#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g72 h ALA 2 N 0.00 1.41 -0.67 2.12 0.00 -2.00 -1.79 119.26 118.33 1g72 h ALA 2 Ca 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1g72 h ALA 2 Cb 0.00 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 1g72 h ALA 2 CO 0.00 0.51 0.31 0.22 0.00 0.00 0.00 179.25 180.29 1g72 h ASP 3 N 1.16 0.89 -0.37 0.00 -0.00 -1.98 -1.50 116.42 114.61 1g72 h ASP 3 Ca 0.36 -0.14 -0.04 0.00 -0.00 0.00 0.00 57.03 57.21 1g72 h ASP 3 Cb -0.01 -0.23 -0.01 0.00 -0.00 0.00 0.00 39.33 39.08 1g72 h ASP 3 CO -0.10 0.78 0.07 0.25 -0.00 0.00 0.00 179.24 180.24 1g72 h LEU 4 N 0.93 0.58 -1.24 2.28 5.85 -1.76 -2.44 115.31 119.51 1g72 h LEU 4 Ca 0.23 -0.25 0.06 0.00 0.84 0.00 0.00 57.88 58.76 1g72 h LEU 4 Cb 0.14 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 40.96 1g72 h LEU 4 CO -0.03 0.68 0.54 0.44 -0.34 0.00 0.00 178.44 179.74 1g72 h ASP 5 N 0.45 0.81 -0.50 1.25 3.32 -1.04 0.17 116.42 120.88 1g72 h ASP 5 Ca 0.11 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.12 1g72 h ASP 5 Cb 0.34 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1g72 h ASP 5 CO 0.01 0.52 0.14 0.50 -1.72 0.00 0.00 179.24 178.69 1g72 h LYS 6 N 0.92 0.80 -0.46 3.56 3.64 -0.97 -1.86 116.57 122.20 1g72 h LYS 6 Ca 0.36 -0.18 -0.10 0.00 -1.27 0.00 0.00 60.65 59.46 1g72 h LYS 6 Cb 0.22 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1g72 h LYS 6 CO -0.13 0.76 -0.11 1.96 -2.27 0.00 0.00 179.45 179.66 1g72 h GLN 7 N 0.69 0.88 -0.77 1.90 1.08 -0.83 -2.75 115.11 115.30 1g72 h GLN 7 Ca 0.16 -0.34 0.10 0.00 -1.45 0.00 0.00 58.65 57.12 1g72 h GLN 7 Cb 0.30 -0.05 -0.05 0.00 -0.05 0.00 0.00 27.48 27.63 1g72 h GLN 7 CO -0.00 0.98 0.51 0.28 -0.95 0.00 0.00 178.83 179.64 1g72 h VAL 8 N 0.72 0.94 -0.45 -0.54 2.07 -0.46 -0.97 116.25 117.55 1g72 h VAL 8 Ca 0.12 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1g72 h VAL 8 Cb 0.65 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1g72 h VAL 8 CO 0.04 0.13 0.00 0.59 0.02 0.00 0.00 177.57 178.35 1g72 n ASN 9 N -4.50 2.68 -4.60 0.57 3.02 -0.72 -4.83 115.26 106.88 1g72 n ASN 9 Ca 0.13 -2.07 -0.39 0.00 -0.03 0.00 0.00 54.58 52.22 1g72 n ASN 9 Cb 0.33 -0.35 -0.10 0.00 -0.61 0.00 0.00 39.78 39.06 1g72 n ASN 9 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1g72 s THR 10 N -1.47 5.23 0.30 3.41 2.01 -0.37 -5.04 115.64 119.71 1g72 s THR 10 Ca 0.32 0.41 -0.30 0.00 0.31 0.00 0.00 61.69 62.42 1g72 s THR 10 Cb 0.17 -3.63 -0.12 0.00 0.01 0.00 0.00 72.50 68.94 1g72 s THR 10 CO 0.20 0.20 1.58 0.00 -0.69 0.00 0.00 174.62 175.91 1g72 n ALA 11 N 5.21 2.54 -0.84 7.40 0.00 -1.26 -2.44 120.51 131.11 1g72 n ALA 11 Ca -0.11 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1g72 n ALA 11 Cb 0.51 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.50 1g72 n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1g72 n GLY 12 N 1.96 0.95 3.96 0.00 0.00 -1.26 -4.86 105.19 105.95 1g72 n GLY 12 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 1g72 n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g72 s ALA 13 N -3.70 3.85 -0.45 4.61 0.00 -1.02 -1.69 121.76 123.36 1g72 s ALA 13 Ca 0.00 -1.15 0.05 0.00 0.00 0.00 0.00 51.96 50.86 1g72 s ALA 13 Cb 0.00 -2.05 0.18 0.00 0.00 0.00 0.00 23.12 21.25 1g72 s ALA 13 CO 0.00 -0.34 0.50 1.87 0.00 0.00 0.00 175.76 177.79 1g72 n TRP 14 N -2.01 -2.10 1.10 0.00 -0.00 -0.30 -4.90 117.44 109.24 1g72 n TRP 14 Ca 0.01 -2.53 0.12 0.00 -0.00 0.00 0.00 57.50 55.11 1g72 n TRP 14 Cb 0.58 0.75 0.30 0.00 -0.00 0.00 0.00 31.31 32.94 1g72 n TRP 14 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 1g72 n PRO 15 N 2.86 0.37 -4.30 5.87 -0.04 -1.25 -1.07 135.00 137.42 1g72 n PRO 15 Ca 0.25 -0.22 -0.26 0.00 -0.04 0.00 0.00 63.50 63.24 1g72 n PRO 15 Cb 0.51 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 32.31 1g72 n PRO 15 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1g72 s ILE 16 N -2.78 1.11 0.36 0.52 1.01 -1.26 -4.07 121.20 116.09 1g72 s ILE 16 Ca 0.17 -0.41 0.14 0.00 0.00 0.00 0.00 60.65 60.55 1g72 s ILE 16 Cb 0.18 -1.06 0.35 0.00 0.01 0.00 0.00 42.46 41.95 1g72 s ILE 16 CO 0.63 0.36 1.74 0.00 0.00 0.00 0.00 174.94 177.67 1g72 h ALA 17 N 7.47 2.02 -0.29 9.38 0.00 -1.90 0.77 119.26 136.71 1g72 h ALA 17 Ca -0.31 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1g72 h ALA 17 Cb 1.16 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1g72 h ALA 17 CO 0.45 -0.47 0.00 0.25 0.00 0.00 0.00 179.25 179.48 1g72 n THR 18 N -4.78 0.37 -0.12 0.00 -2.24 -1.26 -4.94 114.28 101.32 1g72 n THR 18 Ca 0.27 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1g72 n THR 18 Cb 0.84 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 69.54 1g72 n THR 18 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1g72 n GLY 19 N 1.23 1.08 0.00 3.38 0.00 0.26 -0.81 105.19 110.33 1g72 n GLY 19 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1g72 n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g72 n GLY 20 N -2.00 0.14 0.32 -0.02 0.00 -1.26 -4.75 105.19 97.61 1g72 n GLY 20 Ca 0.00 -1.25 -0.01 0.00 0.00 0.00 0.00 46.02 44.77 1g72 n GLY 20 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1g72 h TYR 21 N 0.00 0.81 0.00 1.61 0.05 -1.93 -1.65 116.97 115.85 1g72 h TYR 21 Ca 0.00 -0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.75 1g72 h TYR 21 Cb 0.00 -0.25 0.00 0.00 1.01 0.00 0.00 36.73 37.49 1g72 h TYR 21 CO 0.00 0.60 0.00 0.66 -1.05 0.00 0.00 178.16 178.37 1g72 n TYR 22 N -4.35 0.00 -3.75 4.88 0.53 -1.26 0.03 117.16 113.24 1g72 n TYR 22 Ca 0.05 0.00 -0.25 0.00 -1.02 0.00 0.00 57.90 56.68 1g72 n TYR 22 Cb 0.14 -0.49 0.04 0.00 -1.03 0.00 0.00 39.34 38.00 1g72 n TYR 22 CO 0.00 0.00 0.00 0.43 -1.02 0.00 0.00 176.86 176.27 1g72 n SER 23 N -1.49 -3.77 -0.17 7.72 7.64 -0.62 -1.59 113.62 121.34 1g72 n SER 23 Ca 0.06 -0.73 0.14 0.00 1.01 0.00 0.00 58.87 59.35 1g72 n SER 23 Cb 0.30 -4.27 0.61 0.00 -1.01 0.00 0.00 64.21 59.84 1g72 n SER 23 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1g72 n GLN 24 N -4.58 0.86 -4.20 1.43 6.02 -1.24 -4.68 117.38 110.99 1g72 n GLN 24 Ca -0.10 -0.33 -0.38 0.00 -0.01 0.00 0.00 57.00 56.19 1g72 n GLN 24 Cb 0.59 -1.49 -0.05 0.00 1.02 0.00 0.00 30.24 30.31 1g72 n GLN 24 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 1g72 n HIS 25 N -0.78 -1.28 -4.47 1.08 -0.00 0.01 -1.56 115.22 108.22 1g72 n HIS 25 Ca 0.16 0.35 -0.25 0.00 -0.00 0.00 0.00 57.72 57.98 1g72 n HIS 25 Cb 0.28 -2.72 -0.07 0.00 -0.00 0.00 0.00 29.99 27.48 1g72 n HIS 25 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.34 176.61 1g72 n ASN 26 N -2.49 0.86 -3.70 0.26 2.04 -1.26 -3.25 115.26 107.72 1g72 n ASN 26 Ca -0.23 -3.24 -0.14 0.00 -0.44 0.00 0.00 54.58 50.53 1g72 n ASN 26 Cb 0.62 1.19 -0.09 0.00 -2.53 0.00 0.00 39.78 38.97 1g72 n ASN 26 CO 0.00 0.00 0.00 -0.55 -0.44 0.00 0.00 177.26 176.27 1g72 s SER 27 N -3.54 -0.44 0.00 0.53 0.15 -0.42 -4.94 113.70 105.04 1g72 s SER 27 Ca 0.25 0.71 0.29 0.00 0.70 0.00 0.00 55.95 57.90 1g72 s SER 27 Cb 0.01 0.75 1.19 0.00 -1.71 0.00 0.00 66.02 66.27 1g72 s SER 27 CO 0.18 -0.28 1.87 -0.81 1.20 0.00 0.00 173.24 175.40 1g72 n PRO 28 N 2.23 0.22 -1.76 5.44 -0.04 -1.26 -0.97 135.00 138.86 1g72 n PRO 28 Ca -0.16 -0.04 -0.42 0.00 -0.04 0.00 0.00 63.50 62.84 1g72 n PRO 28 Cb 0.57 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.50 1g72 n PRO 28 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1g72 s LEU 29 N -2.81 4.40 -0.07 1.53 1.43 -1.26 -4.54 118.68 117.36 1g72 s LEU 29 Ca 0.20 2.68 0.10 0.00 -1.03 0.00 0.00 54.13 56.07 1g72 s LEU 29 Cb 0.19 -3.56 0.15 0.00 0.03 0.00 0.00 46.19 43.00 1g72 s LEU 29 CO 0.53 -0.99 1.04 0.00 0.23 0.00 0.00 176.35 177.16 1g72 n ALA 30 N 5.94 2.05 -0.36 4.21 0.00 -1.26 -3.30 120.51 127.80 1g72 n ALA 30 Ca 0.18 -1.80 -0.02 0.00 0.00 0.00 0.00 53.44 51.80 1g72 n ALA 30 Cb 0.39 -0.31 0.11 0.00 0.00 0.00 0.00 19.45 19.64 1g72 n ALA 30 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1g72 h GLN 31 N 0.00 1.24 -5.63 0.00 4.15 -1.98 -3.38 115.11 109.50 1g72 h GLN 31 Ca 0.00 -0.07 -0.58 0.00 0.77 0.00 0.00 58.65 58.76 1g72 h GLN 31 Cb 1.01 -0.28 -0.09 0.00 0.21 0.00 0.00 27.48 28.33 1g72 h GLN 31 CO 0.00 0.82 -0.17 0.42 -1.93 0.00 0.00 178.83 177.97 1g72 s ILE 32 N -6.11 5.20 0.25 2.39 1.01 -1.26 -4.98 121.20 117.70 1g72 s ILE 32 Ca -0.13 0.85 0.00 0.00 0.00 0.00 0.00 60.65 61.37 1g72 s ILE 32 Cb 0.18 -3.77 -0.00 0.00 0.01 0.00 0.00 42.46 38.87 1g72 s ILE 32 CO 0.81 0.31 0.32 -0.46 0.00 0.00 0.00 174.94 175.92 1g72 n ASN 33 N 3.89 -0.87 -0.28 3.58 0.23 -1.26 -4.12 115.26 116.42 1g72 n ASN 33 Ca -0.08 -2.44 0.12 0.00 -0.53 0.00 0.00 54.58 51.65 1g72 n ASN 33 Cb 0.51 1.70 0.36 0.00 -2.08 0.00 0.00 39.78 40.27 1g72 n ASN 33 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 1g72 h LYS 34 N 0.00 0.70 0.00 -3.83 1.57 -1.83 0.17 116.57 113.35 1g72 h LYS 34 Ca -0.19 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.46 1g72 h LYS 34 Cb 0.87 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 1g72 h LYS 34 CO 0.26 0.46 -0.43 0.66 -0.57 0.00 