.61 -2.46 114.38 114.84 1vgg h ARG 156 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1vgg h ARG 156 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.29 1vgg h ARG 156 CO 0.12 0.53 -0.05 1.28 -1.07 0.00 0.00 179.97 180.78 1vgg n LEU 157 N -3.90 0.65 0.00 3.04 4.77 -0.14 -4.93 117.00 116.49 1vgg n LEU 157 Ca -0.01 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 1vgg n LEU 157 Cb 0.54 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1vgg n LEU 157 CO 0.41 -0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 1vgg n GLY 158 N 1.35 0.67 0.13 -0.72 0.00 -0.65 -4.95 105.19 101.02 1vgg n GLY 158 Ca 0.06 -0.13 0.09 0.00 0.00 0.00 0.00 46.02 46.03 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 -3.91 1.61 -1.99 -1.12 -3.46 116.97 108.10 1vgg h TYR 159 Ca 0.00 0.00 -0.38 0.00 2.00 0.00 0.00 58.73 60.35 1vgg h TYR 159 Cb 0.00 0.00 -0.21 0.00 2.00 0.00 0.00 36.73 38.52 1vgg h TYR 159 CO 0.00 0.15 -0.77 0.15 -0.00 0.00 0.00 178.16 177.69 1vgg s LYS 160 N -3.22 0.78 0.00 4.88 -0.14 -1.04 -4.99 119.74 116.00 1vgg s LYS 160 Ca 0.01 -0.96 0.20 0.00 -1.36 0.00 0.00 55.97 53.86 1vgg s LYS 160 Cb 0.08 -0.71 0.16 0.00 -1.68 0.00 0.00 37.83 35.68 1vgg s LYS 160 CO 0.77 0.15 1.13 1.28 -0.76 0.00 0.00 175.35 177.92