0.00 179.45 179.84 1g72 h SER 35 N 0.72 0.00 0.00 0.86 4.64 -1.96 -3.36 113.55 114.45 1g72 h SER 35 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 1g72 h SER 35 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 1g72 h SER 35 CO -0.22 0.43 0.00 -0.46 -0.87 0.00 0.00 176.83 175.71 1g72 n ASN 36 N -3.43 0.66 0.16 4.97 0.23 -0.91 -4.73 115.26 112.21 1g72 n ASN 36 Ca 0.00 -0.85 0.19 0.00 -0.53 0.00 0.00 54.58 53.40 1g72 n ASN 36 Cb 0.58 0.27 0.79 0.00 -2.08 0.00 0.00 39.78 39.34 1g72 n ASN 36 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 1g72 h VAL 37 N 0.04 0.35 0.00 3.53 3.04 -0.83 0.20 116.25 122.58 1g72 h VAL 37 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1g72 h VAL 37 Cb 0.02 0.72 0.00 0.00 -2.01 0.00 0.00 31.29 30.02 1g72 h VAL 37 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.57 176.63 1g72 h LYS 38 N 0.00 0.00 -0.31 4.17 2.10 -1.84 -1.99 116.57 118.69 1g72 h LYS 38 Ca 0.13 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.78 1g72 h LYS 38 Cb 0.82 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.15 1g72 h LYS 38 CO -0.00 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.54 1g72 n ASN 39 N -2.55 2.74 -4.77 7.07 3.02 0.69 -4.94 115.26 116.52 1g72 n ASN 39 Ca 0.00 -1.89 -0.40 0.00 -0.03 0.00 0.00 54.58 52.26 1g72 n ASN 39 Cb 0.19 -0.20 -0.03 0.00 -0.61 0.00 0.00 39.78 39.13 1g72 n ASN 39 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1g72 s VAL 40 N -1.60 3.16 0.15 2.41 1.01 -0.75 -4.72 120.40 120.06 1g72 s VAL 40 Ca 0.36 1.12 -0.04 0.00 0.00 0.00 0.00 61.98 63.41 1g72 s VAL 40 Cb 0.20 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 1g72 s VAL 40 CO 0.29 0.23 0.15 -1.59 0.00 0.00 0.00 175.10 174.18 1g72 s LYS 41 N -1.77 1.03 0.22 2.72 -2.85 -0.19 -4.95 119.74 113.96 1g72 s LYS 41 Ca 0.49 -1.34 -0.31 0.00 -1.00 0.00 0.00 55.97 53.81 1g72 s LYS 41 Cb -0.34 0.30 -0.10 0.00 -2.06 0.00 0.00 37.83 35.62 1g72 s LYS 41 CO 0.44 -0.33 1.53 0.00 0.10 0.00 0.00 175.35 177.09 1g72 s ALA 42 N -4.02 3.72 -0.24 0.59 0.00 -1.26 -1.51 121.76 119.04 1g72 s ALA 42 Ca 0.22 1.40 -0.17 0.00 0.00 0.00 0.00 51.96 53.41 1g72 s ALA 42 Cb 0.06 -3.61 -0.15 0.00 0.00 0.00 0.00 23.12 19.43 1g72 s ALA 42 CO 0.02 -0.81 -0.10 0.00 0.00 0.00 0.00 175.76 174.87 1g72 n ALA 43 N 3.02 0.97 -3.78 0.00 0.00 0.13 -4.85 120.51 115.99 1g72 n ALA 43 Ca 0.10 -0.79 -0.04 0.00 0.00 0.00 0.00 53.44 52.71 1g72 n ALA 43 Cb 0.39 -0.18 -0.01 0.00 0.00 0.00 0.00 19.45 19.64 1g72 n ALA 43 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 1g72 s TRP 44 N -2.45 -0.10 0.12 0.00 1.48 -1.19 -5.03 118.94 111.76 1g72 s TRP 44 Ca -0.33 -0.25 -0.05 0.00 -1.06 0.00 0.00 56.10 54.42 1g72 s TRP 44 Cb 0.10 0.66 -0.02 0.00 -1.16 0.00 0.00 33.47 33.05 1g72 s TRP 44 CO 0.52 -0.92 0.13 -1.54 -4.06 0.00 0.00 176.95 171.08 1g72 s SER 45 N -2.99 0.23 -0.16 -2.66 1.04 -1.26 -1.34 113.70 106.55 1g72 s SER 45 Ca 0.13 -0.97 -0.07 0.00 0.48 0.00 0.00 55.95 55.52 1g72 s SER 45 Cb -0.02 0.33 0.07 0.00 0.10 0.00 0.00 66.02 66.49 1g72 s SER 45 CO 0.04 -0.75 0.36 0.12 0.98 0.00 0.00 173.24 173.98 1g72 s PHE 46 N -3.97 -0.60 -0.04 5.02 5.36 -0.00 -4.99 117.98 118.76 1g72 s PHE 46 Ca 0.16 1.24 -0.15 0.00 -0.96 0.00 0.00 56.93 57.22 1g72 s PHE 46 Cb 0.06 0.18 -0.05 0.00 -0.34 0.00 0.00 43.02 42.87 1g72 s PHE 46 CO -0.03 -0.38 0.39 0.45 -1.46 0.00 0.00 175.22 174.18 1g72 s SER 47 N 2.06 6.73 0.21 6.13 0.15 -1.26 0.33 113.70 128.06 1g72 s SER 47 Ca -0.04 0.87 0.25 0.00 0.70 0.00 0.00 55.95 57.73 1g72 s SER 47 Cb -0.11 -2.24 0.58 0.00 -1.71 0.00 0.00 66.02 62.54 1g72 s SER 47 CO -0.11 0.27 1.59 0.71 1.20 0.00 0.00 173.24 176.89 1g72 h THR 48 N 3.94 0.00 -0.11 6.45 1.35 -1.73 -3.47 112.91 119.34 1g72 h THR 48 Ca -0.49 -0.57 -0.05 0.00 -0.55 0.00 0.00 66.41 64.75 1g72 h THR 48 Cb 1.21 1.42 -0.02 0.00 -1.73 0.00 0.00 68.15 69.04 1g72 h THR 48 CO 0.64 0.00 -0.04 0.61 -0.25 0.00 0.00 175.52 176.48 1g72 n GLY 49 N 1.28 0.57 3.15 5.82 0.00 -1.26 -5.02 105.19 109.73 1g72 n GLY 49 Ca 0.04 -0.63 -0.18 0.00 0.00 0.00 0.00 46.02 45.26 1g72 n GLY 49 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g72 s VAL 50 N -2.03 1.01 0.00 1.61 1.01 -1.26 -5.13 120.40 115.61 1g72 s VAL 50 Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 61.98 60.78 1g72 s VAL 50 Cb 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.40 1g72 s VAL 50 CO 0.00 -0.20 0.00 0.18 0.00 0.00 0.00 175.10 175.08 1g72 n LEU 51 N 1.45 0.00 -0.98 3.92 4.77 -1.26 -3.79 117.00 121.11 1g72 n LEU 51 Ca -0.21 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 55.90 1g72 n LEU 51 Cb 0.54 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.59 1g72 n LEU 51 CO 0.22 0.00 -0.24 0.59 -1.33 0.00 0.00 177.39 176.63 1g72 n ASN 52 N 0.00 -5.86 -4.70 -1.43 4.13 -1.26 -4.65 115.26 101.48 1g72 n ASN 52 Ca 0.00 0.53 -0.43 0.00 1.68 0.00 0.00 54.58 56.35 1g72 n ASN 52 Cb 0.00 -3.06 -0.03 0.00 -1.54 0.00 0.00 39.78 35.15 1g72 n ASN 52 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1g72 n GLY 53 N -3.43 1.43 3.11 7.41 0.00 -1.19 -4.62 105.19 107.89 1g72 n GLY 53 Ca -0.01 0.63 -0.37 0.00 0.00 0.00 0.00 46.02 46.27 1g72 n GLY 53 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1g72 s HIS 54 N 1.15 3.42 0.77 1.61 3.76 -0.79 -4.44 115.29 120.77 1g72 s HIS 54 Ca 0.76 -2.69 -0.06 0.00 -0.15 0.00 0.00 55.06 52.92 1g72 s HIS 54 Cb -0.55 -3.23 0.13 0.00 1.11 0.00 0.00 32.58 30.03 1g72 s HIS 54 CO 0.34 -0.84 1.07 -1.21 -0.85 0.00 0.00 174.74 173.24 1g72 s GLU 55 N -0.11 1.58 2.04 1.40 2.02 -1.25 -4.17 118.70 120.21 1g72 s GLU 55 Ca 0.17 -0.74 0.00 0.00 0.02 0.00 0.00 54.97 54.42 1g72 s GLU 55 Cb -0.19 -2.19 0.00 0.00 0.10 0.00 0.00 34.13 31.85 1g72 s GLU 55 CO -0.04 -1.60 0.00 0.41 0.02 0.00 0.00 175.26 174.05 1g72 n GLY 56 N -3.05 -0.91 3.41 -1.39 0.00 -1.26 -4.57 105.19 97.41 1g72 n GLY 56 Ca 0.13 -1.16 -0.10 0.00 0.00 0.00 0.00 46.02 44.89 1g72 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g72 s ALA 57 N -1.41 -1.00 0.91 4.61 0.00 -1.26 -4.09 121.76 119.52 1g72 s ALA 57 Ca 0.00 -0.06 -0.12 0.00 0.00 0.00 0.00 51.96 51.78 1g72 s ALA 57 Cb 0.00 0.78 0.14 0.00 0.00 0.00 0.00 23.12 24.04 1g72 s ALA 57 CO 0.00 -0.72 1.11 -1.25 0.00 0.00 0.00 175.76 174.90 1g72 s PRO 58 N -3.83 1.17 0.07 0.00 0.04 -1.26 -4.70 135.00 126.49 1g72 s PRO 58 Ca 0.05 0.54 0.05 0.00 0.04 0.00 0.00 61.00 61.69 1g72 s PRO 58 Cb 0.00 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.69 1g72 s PRO 58 CO -0.08 -2.23 -0.07 -0.51 0.04 0.00 0.00 177.00 174.14 1g72 s LEU 59 N -6.14 3.16 -0.15 -3.56 1.43 -0.82 -4.95 118.68 107.65 1g72 s LEU 59 Ca 0.63 -0.27 -0.00 0.00 -1.03 0.00 0.00 54.13 53.46 1g72 s LEU 59 Cb -0.16 -1.90 0.04 0.00 0.03 0.00 0.00 46.19 44.19 1g72 s LEU 59 CO 0.55 0.21 -0.07 -0.69 0.23 0.00 0.00 176.35 176.59 1g72 s VAL 60 N -1.16 1.16 -0.27 -1.59 1.01 -0.24 -0.61 120.40 118.70 1g72 s VAL 60 Ca 0.21 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.65 1g72 s VAL 60 Cb -0.11 -1.26 0.07 0.00 0.00 0.00 0.00 36.38 35.07 1g72 s VAL 60 CO 0.13 0.22 -0.06 -0.63 0.00 0.00 0.00 175.10 174.76 1g72 s ILE 61 N 1.63 1.98 0.00 2.22 -1.09 0.58 -1.15 121.20 125.37 1g72 s ILE 61 Ca 0.02 -1.65 0.00 0.00 -2.23 0.00 0.00 60.65 56.79 1g72 s ILE 61 Cb -0.14 -2.21 0.00 0.00 -1.58 0.00 0.00 42.46 38.53 1g72 s ILE 61 CO -0.08 -0.18 0.00 0.61 -1.23 0.00 0.00 174.94 174.06 1g72 n GLY 62 N 4.47 3.25 0.46 6.18 0.00 -1.26 -1.37 105.19 116.92 1g72 n GLY 62 Ca -0.10 -0.14 0.14 0.00 0.00 0.00 0.00 46.02 45.92 1g72 n GLY 62 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1g72 n ASP 63 N 6.81 1.45 -4.81 1.61 10.43 -1.26 -4.92 116.55 125.87 1g72 n ASP 63 Ca 0.00 -1.43 -0.35 0.00 2.57 0.00 0.00 54.79 55.58 1g72 n ASP 63 Cb 0.00 0.01 -0.07 0.00 1.84 0.00 0.00 41.12 42.91 1g72 n ASP 63 CO 0.00 0.00 0.00 -0.04 -1.07 0.00 0.00 177.20 176.09 1g72 s MET 64 N -2.06 3.22 -0.03 -1.24 -1.94 -0.47 -0.17 119.30 116.62 1g72 s MET 64 Ca 0.36 -0.33 0.07 0.00 -1.71 0.00 0.00 55.69 54.08 1g72 s MET 64 Cb 0.21 -2.99 -0.02 0.00 2.01 0.00 0.00 34.83 34.05 1g72 s MET 64 CO 0.36 0.71 -0.23 1.41 -0.01 0.00 0.00 175.02 177.25 1g72 s MET 65 N -1.35 2.01 -0.16 2.03 1.75 0.37 -0.31 119.30 123.65 1g72 s MET 65 Ca 0.19 -0.84 0.01 0.00 -1.25 0.00 0.00 55.69 53.81 1g72 s MET 65 Cb -0.12 -1.88 0.02 0.00 2.84 0.00 0.00 34.83 35.69 1g72 s MET 65 CO 0.09 0.47 -0.20 0.71 -0.65 0.00 0.00 175.02 175.43 1g72 s TYR 66 N -0.44 2.71 -0.01 4.11 2.02 0.22 -0.50 117.35 125.45 1g72 s TYR 66 Ca 0.06 -1.52 0.03 0.00 -0.37 0.00 0.00 57.07 55.27 1g72 s TYR 66 Cb -0.10 -1.86 -0.03 0.00 -0.40 0.00 0.00 41.96 39.56 1g72 s TYR 66 CO 0.00 -0.73 -0.09 0.08 -1.57 0.00 0.00 175.55 173.24 1g72 s VAL 67 N 1.13 3.50 0.11 0.71 1.01 0.23 -1.95 120.40 125.14 1g72 s VAL 67 Ca 0.01 -0.75 0.07 0.00 0.00 0.00 0.00 61.98 61.31 1g72 s VAL 67 Cb -0.14 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 1g72 s VAL 67 CO -0.09 0.46 -0.17 -1.38 0.00 0.00 0.00 175.10 173.92 1g72 s HIS 68 N -0.92 1.53 0.26 5.22 -3.43 -1.26 -0.65 115.29 116.05 1g72 s HIS 68 Ca 0.15 -0.47 0.02 0.00 -0.80 0.00 0.00 55.06 53.96 1g72 s HIS 68 Cb -0.11 -0.83 0.02 0.00 -1.43 0.00 0.00 32.58 30.23 1g72 s HIS 68 CO 0.05 0.16 0.14 -1.13 -2.00 0.00 0.00 174.74 171.96 1g72 n SER 69 N 0.92 2.12 -3.75 7.38 3.41 -0.83 -4.98 113.62 117.88 1g72 n SER 69 Ca -0.18 -1.98 -0.25 0.00 -0.26 0.00 0.00 58.87 56.20 1g72 n SER 69 Cb 0.55 0.04 0.17 0.00 -0.26 0.00 0.00 64.21 64.71 1g72 n SER 69 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1g72 n ALA 70 N -2.37 -1.10 -1.52 7.33 0.00 -1.26 -4.42 120.51 117.16 1g72 n ALA 70 Ca -0.09 -1.55 -0.46 0.00 0.00 0.00 0.00 53.44 51.35 1g72 n ALA 70 Cb 0.31 -0.02 -0.02 0.00 0.00 0.00 0.00 19.45 19.72 1g72 n ALA 70 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1g72 n PHE 71 N -3.46 0.65 0.67 0.00 7.35 -0.47 -0.77 117.46 121.43 1g72 n PHE 71 Ca 0.15 0.79 0.00 0.00 -0.76 0.00 0.00 57.45 57.63 1g72 n PHE 71 Cb 0.51 -2.15 0.00 0.00 0.35 0.00 0.00 39.48 38.19 1g72 n PHE 71 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1g72 n PRO 72 N 0.81 0.67 -3.17 -7.13 -0.04 -1.26 -4.87 135.00 120.01 1g72 n PRO 72 Ca 0.12 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.45 1g72 n PRO 72 Cb 0.30 -1.28 0.06 0.00 -0.04 0.00 0.00 33.50 32.54 1g72 n PRO 72 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1g72 n ASN 73 N 0.32 -6.61 -4.84 3.54 4.13 0.05 -4.26 115.26 107.58 1g72 n ASN 73 Ca 0.00 -0.62 -0.32 0.00 1.68 0.00 0.00 54.58 55.32 1g72 n ASN 73 Cb 0.22 -5.07 -0.05 0.00 -1.54 0.00 0.00 39.78 33.34 1g72 n ASN 73 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 1g72 s ASN 74 N -3.33 6.76 -0.07 6.41 0.01 -1.26 -4.52 114.94 118.94 1g72 s ASN 74 Ca 0.40 1.43 0.04 0.00 -0.71 0.00 0.00 52.86 54.02 1g72 s ASN 74 Cb -0.05 -2.44 -0.00 0.00 0.41 0.00 0.00 41.25 39.17 1g72 s ASN 74 CO 0.72 -0.35 -0.20 -0.89 -1.51 0.00 0.00 177.10 174.87 1g72 s THR 75 N -2.21 1.73 -0.04 1.60 2.01 -0.47 -1.97 115.64 116.30 1g72 s THR 75 Ca 0.57 -0.85 0.04 0.00 0.31 0.00 0.00 61.69 61.76 1g72 s THR 75 Cb -0.10 -1.50 -0.00 0.00 0.01 0.00 0.00 72.50 70.91 1g72 s THR 75 CO 0.20 0.49 -0.17 -0.31 -0.69 0.00 0.00 174.62 174.15 1g72 s TYR 76 N 0.24 1.66 -0.15 4.92 1.51 0.18 -0.97 117.35 124.73 1g72 s TYR 76 Ca -0.12 -0.46 -0.01 0.00 -1.01 0.00 0.00 57.07 55.47 1g72 s TYR 76 Cb -0.15 -1.12 -0.01 0.00 -0.11 0.00 0.00 41.96 40.57 1g72 s TYR 76 CO 0.05 -0.15 -0.11 0.00 -1.11 0.00 0.00 175.55 174.23 1g72 s ALA 77 N 0.01 2.67 -0.02 3.71 0.00 -0.15 -0.60 121.76 127.38 1g72 s ALA 77 Ca -0.03 -0.97 0.06 0.00 0.00 0.00 0.00 51.96 51.03 1g72 s ALA 77 Cb -0.11 -1.34 -0.02 0.00 0.00 0.00 0.00 23.12 21.65 1g72 s ALA 77 CO 0.02 0.06 -0.21 -0.51 0.00 0.00 0.00 175.76 175.12 1g72 s LEU 78 N 0.66 2.04 -0.25 0.00 1.43 0.35 -0.70 118.68 122.22 1g72 s LEU 78 Ca -0.06 -0.38 -0.18 0.00 -1.03 0.00 0.00 54.13 52.49 1g72 s LEU 78 Cb -0.15 -1.07 -0.03 0.00 0.03 0.00 0.00 46.19 44.97 1g72 s LEU 78 CO 0.02 0.26 0.51 0.21 0.23 0.00 0.00 176.35 177.57 1g72 s ASN 79 N -0.48 6.45 0.21 2.29 3.84 -1.26 -0.47 114.94 125.52 1g72 s ASN 79 Ca 0.08 0.55 0.12 0.00 0.21 0.00 0.00 52.86 53.82 1g72 s ASN 79 Cb -0.08 -2.28 0.67 0.00 -0.55 0.00 0.00 41.25 39.01 1g72 s ASN 79 CO -0.01 -0.25 1.34 0.18 -2.79 0.00 0.00 177.10 175.57 1g72 n LEU 80 N 5.32 0.32 0.24 3.21 4.77 0.77 -0.54 117.00 131.10 1g72 n LEU 80 Ca -0.05 0.61 0.12 0.00 -0.03 0.00 0.00 56.01 56.66 1g72 n LEU 80 Cb 0.50 -0.63 0.58 0.00 -2.33 0.00 0.00 43.42 41.54 1g72 n LEU 80 CO 0.40 -0.72 0.88 0.78 -1.33 0.00 0.00 177.39 177.40 1g72 h ASN 81 N 0.00 0.00 -1.36 -1.43 4.21 -1.92 -3.38 115.58 111.70 1g72 h ASN 81 Ca 0.00 0.00 -0.19 0.00 1.21 0.00 0.00 56.30 57.32 1g72 h ASN 81 Cb 0.17 0.00 -0.23 0.00 -1.12 0.00 0.00 38.32 37.13 1g72 h ASN 81 CO 0.00 0.17 -0.55 -0.62 -1.29 0.00 0.00 177.43 175.14 1g72 s ASP 82 N -6.13 -0.53 0.05 5.81 3.68 0.30 -5.00 116.67 114.85 1g72 s ASP 82 Ca -0.01 -1.24 0.05 0.00 2.13 0.00 0.00 52.55 53.49 1g72 s ASP 82 Cb 0.11 1.41 0.24 0.00 -1.45 0.00 0.00 42.92 43.24 1g72 s ASP 82 CO 0.61 -0.19 1.15 -2.65 0.13 0.00 0.00 175.17 174.23 1g72 n PRO 83 N 4.14 0.02 0.00 4.34 -0.02 -1.23 -1.87 135.00 140.38 1g72 n PRO 83 Ca 0.13 0.49 0.15 0.00 -2.02 0.00 0.00 63.50 62.24 1g72 n PRO 83 Cb 0.53 -1.57 0.70 0.00 -0.02 0.00 0.00 33.50 33.14 1g72 n PRO 83 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1g72 n GLY 84 N -1.27 -1.19 3.22 -1.23 0.00 -1.26 -4.77 105.19 98.69 1g72 n GLY 84 Ca 0.00 -0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 1g72 n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1g72 s LYS 85 N -2.56 3.11 -0.47 1.61 2.36 -0.78 -5.08 119.74 117.92 1g72 s LYS 85 Ca 0.28 -0.82 -0.22 0.00 -2.55 0.00 0.00 55.97 52.66 1g72 s LYS 85 Cb 0.20 -2.49 0.03 0.00 -1.05 0.00 0.00 37.83 34.53 1g72 s LYS 85 CO 0.47 0.04 0.76 0.42 1.55 0.00 0.00 175.35 178.59 1g72 s ILE 86 N 0.72 4.67 0.09 5.43 1.01 -1.26 -4.30 121.20 127.56 1g72 s ILE 86 Ca -0.09 0.22 -0.18 0.00 0.00 0.00 0.00 60.65 60.60 1g72 s ILE 86 Cb -0.16 -4.33 -0.07 0.00 0.01 0.00 0.00 42.46 37.91 1g72 s ILE 86 CO 0.01 -0.77 1.56 0.58 0.00 0.00 0.00 174.94 176.32 1g72 h VAL 87 N 5.95 1.24 -2.84 2.92 2.07 -1.30 -3.46 116.25 120.83 1g72 h VAL 87 Ca -0.25 -0.81 -0.04 0.00 0.82 0.00 0.00 66.70 66.41 1g72 h VAL 87 Cb 1.09 1.25 -0.15 0.00 -1.52 0.00 0.00 31.29 31.97 1g72 h VAL 87 CO 0.97 0.26 0.10 -1.66 0.02 0.00 0.00 177.57 177.26 1g72 s TRP 88 N -5.13 -0.47 0.06 1.57 1.48 -1.23 -5.02 118.94 110.20 1g72 s TRP 88 Ca -0.14 0.43 -0.10 0.00 -1.06 0.00 0.00 56.10 55.24 1g72 s TRP 88 Cb 0.08 0.42 0.00 0.00 -1.16 0.00 0.00 33.47 32.81 1g72 s TRP 88 CO 0.74 -0.72 0.20 1.14 -4.06 0.00 0.00 176.95 174.26 1g72 s GLN 89 N -2.93 0.75 -0.17 3.25 -2.07 -1.26 -0.97 119.66 116.27 1g72 s GLN 89 Ca -0.03 -0.72 -0.01 0.00 -1.82 0.00 0.00 55.36 52.79 1g72 s GLN 89 Cb -0.00 0.31 0.04 0.00 -1.09 0.00 0.00 33.01 32.27 1g72 s GLN 89 CO -0.06 -0.23 -0.04 -1.58 -1.32 0.00 0.00 175.29 172.07 1g72 s HIS 90 N -2.97 1.63 -0.46 9.60 2.46 -0.14 -4.98 115.29 120.43 1g72 s HIS 90 Ca -0.02 -1.05 0.00 0.00 0.47 0.00 0.00 55.06 54.46 1g72 s HIS 90 Cb 0.01 -1.28 0.12 0.00 -0.13 0.00 0.00 32.58 31.30 1g72 s HIS 90 CO -0.06 -0.61 0.23 0.15 -2.47 0.00 0.00 174.74 171.98 1g72 s LYS 91 N 1.66 2.00 0.65 2.88 1.02 -1.26 -1.36 119.74 125.33 1g72 s LYS 91 Ca 0.00 -2.15 -0.18 0.00 0.02 0.00 0.00 55.97 53.67 1g72 s LYS 91 Cb -0.15 -3.48 -0.01 0.00 -0.52 0.00 0.00 37.83 33.66 1g72 s LYS 91 CO -0.08 -1.07 1.23 -2.30 -0.92 0.00 0.00 175.35 172.21 1g72 n PRO 92 N 3.98 1.03 -3.73 -1.68 -0.02 -1.26 -5.00 135.00 128.32 1g72 n PRO 92 Ca 0.03 0.41 -0.38 0.00 -2.02 0.00 0.00 63.50 61.54 1g72 n PRO 92 Cb 0.39 -2.46 -0.12 0.00 -0.02 0.00 0.00 33.50 31.28 1g72 n PRO 92 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1g72 s LYS 93 N -3.30 2.71 0.11 -0.52 1.02 -1.26 -4.96 119.74 113.54 1g72 s LYS 93 Ca 0.81 -1.12 0.08 0.00 0.02 0.00 0.00 55.97 55.76 1g72 s LYS 93 Cb -0.38 -3.49 -0.04 0.00 -0.52 0.00 0.00 37.83 33.41 1g72 s LYS 93 CO 0.42 -0.64 -0.20 -0.65 -0.92 0.00 0.00 175.35 173.36 1g72 s GLN 94 N 1.44 1.13 0.14 1.68 -0.21 -1.26 -5.11 119.66 117.46 1g72 s GLN 94 Ca -0.01 -1.19 -0.31 0.00 0.02 0.00 0.00 55.36 53.88 1g72 s GLN 94 Cb -0.19 -1.34 -0.08 0.00 1.00 0.00 0.00 33.01 32.40 1g72 s GLN 94 CO 0.03 0.30 1.35 0.34 -2.12 0.00 0.00 175.29 175.20 1g72 s ASP 95 N -2.02 6.86 0.63 5.90 3.68 -1.26 -4.89 116.67 125.56 1g72 s ASP 95 Ca 0.07 2.34 0.36 0.00 2.13 0.00 0.00 52.55 57.45 1g72 s ASP 95 Cb -0.09 -2.59 2.04 0.00 -1.45 0.00 0.00 42.92 40.83 1g72 s ASP 95 CO 0.04 -0.60 2.27 0.00 0.13 0.00 0.00 175.17 177.01 1g72 h ALA 96 N 6.30 1.34 0.00 3.66 0.00 -2.04 -1.64 119.26 126.88 1g72 h ALA 96 Ca -0.43 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1g72 h ALA 96 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1g72 h ALA 96 CO 0.83 -0.05 0.00 0.66 0.00 0.00 0.00 179.25 180.69 1g72 h SER 97 N 0.00 0.00 -0.81 0.00 4.64 -2.03 -2.55 113.55 112.80 1g72 h SER 97 Ca 0.01 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.37 1g72 h SER 97 Cb 0.09 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.13 1g72 h SER 97 CO -0.00 0.00 0.53 0.74 -0.87 0.00 0.00 176.83 177.23 1g72 h THR 98 N 0.00 1.11 -0.06 2.95 2.02 -1.68 -2.19 112.91 115.06 1g72 h THR 98 Ca 0.00 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 66.84 1g72 h THR 98 Cb 0.22 0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 66.68 1g72 h THR 98 CO 0.00 0.18 0.00 0.11 0.37 0.00 0.00 175.52 176.18 1g72 h LYS 99 N 0.97 0.08 0.00 6.66 1.57 -1.68 -2.73 116.57 121.45 1g72 h LYS 99 Ca 0.33 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1g72 h LYS 99 Cb 0.08 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1g72 h LYS 99 CO -0.10 0.09 0.00 0.00 -0.57 0.00 0.00 179.45 178.87 1g72 h ALA 100 N 1.93 1.00 -0.53 3.86 0.00 -1.58 -2.79 119.26 121.15 1g72 h ALA 100 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1g72 h ALA 100 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1g72 h ALA 100 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 179.25 180.58 1g72 n VAL 101 N -3.07 1.43 -3.56 0.00 0.24 -1.03 -4.88 118.33 107.45 1g72 n VAL 101 Ca -0.00 -1.17 -0.39 0.00 -2.04 0.00 0.00 64.34 60.74 1g72 n VAL 101 Cb 0.24 0.29 -0.11 0.00 -1.47 0.00 0.00 33.84 32.79 1g72 n VAL 101 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 1g72 s MET 102 N -1.49 3.78 0.13 7.34 1.00 -1.06 -4.86 119.30 124.15 1g72 s MET 102 Ca 0.41 -0.43 -0.16 0.00 0.00 0.00 0.00 55.69 55.51 1g72 s MET 102 Cb 0.25 -3.72 -0.01 0.00 0.00 0.00 0.00 34.83 31.35 1g72 s MET 102 CO 0.22 -0.28 1.66 0.00 0.00 0.00 0.00 175.02 176.62 1g72 n ASP 105 N -0.16 -0.36 -3.37 0.00 2.03 -1.26 -3.68 116.55 109.75 1g72 n ASP 105 Ca 0.30 0.07 -0.39 0.00 0.52 0.00 0.00 54.79 55.29 1g72 n ASP 105 Cb 0.49 0.05 -0.01 0.00 -0.72 0.00 0.00 41.12 40.93 1g72 n ASP 105 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1g72 n VAL 106 N -1.95 4.96 -2.27 5.18 0.24 -1.26 -4.94 118.33 118.29 1g72 n VAL 106 Ca -0.00 -3.95 -0.27 0.00 -2.04 0.00 0.00 64.34 58.07 1g72 n VAL 106 Cb 0.03 -2.11 0.04 0.00 -1.47 0.00 0.00 33.84 30.32 1g72 n VAL 106 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 1g72 s VAL 107 N -0.74 3.47 -0.13 3.34 -7.23 -1.26 -1.36 120.40 116.49 1g72 s VAL 107 Ca 0.57 0.07 -0.04 0.00 -1.81 0.00 0.00 61.98 60.77 1g72 s VAL 107 Cb 0.20 -3.41 0.06 0.00 0.56 0.00 0.00 36.38 33.79 1g72 s VAL 107 CO -0.10 -0.45 0.22 -0.62 -0.31 0.00 0.00 175.10 173.85 1g72 s ASP 108 N -4.34 0.63 -0.00 4.85 3.68 -1.26 -4.64 116.67 115.59 1g72 s ASP 108 Ca 0.55 0.39 0.03 0.00 2.13 0.00 0.00 52.55 55.65 1g72 s ASP 108 Cb -0.11 0.51 0.09 0.00 -1.45 0.00 0.00 42.92 41.97 1g72 s ASP 108 CO 0.46 -0.25 1.07 0.54 0.13 0.00 0.00 175.17 177.11 1g72 n ARG 109 N 5.34 1.24 0.00 4.34 1.74 0.55 -3.93 116.66 125.93 1g72 n ARG 109 Ca -0.05 -0.36 0.00 0.00 -0.77 0.00 0.00 57.85 56.66 1g72 n ARG 109 Cb 0.50 -1.09 0.00 0.00 -1.02 0.00 0.00 32.46 30.85 1g72 n ARG 109 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1g72 n GLY 110 N 0.65 2.25 4.00 -0.13 0.00 -1.26 -4.14 105.19 106.56 1g72 n GLY 110 Ca 0.03 -2.14 -0.18 0.00 0.00 0.00 0.00 46.02 43.73 1g72 n GLY 110 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1g72 s LEU 111 N 0.00 3.80 0.30 0.99 1.43 -1.26 -4.27 118.68 119.68 1g72 s LEU 111 Ca 0.00 -0.27 0.03 0.00 -1.03 0.00 0.00 54.13 52.86 1g72 s LEU 111 Cb 0.00 -2.73 -0.06 0.00 0.03 0.00 0.00 46.19 43.43 1g72 s LEU 111 CO 0.00 -0.61 0.08 0.00 0.23 0.00 0.00 176.35 176.05 1g72 s ALA 112 N -2.28 2.13 -0.03 4.21 0.00 -0.67 -4.61 121.76 120.50 1g72 s ALA 112 Ca 0.50 -1.95 -0.03 0.00 0.00 0.00 0.00 51.96 50.49 1g72 s ALA 112 Cb -0.10 0.83 0.01 0.00 0.00 0.00 0.00 23.12 23.86 1g72 s ALA 112 CO 0.32 -0.37 0.08 -0.47 0.00 0.00 0.00 175.76 175.32 1g72 s TYR 113 N -3.48 -0.09 -0.29 0.00 6.14 -1.26 -1.13 117.35 117.25 1g72 s TYR 113 Ca 0.37 0.21 -0.25 0.00 0.64 0.00 0.00 57.07 58.04 1g72 s TYR 113 Cb 0.08 0.03 0.16 0.00 0.42 0.00 0.00 41.96 42.65 1g72 s TYR 113 CO 0.15 -0.04 1.25 0.20 0.64 0.00 0.00 175.55 177.74 1g72 s GLY 114 N 0.06 0.12 -1.36 8.97 0.00 -0.80 -4.83 107.32 109.48 1g72 s GLY 114 Ca -0.00 3.13 -0.01 0.00 0.00 0.00 0.00 44.72 47.84 1g72 s GLY 114 CO 0.00 1.90 0.53 0.00 0.00 0.00 0.00 173.10 175.52 1g72 n ALA 115 N 1.89 -2.04 -1.78 3.20 0.00 -1.26 -1.31 120.51 119.20 1g72 n ALA 115 Ca -0.11 -0.23 -0.20 0.00 0.00 0.00 0.00 53.44 52.89 1g72 n ALA 115 Cb 0.56 -1.75 -0.07 0.00 0.00 0.00 0.00 19.45 18.19 1g72 n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1g72 n GLY 116 N -1.83 1.37 3.25 0.00 0.00 -1.26 -4.97 105.19 101.74 1g72 n GLY 116 Ca -0.30 -0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.50 1g72 n GLY 116 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1g72 s GLN 117 N -4.04 1.04 -0.32 1.61 -0.21 -0.43 -1.37 119.66 115.95 1g72 s GLN 117 Ca 0.00 -1.20 -0.13 0.00 0.02 0.00 0.00 55.36 54.05 1g72 s GLN 117 Cb 0.00 -1.03 -0.03 0.00 1.00 0.00 0.00 33.01 32.95 1g72 s GLN 117 CO 0.00 0.21 0.27 0.42 -2.12 0.00 0.00 175.29 174.08 1g72 s ILE 118 N -1.82 5.25 -0.27 1.08 -1.09 0.14 -1.90 121.20 122.58 1g72 s ILE 118 Ca 0.08 0.04 -0.19 0.00 -2.23 0.00 0.00 60.65 58.35 1g72 s ILE 118 Cb -0.07 -3.69 -0.02 0.00 -1.58 0.00 0.00 42.46 37.10 1g72 s ILE 118 CO 0.04 0.06 0.58 -0.69 -1.23 0.00 0.00 174.94 173.69 1g72 s VAL 119 N 1.85 5.01 -0.00 2.92 1.01 -0.28 -0.69 120.40 130.22 1g72 s VAL 119 Ca 0.09 0.94 0.01 0.00 0.00 0.00 0.00 61.98 63.02 1g72 s VAL 119 Cb -0.17 -3.91 -0.00 0.00 0.00 0.00 0.00 36.38 32.30 1g72 s VAL 119 CO 0.11 0.00 -0.03 -0.75 0.00 0.00 0.00 175.10 174.43 1g72 s LYS 120 N 2.45 0.24 0.46 2.72 2.36 0.30 -1.68 119.74 126.59 1g72 s LYS 120 Ca 0.24 -0.11 0.06 0.00 -2.55 0.00 0.00 55.97 53.61 1g72 s LYS 120 Cb -0.15 -0.23 -0.02 0.00 -1.05 0.00 0.00 37.83 36.38 1g72 s LYS 120 CO 0.10 0.06 0.27 -1.59 1.55 0.00 0.00 175.35 175.74 1g72 s LYS 121 N -0.08 2.28 0.09 4.03 0.00 -1.26 0.15 119.74 124.94 1g72 s LYS 121 Ca 0.01 -1.90 0.06 0.00 0.00 0.00 0.00 55.97 54.14 1g72 s LYS 121 Cb -0.01 -2.05 -0.03 0.00 0.00 0.00 0.00 37.83 35.74 1g72 s LYS 121 CO -0.00 -0.31 -0.15 -0.65 0.00 0.00 0.00 175.35 174.24 1g72 s GLN 122 N -4.06 0.91 0.36 1.78 -0.21 -0.29 -4.96 119.66 113.20 1g72 s GLN 122 Ca 0.37 -1.06 0.10 0.00 0.02 0.00 0.00 55.36 54.79 1g72 s GLN 122 Cb 0.01 -0.91 0.84 0.00 1.00 0.00 0.00 33.01 33.94 1g72 s GLN 122 CO 0.21 0.20 1.87 0.00 -2.12 0.00 0.00 175.29 175.45 1g72 h ALA 123 N 4.04 1.86 0.00 6.09 0.00 -1.89 -1.57 119.26 127.79 1g72 h ALA 123 Ca -0.41 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1g72 h ALA 123 Cb 1.19 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1g72 h ALA 123 CO 0.43 -0.10 0.00 0.27 0.00 0.00 0.00 179.25 179.85 1g72 n ASN 124 N -4.55 0.02 0.00 0.00 2.04 -1.26 -2.19 115.26 109.31 1g72 n ASN 124 Ca 0.17 -1.15 0.00 0.00 -0.44 0.00 0.00 54.58 53.16 1g72 n ASN 124 Cb 0.47 -0.01 0.00 0.00 -2.53 0.00 0.00 39.78 37.72 1g72 n ASN 124 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1g72 n GLY 125 N 0.08 0.53 3.83 4.83 0.00 -0.59 -4.52 105.19 109.34 1g72 n GLY 125 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1g72 n GLY 125 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1g72 s HIS 126 N -2.24 3.61 -0.10 1.61 3.76 -1.25 -0.05 115.29 120.64 1g72 s HIS 126 Ca 0.00 1.23 0.04 0.00 -0.15 0.00 0.00 55.06 56.18 1g72 s HIS 126 Cb 0.00 -2.50 0.00 0.00 1.11 0.00 0.00 32.58 31.19 1g72 s HIS 126 CO 0.00 0.36 -0.23 -1.17 -0.85 0.00 0.00 174.74 172.85 1g72 s LEU 127 N -2.03 2.05 0.13 0.89 2.96 0.30 -1.14 118.68 121.84 1g72 s LEU 127 Ca 0.41 -0.54 0.05 0.00 -0.22 0.00 0.00 54.13 53.84 1g72 s LEU 127 Cb -0.16 -1.36 -0.04 0.00 0.50 0.00 0.00 46.19 45.13 1g72 s LEU 127 CO 0.20 0.15 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.49 1g72 s LEU 128 N 0.39 2.43 -0.18 -0.68 1.02 0.12 -1.30 118.68 120.48 1g72 s LEU 128 Ca -0.18 -0.84 0.01 0.00 0.02 0.00 0.00 54.13 53.13 1g72 s LEU 128 Cb -0.18 -0.50 0.03 0.00 0.02 0.00 0.00 46.19 45.56 1g72 s LEU 128 CO 0.08 -0.18 -0.17 0.00 0.02 0.00 0.00 176.35 176.10 1g72 s ALA 129 N -2.36 2.15 0.01 4.21 0.00 -0.84 -0.54 121.76 124.39 1g72 s ALA 129 Ca 0.10 -1.14 0.03 0.00 0.00 0.00 0.00 51.96 50.95 1g72 s ALA 129 Cb -0.04 -1.17 -0.03 0.00 0.00 0.00 0.00 23.12 21.88 1g72 s ALA 129 CO 0.02 -0.45 -0.06 -0.51 0.00 0.00 0.00 175.76 174.76 1g72 s LEU 130 N 1.36 3.21 0.09 0.00 1.43 0.14 -0.58 118.68 124.32 1g72 s LEU 130 Ca 0.04 -0.14 -0.31 0.00 -1.03 0.00 0.00 54.13 52.69 1g72 s LEU 130 Cb -0.14 -1.85 -0.09 0.00 0.03 0.00 0.00 46.19 44.15 1g72 s LEU 130 CO -0.11 0.28 1.65 -0.62 0.23 0.00 0.00 176.35 177.77 1g72 s ASP 131 N -1.47 6.59 0.53 2.29 2.15 0.93 0.27 116.67 127.96 1g72 s ASP 131 Ca 0.18 2.52 0.19 0.00 0.43 0.00 0.00 52.55 55.87 1g72 s ASP 131 Cb -0.11 -2.57 1.37 0.00 -0.30 0.00 0.00 42.92 41.31 1g72 s ASP 131 CO 0.08 -0.88 2.15 0.00 -0.17 0.00 0.00 175.17 176.35 1g72 h ALA 132 N 8.12 1.82 0.16 3.66 0.00 -1.53 0.22 119.26 131.70 1g72 h ALA 132 Ca -0.43 -0.03 -0.31 0.00 0.00 0.00 0.00 54.91 54.15 1g72 h ALA 132 Cb 1.20 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.99 1g72 h ALA 132 CO 0.93 0.04 -1.47 0.87 0.00 0.00 0.00 179.25 179.62 1g72 h LYS 133 N 0.00 0.33 0.00 0.00 1.57 -1.89 -3.41 116.57 113.16 1g72 h LYS 133 Ca -0.00 -0.56 0.00 0.00 -1.87 0.00 0.00 60.65 58.22 1g72 h LYS 133 Cb 0.06 0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1g72 h LYS 133 CO 0.00 1.23 -0.81 0.25 -0.57 0.00 0.00 179.45 179.55 1g72 n THR 134 N -3.54 0.00 -0.72 -0.16 -2.24 -1.14 -4.98 114.28 101.49 1g72 n THR 134 Ca -0.15 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 1g72 n THR 134 Cb 1.05 0.61 0.00 0.00 -2.10 0.00 0.00 70.33 69.89 1g72 n THR 134 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1g72 n GLY 135 N 1.98 0.71 3.77 3.38 0.00 0.77 -4.90 105.19 110.89 1g72 n GLY 135 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1g72 n GLY 135 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1g72 s LYS 136 N -0.28 4.35 -0.25 1.61 2.20 -1.26 -4.61 119.74 121.51 1g72 s LYS 136 Ca 0.00 2.01 -0.29 0.00 -0.36 0.00 0.00 55.97 57.33 1g72 s LYS 136 Cb 0.00 -3.00 0.01 0.00 -1.51 0.00 0.00 37.83 33.33 1g72 s LYS 136 CO 0.00 -0.11 1.06 0.42 -0.36 0.00 0.00 175.35 176.36 1g72 s ILE 137 N -1.22 4.61 -0.05 5.43 1.01 -1.26 -0.05 121.20 129.68 1g72 s ILE 137 Ca 0.50 1.92 -0.10 0.00 0.00 0.00 0.00 60.65 62.96 1g72 s ILE 137 Cb -0.35 -4.32 -0.30 0.00 0.01 0.00 0.00 42.46 37.49 1g72 s ILE 137 CO 0.46 -0.26 0.67 0.78 0.00 0.00 0.00 174.94 176.59 1g72 h ASN 138 N 7.68 0.60 -5.00 3.58 2.35 -1.19 -3.48 115.58 120.11 1g72 h ASN 138 Ca -0.20 -0.91 -0.03 0.00 -0.55 0.00 0.00 56.30 54.61 1g72 h ASN 138 Cb 1.06 -0.19 -0.14 0.00 0.05 0.00 0.00 38.32 39.10 1g72 h ASN 138 CO 0.99 1.77 0.20 -1.66 -1.65 0.00 0.00 177.43 177.08 1g72 s TRP 139 N -2.58 -0.56 -0.14 1.19 1.48 -1.21 -5.01 118.94 112.10 1g72 s TRP 139 Ca -0.16 0.51 -0.07 0.00 -1.06 0.00 0.00 56.10 55.32 1g72 s TRP 139 Cb 0.06 0.52 0.05 0.00 -1.16 0.00 0.00 33.47 32.94 1g72 s TRP 139 CO 0.85 -0.79 0.33 -2.00 -4.06 0.00 0.00 176.95 171.28 1g72 s GLU 140 N -3.15 0.30 0.10 3.25 2.12 -1.26 -1.98 118.70 118.08 1g72 s GLU 140 Ca -0.02 0.67 0.01 0.00 0.36 0.00 0.00 54.97 55.99 1g72 s GLU 140 Cb -0.01 -0.07 -0.04 0.00 0.26 0.00 0.00 34.13 34.27 1g72 s GLU 140 CO -0.08 -0.16 -0.03 0.14 -0.54 0.00 0.00 175.26 174.59 1g72 s VAL 141 N 1.36 0.50 -0.03 3.70 -7.23 -0.42 -4.97 120.40 113.30 1g72 s VAL 141 Ca -0.09 -1.90 -0.17 0.00 -1.81 0.00 0.00 61.98 58.00 1g72 s VAL 141 Cb -0.09 -1.73 -0.05 0.00 0.56 0.00 0.00 36.38 35.06 1g72 s VAL 141 CO -0.11 -0.81 0.47 -1.61 -0.31 0.00 0.00 175.10 172.73 1g72 s GLU 142 N -3.89 4.16 0.00 4.82 2.02 -1.26 -0.54 118.70 124.00 1g72 s GLU 142 Ca 0.13 0.50 0.00 0.00 0.02 0.00 0.00 54.97 55.63 1g72 s GLU 142 Cb 0.06 -3.31 0.00 0.00 0.10 0.00 0.00 34.13 30.98 1g72 s GLU 142 CO -0.04 0.46 0.00 0.28 0.02 0.00 0.00 175.26 175.98 1g72 n VAL 143 N 2.56 0.00 -4.11 2.63 0.31 0.93 -4.93 118.33 115.72 1g72 n VAL 143 Ca -0.10 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.09 1g72 n VAL 143 Cb 0.52 -0.71 -0.11 0.00 -0.91 0.00 0.00 33.84 32.62 1g72 n VAL 143 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1g72 s ASP 145 N -1.81 5.04 0.58 0.00 2.15 -1.24 -4.35 116.67 117.04 1g72 s ASP 145 Ca -0.05 -1.57 0.28 0.00 0.43 0.00 0.00 52.55 51.63 1g72 s ASP 145 Cb -0.08 -1.76 1.60 0.00 -0.30 0.00 0.00 42.92 42.37 1g72 s ASP 145 CO 0.00 -0.37 2.07 -0.65 -0.17 0.00 0.00 175.17 176.05 1g72 h PRO 146 N 8.01 0.00 0.00 4.34 0.11 -1.66 -1.38 132.00 141.42 1g72 h PRO 146 Ca -0.17 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.92 1g72 h PRO 146 Cb 1.06 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 1g72 h PRO 146 CO 0.59 0.00 -0.06 0.87 -0.21 0.00 0.00 178.00 179.20 1g72 h LYS 147 N 0.00 0.00 -0.44 1.05 1.57 -1.94 -0.01 116.57 116.81 1g72 h LYS 147 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1g72 h LYS 147 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1g72 h LYS 147 CO -0.00 0.06 0.00 1.33 -0.57 0.00 0.00 179.45 180.27 1g72 n VAL 148 N -3.76 1.75 -0.72 0.50 0.24 -0.55 -3.73 118.33 112.06 1g72 n VAL 148 Ca -0.02 -1.36 0.00 0.00 -2.04 0.00 0.00 64.34 60.92 1g72 n VAL 148 Cb 0.15 0.11 0.00 0.00 -1.47 0.00 0.00 33.84 32.63 1g72 n VAL 148 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1g72 n GLY 149 N 0.43 0.64 3.71 7.63 0.00 -0.02 -3.95 105.19 113.64 1g72 n GLY 149 Ca 0.20 -0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 1g72 n GLY 149 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1g72 s SER 150 N -2.00 6.38 0.34 1.61 0.15 -1.02 -4.45 113.70 114.72 1g72 s SER 150 Ca 0.00 0.44 0.05 0.00 0.70 0.00 0.00 55.95 57.15 1g72 s SER 150 Cb 0.00 -2.17 -0.03 0.00 -1.71 0.00 0.00 66.02 62.11 1g72 s SER 150 CO 0.00 0.08 0.21 0.42 1.20 0.00 0.00 173.24 175.15 1g72 s THR 151 N 0.65 0.20 -0.09 6.45 -4.23 -0.83 -2.13 115.64 115.66 1g72 s THR 151 Ca 0.15 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.69 1g72 s THR 151 Cb -0.13 -2.45 0.01 0.00 1.34 0.00 0.00 72.50 71.27 1g72 s THR 151 CO 0.04 0.00 -0.18 -0.76 -0.54 0.00 0.00 174.62 173.18 1g72 s LEU 152 N -3.43 1.88 0.00 4.79 1.43 -0.93 0.12 118.68 122.54 1g72 s LEU 152 Ca 0.35 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 53.01 1g72 s LEU 152 Cb 0.03 -1.14 0.00 0.00 0.03 0.00 0.00 46.19 45.10 1g72 s LEU 152 CO 0.22 0.09 0.00 0.35 0.23 0.00 0.00 176.35 177.24 1g72 n THR 153 N 3.71 0.00 -1.13 5.49 -2.24 -1.26 -4.00 114.28 114.85 1g72 n THR 153 Ca -0.21 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.27 1g72 n THR 153 Cb 0.52 -0.18 0.13 0.00 -2.10 0.00 0.00 70.33 68.71 1g72 n THR 153 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1g72 s GLN 154 N -1.22 1.40 0.28 -0.78 -2.07 -1.26 -0.33 119.66 115.67 1g72 s GLN 154 Ca 0.00 1.00 -0.27 0.00 -1.82 0.00 0.00 55.36 54.27 1g72 s GLN 154 Cb 0.00 -1.81 -0.09 0.00 -1.09 0.00 0.00 33.01 30.02 1g72 s GLN 154 CO 0.00 -2.19 0.92 0.00 -1.32 0.00 0.00 175.29 172.70 1g72 s ALA 155 N -2.87 3.28 0.84 2.60 0.00 -1.26 -4.64 121.76 119.71 1g72 s ALA 155 Ca 0.63 0.53 -0.11 0.00 0.00 0.00 0.00 51.96 53.01 1g72 s ALA 155 Cb -0.19 -3.16 0.10 0.00 0.00 0.00 0.00 23.12 19.87 1g72 s ALA 155 CO 0.57 0.20 1.09 -2.14 0.00 0.00 0.00 175.76 175.49 1g72 s PRO 156 N -1.67 1.71 -0.08 0.00 0.02 -1.26 -4.94 135.00 128.78 1g72 s PRO 156 Ca 0.45 0.94 0.01 0.00 0.02 0.00 0.00 61.00 62.43 1g72 s PRO 156 Cb -0.22 -1.85 0.02 0.00 0.02 0.00 0.00 34.50 32.47 1g72 s PRO 156 CO 0.27 -1.96 -0.11 0.12 -0.33 0.00 0.00 177.00 174.99 1g72 s PHE 157 N -2.94 1.51 -0.16 6.54 5.36 -0.62 -4.63 117.98 123.04 1g72 s PHE 157 Ca 0.62 -0.63 -0.04 0.00 -0.96 0.00 0.00 56.93 55.92 1g72 s PHE 157 Cb -0.17 -1.15 -0.03 0.00 -0.34 0.00 0.00 43.02 41.33 1g72 s PHE 157 CO 0.56 -0.36 -0.03 0.08 -1.46 0.00 0.00 175.22 174.01 1g72 s VAL 158 N 0.99 3.88 -0.08 3.12 1.01 -1.26 -0.12 120.40 127.94 1g72 s VAL 158 Ca -0.08 -0.36 -0.03 0.00 0.00 0.00 0.00 61.98 61.51 1g72 s VAL 158 Cb -0.15 -2.71 0.04 0.00 0.00 0.00 0.00 36.38 33.57 1g72 s VAL 158 CO -0.00 0.48 0.16 0.00 0.00 0.00 0.00 175.10 175.74 1g72 s ALA 159 N 0.47 -0.24 0.00 5.51 0.00 -0.70 -4.84 121.76 121.96 1g72 s ALA 159 Ca -0.03 0.65 0.00 0.00 0.00 0.00 0.00 51.96 52.57 1g72 s ALA 159 Cb -0.14 -0.66 0.00 0.00 0.00 0.00 0.00 23.12 22.32 1g72 s ALA 159 CO 0.03 -0.38 0.00 1.63 0.00 0.00 0.00 175.76 177.04 1g72 n LYS 160 N 4.80 0.00 -0.83 0.00 5.02 -1.26 -1.02 118.16 124.86 1g72 n LYS 160 Ca -0.15 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.09 1g72 n LYS 160 Cb 0.51 0.00 0.23 0.00 -0.02 0.00 0.00 35.03 35.75 1g72 n LYS 160 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1g72 n ASP 161 N 6.61 3.48 -4.33 4.39 9.92 -1.26 0.93 116.55 136.28 1g72 n ASP 161 Ca 0.00 -3.46 -0.29 0.00 -0.53 0.00 0.00 54.79 50.50 1g72 n ASP 161 Cb 0.00 -0.67 -0.15 0.00 -0.64 0.00 0.00 41.12 39.67 1g72 n ASP 161 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1g72 s THR 162 N -3.11 2.06 -0.18 -3.53 2.01 -0.19 -1.47 115.64 111.24 1g72 s THR 162 Ca 0.48 -1.36 -0.01 0.00 0.31 0.00 0.00 61.69 61.11 1g72 s THR 162 Cb 0.41 -1.77 -0.00 0.00 0.01 0.00 0.00 72.50 71.15 1g72 s THR 162 CO 0.06 0.34 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.54 1g72 s VAL 163 N -0.80 2.95 -0.18 3.82 1.01 -0.24 -1.73 120.40 125.24 1g72 s VAL 163 Ca 0.11 -0.66 -0.09 0.00 0.00 0.00 0.00 61.98 61.34 1g72 s VAL 163 Cb -0.10 -2.29 -0.05 0.00 0.00 0.00 0.00 36.38 33.95 1g72 s VAL 163 CO 0.02 0.48 0.14 -0.76 0.00 0.00 0.00 175.10 174.98 1g72 s LEU 164 N 1.04 4.25 -0.14 3.92 1.02 0.83 -1.21 118.68 128.39 1g72 s LEU 164 Ca -0.01 0.30 -0.08 0.00 0.02 0.00 0.00 54.13 54.36 1g72 s LEU 164 Cb -0.15 -2.10 0.05 0.00 0.02 0.00 0.00 46.19 44.02 1g72 s LEU 164 CO -0.02 0.23 0.34 -0.32 0.02 0.00 0.00 176.35 176.60 1g72 s MET 165 N 0.04 0.33 -0.01 1.70 1.75 -0.53 -1.58 119.30 121.00 1g72 s MET 165 Ca 0.10 0.66 0.06 0.00 -1.25 0.00 0.00 55.69 55.26 1g72 s MET 165 Cb -0.11 -0.03 -0.02 0.00 2.84 0.00 0.00 34.83 37.51 1g72 s MET 165 CO -0.00 -0.14 -0.20 0.20 -0.65 0.00 0.00 175.02 174.22 1g72 s GLY 166 N 1.18 0.99 0.50 2.11 0.00 -1.26 -0.49 107.32 110.35 1g72 s GLY 166 Ca -0.08 -0.88 -0.15 0.00 0.00 0.00 0.00 44.72 43.61 1g72 s GLY 166 CO -0.09 -0.75 0.95 0.00 0.00 0.00 0.00 173.10 173.20 1g72 s SER 168 N -3.23 5.52 0.00 0.00 0.01 0.12 -4.06 113.70 112.06 1g72 s SER 168 Ca 0.57 -0.22 0.00 0.00 1.31 0.00 0.00 55.95 57.61 1g72 s SER 168 Cb -0.10 -1.41 0.00 0.00 0.21 0.00 0.00 66.02 64.72 1g72 s SER 168 CO 0.34 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.59 1g72 n GLY 169 N -0.97 0.25 0.23 3.44 0.00 -1.26 -1.97 105.19 104.91 1g72 n GLY 169 Ca -0.08 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.02 1g72 n GLY 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g72 h ALA 170 N 0.00 1.49 0.00 4.61 0.00 -1.90 -0.05 119.26 123.41 1g72 h ALA 170 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1g72 h ALA 170 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1g72 h ALA 170 CO 0.00 0.23 0.00 0.39 0.00 0.00 0.00 179.25 179.87 1g72 n GLU 171 N -4.02 0.13 -0.18 0.00 4.71 -1.26 -1.66 120.64 118.37 1g72 n GLU 171 Ca -0.02 0.19 0.09 0.00 -0.01 0.00 0.00 57.16 57.41 1g72 n GLU 171 Cb 0.27 -1.50 0.14 0.00 -1.01 0.00 0.00 31.44 29.33 1g72 n GLU 171 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1g72 n LEU 172 N -1.36 2.19 -0.29 -4.62 4.32 -0.14 0.41 117.00 117.51 1g72 n LEU 172 Ca 0.06 -3.00 -0.04 0.00 -0.02 0.00 0.00 56.01 53.01 1g72 n LEU 172 Cb 0.13 -0.40 -0.02 0.00 -1.62 0.00 0.00 43.42 41.51 1g72 n LEU 172 CO 0.11 0.75 -0.04 0.61 -1.22 0.00 0.00 177.39 177.60 1g72 n GLY 173 N -1.27 0.63 3.73 -0.72 0.00 -0.66 -4.70 105.19 102.20 1g72 n GLY 173 Ca 0.15 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 1g72 n GLY 173 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g72 s VAL 174 N -1.94 3.10 -0.33 1.61 1.01 -0.55 -4.33 120.40 118.97 1g72 s VAL 174 Ca 0.00 0.86 -0.26 0.00 0.00 0.00 0.00 61.98 62.58 1g72 s VAL 174 Cb 0.00 -3.55 0.01 0.00 0.00 0.00 0.00 36.38 32.84 1g72 s VAL 174 CO 0.00 0.11 0.94 -0.60 0.00 0.00 0.00 175.10 175.54 1g72 s ARG 175 N 0.33 3.95 0.69 2.72 3.52 -1.26 -2.73 118.95 126.17 1g72 s ARG 175 Ca 0.61 0.75 -0.16 0.00 -0.13 0.00 0.00 55.73 56.80 1g72 s ARG 175 Cb -0.38 -3.76 0.01 0.00 -1.56 0.00 0.00 34.95 29.27 1g72 s ARG 175 CO 0.36 -0.85 1.23 0.20 -0.81 0.00 0.00 175.30 175.43 1g72 s GLY 176 N 1.72 2.56 -0.23 8.12 0.00 0.15 -4.87 107.32 114.77 1g72 s GLY 176 Ca 0.39 1.00 -0.27 0.00 0.00 0.00 0.00 44.72 45.84 1g72 s GLY 176 CO 0.16 1.41 1.01 0.00 0.00 0.00 0.00 173.10 175.68 1g72 s ALA 177 N -1.75 -1.95 -0.27 3.20 0.00 -1.26 -1.47 121.76 118.26 1g72 s ALA 177 Ca 0.77 1.76 -0.11 0.00 0.00 0.00 0.00 51.96 54.38 1g72 s ALA 177 Cb -0.32 -1.14 -0.05 0.00 0.00 0.00 0.00 23.12 21.61 1g72 s ALA 177 CO 0.42 -0.27 0.18 0.54 0.00 0.00 0.00 175.76 176.63 1g72 s VAL 178 N -0.29 5.30 -0.14 0.00 0.11 -0.84 -4.04 120.40 120.50 1g72 s VAL 178 Ca 0.01 0.17 -0.07 0.00 -2.93 0.00 0.00 61.98 59.15 1g72 s VAL 178 Cb -0.03 -3.51 -0.04 0.00 -1.53 0.00 0.00 36.38 31.27 1g72 s VAL 178 CO -0.03 0.28 0.12 0.20 -3.33 0.00 0.00 175.10 172.34 1g72 s ASN 179 N 1.52 6.18 -0.15 3.54 -0.87 0.35 -2.13 114.94 123.38 1g72 s ASN 179 Ca 0.07 0.35 -0.01 0.00 -1.57 0.00 0.00 52.86 51.70 1g72 s ASN 179 Cb -0.15 -2.02 -0.01 0.00 -0.02 0.00 0.00 41.25 39.05 1g72 s ASN 179 CO 0.09 0.33 -0.11 0.00 -2.57 0.00 0.00 177.10 174.83 1g72 s ALA 180 N -0.54 2.65 0.25 0.60 0.00 -0.75 -1.45 121.76 122.52 1g72 s ALA 180 Ca 0.12 -0.97 0.11 0.00 0.00 0.00 0.00 51.96 51.21 1g72 s ALA 180 Cb -0.12 -1.33 -0.05 0.00 0.00 0.00 0.00 23.12 21.62 1g72 s ALA 180 CO 0.02 0.05 -0.19 -0.06 0.00 0.00 0.00 175.76 175.58 1g72 s PHE 181 N 0.68 2.12 -0.08 0.00 0.40 -0.35 -0.21 117.98 120.55 1g72 s PHE 181 Ca -0.06 -0.40 -0.30 0.00 -0.60 0.00 0.00 56.93 55.58 1g72 s PHE 181 Cb -0.15 -0.95 -0.02 0.00 0.51 0.00 0.00 43.02 42.40 1g72 s PHE 181 CO 0.02 0.59 1.11 0.34 0.70 0.00 0.00 175.22 177.98 1g72 s ASP 182 N -3.32 7.14 0.41 1.36 2.15 0.88 -1.08 116.67 124.22 1g72 s ASP 182 Ca 0.26 1.69 0.11 0.00 0.43 0.00 0.00 52.55 55.05 1g72 s ASP 182 Cb -0.04 -2.56 0.94 0.00 -0.30 0.00 0.00 42.92 40.96 1g72 s ASP 182 CO 0.12 -0.52 1.97 0.25 -0.17 0.00 0.00 175.17 176.82 1g72 h LEU 183 N 8.07 0.46 0.09 -1.34 5.85 -1.58 0.29 115.31 127.15 1g72 h LEU 183 Ca -0.33 0.01 -0.30 0.00 0.84 0.00 0.00 57.88 58.10 1g72 h LEU 183 Cb 1.16 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 1g72 h LEU 183 CO 0.87 0.28 -1.54 0.11 -0.34 0.00 0.00 178.44 177.82 1g72 h LYS 184 N 0.51 0.20 0.00 1.25 6.56 -1.92 -3.41 116.57 119.76 1g72 h LYS 184 Ca 0.29 -0.34 0.00 0.00 -1.06 0.00 0.00 60.65 59.54 1g72 h LYS 184 Cb 0.47 0.13 0.00 0.00 -0.57 0.00 0.00 32.23 32.25 1g72 h LYS 184 CO -0.09 1.03 -0.88 0.25 -2.06 0.00 0.00 179.45 177.70 1g72 n THR 185 N -3.39 0.00 -0.99 -0.16 -2.24 -1.16 -4.94 114.28 101.39 1g72 n THR 185 Ca -0.16 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 1g72 n THR 185 Cb 1.04 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.88 1g72 n THR 185 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1g72 n GLY 186 N 1.75 0.57 3.76 3.38 0.00 0.10 -4.89 105.19 109.86 1g72 n GLY 186 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1g72 n GLY 186 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1g72 s GLU 187 N -0.01 4.55 -0.13 1.61 2.12 -1.26 -4.59 118.70 120.99 1g72 s GLU 187 Ca 0.00 1.91 -0.29 0.00 0.36 0.00 0.00 54.97 56.94 1g72 s GLU 187 Cb 0.00 -3.18 -0.03 0.00 0.26 0.00 0.00 34.13 31.18 1g72 s GLU 187 CO 0.00 0.05 1.50 -1.17 -0.54 0.00 0.00 175.26 175.11 1g72 s LEU 188 N -1.20 4.18 -0.12 2.70 2.96 -1.26 -0.08 118.68 125.86 1g72 s LEU 188 Ca 0.48 1.90 -0.05 0.00 -0.22 0.00 0.00 54.13 56.24 1g72 s LEU 188 Cb -0.34 -3.53 -0.02 0.00 0.50 0.00 0.00 46.19 42.80 1g72 s LEU 188 CO 0.42 -0.94 -0.09 0.11 -1.32 0.00 0.00 176.35 174.54 1g72 h LYS 189 N 9.29 0.00 -3.67 1.98 1.57 -0.92 -3.48 116.57 121.34 1g72 h LYS 189 Ca -0.33 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.26 1g72 h LYS 189 Cb 1.14 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.42 1g72 h LYS 189 CO 0.97 0.01 0.02 1.67 -0.57 0.00 0.00 179.45 181.55 1g72 s TRP 190 N -1.93 0.73 -0.23 -1.35 1.48 -1.20 -5.03 118.94 111.41 1g72 s TRP 190 Ca -0.08 -1.15 -0.09 0.00 -1.06 0.00 0.00 56.10 53.71 1g72 s TRP 190 Cb 0.01 0.31 0.09 0.00 -1.16 0.00 0.00 33.47 32.72 1g72 s TRP 190 CO 0.12 -1.37 0.50 0.50 -4.06 0.00 0.00 176.95 172.65 1g72 s ARG 191 N -2.54 0.44 -0.33 3.25 3.52 -1.26 -1.81 118.95 120.21 1g72 s ARG 191 Ca 0.25 1.11 -0.03 0.00 -0.13 0.00 0.00 55.73 56.92 1g72 s ARG 191 Cb -0.03 0.36 0.06 0.00 -1.56 0.00 0.00 34.95 33.78 1g72 s ARG 191 CO 0.18 -0.21 0.06 0.00 -0.81 0.00 0.00 175.30 174.52 1g72 s ALA 192 N 2.32 2.93 0.80 6.12 0.00 -0.91 -4.86 121.76 128.17 1g72 s ALA 192 Ca -0.05 -1.87 -0.12 0.00 0.00 0.00 0.00 51.96 49.92 1g72 s ALA 192 Cb -0.10 -2.10 0.07 0.00 0.00 0.00 0.00 23.12 20.99 1g72 s ALA 192 CO -0.15 -1.37 1.10 -0.06 0.00 0.00 0.00 175.76 175.28 1g72 s PHE 193 N 1.28 2.81 -0.31 0.00 0.40 -0.16 -1.99 117.98 120.00 1g72 s PHE 193 Ca -0.02 1.13 0.22 0.00 -0.60 0.00 0.00 56.93 57.66 1g72 s PHE 193 Cb -0.20 -3.14 -0.08 0.00 0.51 0.00 0.00 43.02 40.10 1g72 s PHE 193 CO -0.00 -1.81 0.88 0.00 0.70 0.00 0.00 175.22 174.98 1g72 n ALA 194 N -3.45 2.92 -2.18 5.36 0.00 -0.54 -4.32 120.51 118.29 1g72 n ALA 194 Ca 0.07 -0.37 -0.11 0.00 0.00 0.00 0.00 53.44 53.02 1g72 n ALA 194 Cb 0.56 -0.96 -0.10 0.00 0.00 0.00 0.00 19.45 18.96 1g72 n ALA 194 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1g72 s THR 195 N -3.35 0.48 0.00 0.00 -4.23 -1.26 0.08 115.64 107.36 1g72 s THR 195 Ca -0.01 -1.93 0.00 0.00 -1.18 0.00 0.00 61.69 58.57 1g72 s THR 195 Cb 0.12 -1.93 0.00 0.00 1.34 0.00 0.00 72.50 72.04 1g72 s THR 195 CO 0.83 -0.63 0.00 0.61 -0.54 0.00 0.00 174.62 174.89 1g72 n GLY 196 N -0.12 -0.66 3.73 3.99 0.00 -0.80 -4.69 105.19 106.64 1g72 n GLY 196 Ca -0.08 -2.16 -0.32 0.00 0.00 0.00 0.00 46.02 43.46 1g72 n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1g72 s SER 197 N -4.00 4.05 0.45 1.61 1.04 -1.26 -3.49 113.70 112.10 1g72 s SER 197 Ca 0.00 2.04 0.13 0.00 0.48 0.00 0.00 55.95 58.60 1g72 s SER 197 Cb 0.00 -2.55 1.06 0.00 0.10 0.00 0.00 66.02 64.62 1g72 s SER 197 CO 0.00 -2.35 2.04 0.44 0.98 0.00 0.00 173.24 174.36 1g72 h ASP 198 N -1.07 0.29 -0.44 7.02 3.45 -1.96 -1.52 116.42 122.20 1g72 h ASP 198 Ca -0.44 -0.00 -0.13 0.00 0.43 0.00 0.00 57.03 56.89 1g72 h ASP 198 Cb 1.25 -0.06 -0.01 0.00 -0.56 0.00 0.00 39.33 39.95 1g72 h ASP 198 CO 0.48 0.20 -0.21 0.44 -1.57 0.00 0.00 179.24 178.58 1g72 h ASP 199 N 0.34 0.95 0.51 6.45 3.45 -1.94 0.05 116.42 126.23 1g72 h ASP 199 Ca 0.18 -0.40 -0.13 0.00 0.43 0.00 0.00 57.03 57.11 1g72 h ASP 199 Cb 0.27 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 38.76 1g72 h ASP 199 CO -0.04 1.14 -0.58 0.77 -1.57 0.00 0.00 179.24 178.97 1g72 h SER 200 N 0.76 0.08 1.54 6.45 4.64 -1.70 -2.92 113.55 122.40 1g72 h SER 200 Ca 0.10 -0.04 -0.06 0.00 -0.47 0.00 0.00 61.79 61.32 1g72 h SER 200 Cb 0.78 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.84 1g72 h SER 200 CO 0.06 0.64 -0.48 0.58 -0.87 0.00 0.00 176.83 176.77 1g72 h VAL 201 N 0.05 0.38 -4.72 0.95 2.07 -1.21 -0.41 116.25 113.36 1g72 h VAL 201 Ca -0.00 -1.56 0.00 0.00 0.82 0.00 0.00 66.70 65.95 1g72 h VAL 201 Cb 1.03 2.10 0.00 0.00 -1.52 0.00 0.00 31.29 32.90 1g72 h VAL 201 CO 0.08 0.22 -0.26 0.54 0.02 0.00 0.00 177.57 178.17 1g72 n ARG 202 N -3.07 -1.53 -4.27 1.57 1.74 -0.00 -4.41 116.66 106.69 1g72 n ARG 202 Ca 0.01 1.57 -0.34 0.00 -0.77 0.00 0.00 57.85 58.32 1g72 n ARG 202 Cb 0.64 -4.64 -0.10 0.00 -1.02 0.00 0.00 32.46 27.34 1g72 n ARG 202 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1g72 s LEU 203 N -2.60 3.54 0.78 0.55 1.43 -1.18 -0.77 118.68 120.43 1g72 s LEU 203 Ca 0.13 0.03 -0.11 0.00 -1.03 0.00 0.00 54.13 53.15 1g72 s LEU 203 Cb -0.04 -1.85 0.06 0.00 0.03 0.00 0.00 46.19 44.40 1g72 s LEU 203 CO 0.57 0.24 1.08 0.00 0.23 0.00 0.00 176.35 178.47 1g72 s ALA 204 N -0.04 2.21 0.48 4.21 0.00 -0.76 -4.79 121.76 123.07 1g72 s ALA 204 Ca 0.04 0.06 0.13 0.00 0.00 0.00 0.00 51.96 52.19 1g72 s ALA 204 Cb -0.13 -3.20 1.12 0.00 0.00 0.00 0.00 23.12 20.91 1g72 s ALA 204 CO 0.02 -1.75 2.10 0.87 0.00 0.00 0.00 175.76 177.00 1g72 h LYS 205 N -1.11 0.21 -0.84 0.00 1.57 -1.99 -1.89 116.57 112.52 1g72 h LYS 205 Ca -0.46 -0.01 -0.38 0.00 -1.87 0.00 0.00 60.65 57.93 1g72 h LYS 205 Cb 1.24 -0.05 -0.23 0.00 0.08 0.00 0.00 32.23 33.28 1g72 h LYS 205 CO 0.55 0.14 0.45 -0.40 -0.57 0.00 0.00 179.45 179.62 1g72 n ASP 206 N -4.50 3.98 -4.68 0.86 5.75 -1.26 -5.00 116.55 111.70 1g72 n ASP 206 Ca 0.01 -3.49 -0.49 0.00 -0.01 0.00 0.00 54.79 50.81 1g72 n ASP 206 Cb 0.13 -0.79 -0.05 0.00 -1.03 0.00 0.00 41.12 39.38 1g72 n ASP 206 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 1g72 n PHE 207 N -0.82 2.28 -2.70 2.11 7.35 -0.71 -1.76 117.46 123.20 1g72 n PHE 207 Ca 0.51 0.11 -0.19 0.00 -0.76 0.00 0.00 57.45 57.12 1g72 n PHE 207 Cb 1.51 -2.62 0.00 0.00 0.35 0.00 0.00 39.48 38.73 1g72 n PHE 207 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1g72 n ASN 208 N 5.79 -4.95 0.26 -2.13 3.02 -0.71 -4.86 115.26 111.69 1g72 n ASN 208 Ca 0.22 -0.06 0.11 0.00 -0.03 0.00 0.00 54.58 54.81 1g72 n ASN 208 Cb 0.28 -4.10 0.69 0.00 -0.61 0.00 0.00 39.78 36.04 1g72 n ASN 208 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1g72 h SER 209 N -0.46 0.00 1.80 6.41 4.64 -1.59 -1.93 113.55 122.42 1g72 h SER 209 Ca -0.42 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.89 1g72 h SER 209 Cb 1.30 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1g72 h SER 209 CO 0.49 0.12 -0.20 0.00 -0.87 0.00 0.00 176.83 176.37 1g72 h ALA 210 N 1.88 0.90 -1.77 5.18 0.00 -1.85 -3.38 119.26 120.23 1g72 h ALA 210 Ca -0.00 -0.03 -0.50 0.00 0.00 0.00 0.00 54.91 54.38 1g72 h ALA 210 Cb 0.28 -0.00 -0.36 0.00 0.00 0.00 0.00 17.79 17.71 1g72 h ALA 210 CO 0.02 0.03 -1.06 0.09 0.00 0.00 0.00 179.25 178.33 1g72 n ASN 211 N -3.03 0.02 0.21 0.00 3.02 -0.79 -4.97 115.26 109.71 1g72 n ASN 211 Ca 0.03 -2.87 0.18 0.00 -0.03 0.00 0.00 54.58 51.89 1g72 n ASN 211 Cb 0.54 -0.35 0.78 0.00 -0.61 0.00 0.00 39.78 40.15 1g72 n ASN 211 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1g72 h PRO 212 N 3.68 0.00 0.00 3.52 0.13 -1.57 -0.47 132.00 137.28 1g72 h PRO 212 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1g72 h PRO 212 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1g72 h PRO 212 CO 0.45 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 175.83 1g72 n HIS 213 N -3.36 0.06 0.25 1.56 1.44 -1.26 -1.76 115.22 112.14 1g72 n HIS 213 Ca 0.03 0.02 0.15 0.00 -2.01 0.00 0.00 57.72 55.91 1g72 n HIS 213 Cb 0.50 -0.53 0.45 0.00 0.12 0.00 0.00 29.99 30.53 1g72 n HIS 213 CO 0.00 0.00 0.00 1.88 -2.81 0.00 0.00 176.34 175.41 1g72 h TYR 214 N 0.00 0.00 0.00 -1.40 0.99 -1.42 -3.49 116.97 111.65 1g72 h TYR 214 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1g72 h TYR 214 Cb 0.31 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.04 1g72 h TYR 214 CO 0.00 0.02 0.00 0.41 -0.00 0.00 0.00 178.16 178.59 1g72 n GLY 215 N 0.50 2.59 0.00 3.88 0.00 -0.72 -4.80 105.19 106.63 1g72 n GLY 215 Ca 0.02 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.25 1g72 n GLY 215 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1g72 n GLN 216 N 0.99 0.00 -3.63 1.61 6.02 -1.26 -4.85 117.38 116.26 1g72 n GLN 216 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.67 1g72 n GLN 216 Cb 0.00 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.21 1g72 n GLN 216 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1g72 s PHE 217 N 0.47 3.49 0.00 1.08 0.08 -1.26 -4.39 117.98 117.46 1g72 s PHE 217 Ca 0.00 0.64 0.00 0.00 0.12 0.00 0.00 56.93 57.69 1g72 s PHE 217 Cb 0.00 -2.06 0.00 0.00 -0.57 0.00 0.00 43.02 40.39 1g72 s PHE 217 CO 0.00 0.43 0.00 0.41 -0.10 0.00 0.00 175.22 175.96 1g72 n GLY 218 N 0.24 0.73 0.24 4.36 0.00 -1.26 -4.89 105.19 104.60 1g72 n GLY 218 Ca -0.03 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.12 1g72 n GLY 218 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1g72 h LEU 219 N 0.00 0.00 -2.66 0.99 3.38 -1.91 -2.07 115.31 113.04 1g72 h LEU 219 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1g72 h LEU 219 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1g72 h LEU 219 CO 0.00 0.02 0.00 1.23 0.09 0.00 0.00 178.44 179.78 1g72 h GLY 220 N 3.17 0.00 0.00 0.83 0.00 -1.77 -2.79 103.07 102.51 1g72 h GLY 220 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1g72 h GLY 220 CO 0.00 0.00 -0.94 -1.30 0.00 0.00 0.00 176.54 174.30 1g72 n THR 221 N -3.06 0.00 0.20 4.70 -2.24 -1.19 -1.91 114.28 110.78 1g72 n THR 221 Ca -0.02 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.80 1g72 n THR 221 Cb 0.12 -0.86 0.43 0.00 -2.10 0.00 0.00 70.33 67.91 1g72 n THR 221 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1g72 h LYS 222 N 0.00 0.00 -0.88 -0.78 1.57 -1.37 -2.88 116.57 112.22 1g72 h LYS 222 Ca 0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 1g72 h LYS 222 Cb 0.94 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.20 1g72 h LYS 222 CO 0.00 0.30 0.11 0.25 -0.57 0.00 0.00 179.45 179.54 1g72 n THR 223 N -4.06 1.53 -4.19 -0.16 -2.24 -1.06 -4.83 114.28 99.28 1g72 n THR 223 Ca -0.02 -0.72 -0.11 0.00 -2.27 0.00 0.00 64.05 60.92 1g72 n THR 223 Cb 0.36 -0.53 -0.10 0.00 -2.10 0.00 0.00 70.33 67.96 1g72 n THR 223 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1g72 s TRP 224 N -1.69 0.99 -0.22 4.78 0.52 -1.09 -1.56 118.94 120.67 1g72 s TRP 224 Ca 0.25 -1.10 -0.05 0.00 0.02 0.00 0.00 56.10 55.22 1g72 s TRP 224 Cb 0.20 -0.57 -0.02 0.00 -1.15 0.00 0.00 33.47 31.93 1g72 s TRP 224 CO 0.06 -0.34 0.01 -2.00 0.02 0.00 0.00 176.95 174.71 1g72 s GLU 225 N -3.96 3.55 4.79 4.98 2.12 -1.26 -5.00 118.70 123.92 1g72 s GLU 225 Ca 0.21 -0.54 0.00 0.00 0.36 0.00 0.00 54.97 55.00 1g72 s GLU 225 Cb 0.07 -3.13 0.00 0.00 0.26 0.00 0.00 34.13 31.33 1g72 s GLU 225 CO 0.01 -0.11 0.00 0.41 -0.54 0.00 0.00 175.26 175.03 1g72 n GLY 226 N 4.61 1.66 1.57 -1.50 0.00 -1.26 -2.95 105.19 107.32 1g72 n GLY 226 Ca -0.17 -0.60 -0.04 0.00 0.00 0.00 0.00 46.02 45.21 1g72 n GLY 226 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1g72 n ASP 227 N 0.33 3.83 0.24 1.61 8.00 -1.26 -4.46 116.55 124.84 1g72 n ASP 227 Ca 0.00 -2.79 0.12 0.00 0.71 0.00 0.00 54.79 52.83 1g72 n ASP 227 Cb 0.00 -0.66 0.74 0.00 -0.02 0.00 0.00 41.12 41.17 1g72 n ASP 227 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1g72 h ALA 228 N 2.47 1.91 0.00 2.24 0.00 -1.92 -1.61 119.26 122.34 1g72 h ALA 228 Ca 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1g72 h ALA 228 Cb 1.79 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.58 1g72 h ALA 228 CO 0.49 -0.10 0.00 0.11 0.00 0.00 0.00 179.25 179.75 1g72 h TRP 229 N 0.00 0.00 0.00 0.00 5.08 -1.85 -2.64 115.95 116.54 1g72 h TRP 229 Ca 0.04 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 59.99 1g72 h TRP 229 Cb 0.16 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.32 1g72 h TRP 229 CO 0.00 0.00 -0.08 0.87 -1.28 0.00 0.00 178.44 177.95 1g72 h LYS 230 N 0.00 0.00 -0.22 0.12 1.57 -1.65 -2.68 116.57 113.70 1g72 h LYS 230 Ca 0.00 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.57 1g72 h LYS 230 Cb 0.28 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 32.29 1g72 h LYS 230 CO 0.00 0.08 -0.89 0.44 -0.57 0.00 0.00 179.45 178.51 1g72 n ILE 231 N -3.36 1.24 -0.04 1.86 -5.35 -1.01 -4.47 119.36 108.23 1g72 n ILE 231 Ca -0.01 -2.51 0.01 0.00 -0.27 0.00 0.00 62.75 59.96 1g72 n ILE 231 Cb 0.24 0.42 0.19 0.00 -1.74 0.00 0.00 39.64 38.76 1g72 n ILE 231 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1g72 n GLY 232 N -0.35 2.48 7.00 3.28 0.00 -1.01 -4.34 105.19 112.25 1g72 n GLY 232 Ca 0.15 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1g72 n GLY 232 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g72 n GLY 233 N 0.20 2.51 1.23 -0.02 0.00 -1.11 -2.70 105.19 105.30 1g72 n GLY 233 Ca 0.18 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1g72 n GLY 233 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g72 n GLY 234 N 0.00 0.68 3.75 -0.02 0.00 -0.62 0.32 105.19 109.31 1g72 n GLY 234 Ca 0.00 -0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 1g72 n GLY 234 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1g72 n THR 235 N -2.62 3.34 -3.92 2.61 -2.24 -1.26 -2.80 114.28 107.39 1g72 n THR 235 Ca 0.00 -0.50 -0.35 0.00 -2.27 0.00 0.00 64.05 60.93 1g72 n THR 235 Cb 0.00 -1.75 -0.14 0.00 -2.10 0.00 0.00 70.33 66.34 1g72 n THR 235 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1g72 s ASN 236 N -0.70 4.86 -0.07 3.42 4.22 -1.26 0.15 114.94 125.57 1g72 s ASN 236 Ca 0.67 -1.26 0.10 0.00 -2.14 0.00 0.00 52.86 50.22 1g72 s ASN 236 Cb -0.43 -1.70 0.15 0.00 1.28 0.00 0.00 41.25 40.54 1g72 s ASN 236 CO 0.53 -0.25 1.03 -2.67 -2.04 0.00 0.00 177.10 173.70 1g72 n TRP 237 N 4.62 0.00 0.00 1.54 4.27 -1.26 -4.31 117.44 122.30 1g72 n TRP 237 Ca -0.13 -0.59 0.00 0.00 -3.89 0.00 0.00 57.50 52.89 1g72 n TRP 237 Cb 0.43 -0.10 0.00 0.00 -1.36 0.00 0.00 31.31 30.29 1g72 n TRP 237 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1g72 n GLY 238 N -0.81 0.61 3.41 -1.67 0.00 -1.25 -4.38 105.19 101.09 1g72 n GLY 238 Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 1g72 n GLY 238 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1g72 s TRP 239 N 2.66 1.92 0.44 1.61 0.52 -1.19 -4.61 118.94 120.30 1g72 s TRP 239 Ca 0.00 -0.60 0.06 0.00 0.02 0.00 0.00 56.10 55.58 1g72 s TRP 239 Cb 0.00 -0.99 -0.05 0.00 -1.15 0.00 0.00 33.47 31.28 1g72 s TRP 239 CO 0.00 0.38 0.11 0.71 0.02 0.00 0.00 176.95 178.17 1g72 s TYR 240 N -2.92 2.35 0.04 -1.98 2.02 -1.26 -4.53 117.35 111.08 1g72 s TYR 240 Ca 0.27 -0.70 -0.12 0.00 -0.37 0.00 0.00 57.07 56.15 1g72 s TYR 240 Cb 0.01 -1.84 0.01 0.00 -0.40 0.00 0.00 41.96 39.75 1g72 s TYR 240 CO 0.11 0.22 0.26 0.00 -1.57 0.00 0.00 175.55 174.56 1g72 s ALA 241 N -2.70 -0.54 -0.11 3.71 0.00 -0.82 -4.71 121.76 116.59 1g72 s ALA 241 Ca 0.32 -0.13 -0.09 0.00 0.00 0.00 0.00 51.96 52.06 1g72 s ALA 241 Cb 0.05 0.31 0.03 0.00 0.00 0.00 0.00 23.12 23.51 1g72 s ALA 241 CO 0.17 -0.40 0.28 -0.47 0.00 0.00 0.00 175.76 175.35 1g72 s TYR 242 N -2.60 -0.33 -0.36 0.00 5.04 0.10 -0.51 117.35 118.68 1g72 s TYR 242 Ca -0.05 0.80 -0.03 0.00 -2.44 0.00 0.00 57.07 55.35 1g72 s TYR 242 Cb -0.01 0.11 0.08 0.00 0.35 0.00 0.00 41.96 42.49 1g72 s TYR 242 CO -0.04 -0.18 0.13 0.34 -1.34 0.00 0.00 175.55 174.46 1g72 s ASP 243 N 0.45 5.16 0.23 4.32 -1.08 -0.59 -4.01 116.67 121.14 1g72 s ASP 243 Ca -0.02 -1.66 -0.05 0.00 -0.52 0.00 0.00 52.55 50.29 1g72 s ASP 243 Cb -0.04 -1.80 0.39 0.00 -1.46 0.00 0.00 42.92 40.01 1g72 s ASP 243 CO -0.02 -0.42 1.76 -0.65 0.52 0.00 0.00 175.17 176.35 1g72 h PRO 244 N 8.06 0.54 -0.08 4.34 0.11 -1.97 0.31 132.00 143.31 1g72 h PRO 244 Ca -0.17 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.92 1g72 h PRO 244 Cb 1.06 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 1g72 h PRO 244 CO 0.63 0.35 -0.01 -0.22 -0.21 0.00 0.00 178.00 178.55 1g72 h LYS 245 N 0.55 0.01 0.00 1.05 3.64 -1.97 -2.85 116.57 117.00 1g72 h LYS 245 Ca 0.38 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 1g72 h LYS 245 Cb 0.48 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1g72 h LYS 245 CO -0.32 0.01 -0.29 1.28 -2.27 0.00 0.00 179.45 177.86 1g72 n LEU 246 N -5.12 0.74 -3.26 5.20 4.77 -1.05 -4.94 117.00 113.34 1g72 n LEU 246 Ca -0.05 0.41 -0.23 0.00 -0.03 0.00 0.00 56.01 56.10 1g72 n LEU 246 Cb 0.06 -0.26 0.04 0.00 -2.33 0.00 0.00 43.42 40.94 1g72 n LEU 246 CO 0.30 -0.12 0.07 -3.20 -1.33 0.00 0.00 177.39 173.11 1g72 n ASN 247 N -2.17 -5.97 -4.40 -1.43 5.15 0.11 -4.97 115.26 101.58 1g72 n ASN 247 Ca 0.05 -0.39 -0.32 0.00 -0.60 0.00 0.00 54.58 53.31 1g72 n ASN 247 Cb 0.43 -4.79 -0.14 0.00 -0.53 0.00 0.00 39.78 34.75 1g72 n ASN 247 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1g72 s LEU 248 N -6.89 2.42 0.11 1.20 1.43 -1.17 -1.92 118.68 113.87 1g72 s LEU 248 Ca 0.41 -0.33 0.08 0.00 -1.03 0.00 0.00 54.13 53.26 1g72 s LEU 248 Cb -0.19 -1.46 -0.04 0.00 0.03 0.00 0.00 46.19 44.54 1g72 s LEU 248 CO 0.51 0.33 -0.11 0.72 0.23 0.00 0.00 176.35 178.02 1g72 s PHE 249 N -0.65 2.69 0.08 0.29 -0.12 0.30 -1.54 117.98 119.03 1g72 s PHE 249 Ca 0.10 -0.18 0.08 0.00 -0.05 0.00 0.00 56.93 56.88 1g72 s PHE 249 Cb -0.11 -1.40 -0.03 0.00 -0.63 0.00 0.00 43.02 40.85 1g72 s PHE 249 CO -0.00 0.43 -0.20 0.71 -0.05 0.00 0.00 175.22 176.11 1g72 s TYR 250 N -1.25 1.75 0.11 3.49 1.51 0.33 -1.74 117.35 121.55 1g72 s TYR 250 Ca 0.21 -0.40 -0.26 0.00 -1.01 0.00 0.00 57.07 55.61 1g72 s TYR 250 Cb -0.11 -0.99 0.08 0.00 -0.11 0.00 0.00 41.96 40.83 1g72 s TYR 250 CO 0.13 0.16 1.04 1.52 -1.11 0.00 0.00 175.55 177.29 1g72 s TYR 251 N -1.04 -0.11 -0.01 2.71 -0.85 -1.21 -1.94 117.35 114.90 1g72 s TYR 251 Ca 0.06 -0.15 0.08 0.00 -0.52 0.00 0.00 57.07 56.54 1g72 s TYR 251 Cb -0.10 0.62 -0.02 0.00 0.38 0.00 0.00 41.96 42.84 1g72 s TYR 251 CO 0.03 -0.70 -0.24 0.20 -1.52 0.00 0.00 175.55 173.32 1g72 s GLY 252 N -2.95 1.33 0.22 5.49 0.00 -1.26 -0.90 107.32 109.25 1g72 s GLY 252 Ca 0.13 -1.12 -0.14 0.00 0.00 0.00 0.00 44.72 43.59 1g72 s GLY 252 CO 0.01 -0.94 0.62 -1.35 0.00 0.00 0.00 173.10 171.44 1g72 s SER 253 N -0.72 6.79 0.46 1.64 1.04 -0.34 -4.20 113.70 118.38 1g72 s SER 253 Ca 0.11 1.13 0.00 0.00 0.48 0.00 0.00 55.95 57.67 1g72 s SER 253 Cb -0.10 -2.31 0.00 0.00 0.10 0.00 0.00 66.02 63.71 1g72 s SER 253 CO -0.00 -0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.80 1g72 n GLY 254 N 0.27 -1.57 3.80 7.32 0.00 0.12 -2.11 105.19 113.02 1g72 n GLY 254 Ca -0.01 -1.54 -0.34 0.00 0.00 0.00 0.00 46.02 44.13 1g72 n GLY 254 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g72 s ASN 255 N -1.24 6.34 0.58 1.61 4.22 -1.26 -0.76 114.94 124.42 1g72 s ASN 255 Ca 0.00 1.86 -0.13 0.00 -2.14 0.00 0.00 52.86 52.45 1g72 s ASN 255 Cb 0.00 -2.55 -0.05 0.00 1.28 0.00 0.00 41.25 39.93 1g72 s ASN 255 CO 0.00 -0.78 1.01 -2.16 -2.04 0.00 0.00 177.10 173.13 1g72 s PRO 256 N -3.42 3.71 0.09 3.55 0.04 -1.26 -1.58 135.00 136.12 1g72 s PRO 256 Ca 0.65 0.85 0.08 0.00 0.04 0.00 0.00 61.00 62.62 1g72 s PRO 256 Cb -0.15 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 1g72 s PRO 256 CO 0.23 -0.48 -0.16 0.00 0.04 0.00 0.00 177.00 176.63 1g72 s ALA 257 N -2.94 2.72 0.81 8.56 0.00 -1.10 -4.49 121.76 125.32 1g72 s ALA 257 Ca 0.57 -1.28 -0.04 0.00 0.00 0.00 0.00 51.96 51.21 1g72 s ALA 257 Cb -0.11 -0.74 0.09 0.00 0.00 0.00 0.00 23.12 22.36 1g72 s ALA 257 CO 0.45 0.60 0.56 -0.35 0.00 0.00 0.00 175.76 177.01 1g72 n PRO 258 N 1.02 -0.23 0.16 0.00 -0.04 -1.26 -4.52 135.00 130.13 1g72 n PRO 258 Ca -0.15 -1.10 0.01 0.00 -0.04 0.00 0.00 63.50 62.22 1g72 n PRO 258 Cb 0.52 -0.50 0.31 0.00 -0.04 0.00 0.00 33.50 33.79 1g72 n PRO 258 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1g72 h TRP 259 N -0.99 0.05 -1.77 0.54 4.06 -1.24 -3.40 115.95 113.19 1g72 h TRP 259 Ca -0.18 -0.01 -0.48 0.00 2.06 0.00 0.00 58.89 60.27 1g72 h TRP 259 Cb 0.56 -0.01 -0.00 0.00 -1.00 0.00 0.00 29.16 28.71 1g72 h TRP 259 CO 0.00 0.45 1.54 1.21 -3.56 0.00 0.00 178.44 178.08 1g72 s ASN 260 N -6.91 4.77 0.47 -3.49 3.84 -1.20 -4.82 114.94 107.60 1g72 s ASN 260 Ca -0.03 0.96 0.18 0.00 0.21 0.00 0.00 52.86 54.18 1g72 s ASN 260 Cb 0.14 -2.51 1.15 0.00 -0.55 0.00 0.00 41.25 39.48 1g72 s ASN 260 CO 0.74 -2.65 2.02 1.05 -2.79 0.00 0.00 177.10 175.47 1g72 h GLU 261 N 17.87 0.00 0.00 0.43 -0.00 -1.85 -2.66 114.58 128.37 1g72 h GLU 261 Ca -0.26 0.00 -0.04 0.00 -0.00 0.00 0.00 59.36 59.06 1g72 h GLU 261 Cb 1.24 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.98 1g72 h GLU 261 CO 1.16 0.16 -0.19 1.15 -0.00 0.00 0.00 179.01 181.29 1g72 h THR 262 N 0.00 0.64 -0.00 -1.06 2.02 -1.90 -2.73 112.91 109.88 1g72 h THR 262 Ca -0.00 -0.84 0.00 0.00 0.77 0.00 0.00 66.41 66.34 1g72 h THR 262 Cb 0.31 1.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.26 1g72 h THR 262 CO 0.02 0.19 -0.00 0.23 0.37 0.00 0.00 175.52 176.32 1g72 n MET 263 N -3.59 0.97 -3.01 6.66 2.81 -1.00 -4.37 117.12 115.59 1g72 n MET 263 Ca -0.01 -0.09 -0.17 0.00 -1.81 0.00 0.00 57.70 55.63 1g72 n MET 263 Cb 0.33 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.32 1g72 n MET 263 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 1g72 n ARG 264 N -0.94 0.65 -1.79 0.03 1.85 -1.03 -4.96 116.66 110.48 1g72 n ARG 264 Ca 0.22 -2.56 -0.37 0.00 -1.00 0.00 0.00 57.85 54.14 1g72 n ARG 264 Cb 0.15 -1.39 0.05 0.00 -1.05 0.00 0.00 32.46 30.23 1g72 n ARG 264 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1g72 s PRO 265 N -0.14 2.81 0.00 2.89 0.04 -1.26 -4.87 135.00 134.47 1g72 s PRO 265 Ca 0.33 2.10 0.00 0.00 0.04 0.00 0.00 61.00 63.47 1g72 s PRO 265 Cb 0.16 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.70 1g72 s PRO 265 CO -0.16 -1.41 0.00 0.41 0.04 0.00 0.00 177.00 175.88 1g72 n GLY 266 N 0.79 3.00 0.18 0.56 0.00 -1.26 -4.05 105.19 104.40 1g72 n GLY 266 Ca 0.14 -2.01 0.13 0.00 0.00 0.00 0.00 46.02 44.28 1g72 n GLY 266 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1g72 h ASP 267 N 0.00 0.00 -6.05 1.61 3.45 -1.87 -3.35 116.42 110.21 1g72 h ASP 267 Ca 0.00 0.00 -0.43 0.00 0.43 0.00 0.00 57.03 57.03 1g72 h ASP 267 Cb 0.00 0.00 0.06 0.00 -0.56 0.00 0.00 39.33 38.83 1g72 h ASP 267 CO 0.00 0.00 -0.72 0.59 -1.57 0.00 0.00 179.24 177.54 1g72 n ASN 268 N -2.40 -5.39 -4.79 6.45 3.02 -0.60 -1.07 115.26 110.48 1g72 n ASN 268 Ca 0.00 -0.66 -0.34 0.00 -0.03 0.00 0.00 54.58 53.55 1g72 n ASN 268 Cb 0.14 -4.50 -0.02 0.00 -0.61 0.00 0.00 39.78 34.79 1g72 n ASN 268 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1g72 s LYS 269 N -6.41 3.63 -0.76 3.52 1.02 -1.26 -2.18 119.74 117.29 1g72 s LYS 269 Ca 0.58 1.43 0.01 0.00 0.02 0.00 0.00 55.97 58.01 1g72 s LYS 269 Cb -0.28 -2.06 0.35 0.00 -0.52 0.00 0.00 37.83 35.33 1g72 s LYS 269 CO 0.78 -0.59 1.56 0.91 -0.92 0.00 0.00 175.35 177.09 1g72 n TRP 270 N -1.14 3.23 -1.83 3.18 7.02 0.11 -4.41 117.44 123.61 1g72 n TRP 270 Ca 0.10 -2.90 -0.31 0.00 -1.02 0.00 0.00 57.50 53.37 1g72 n TRP 270 Cb 0.52 -0.82 0.03 0.00 -2.42 0.00 0.00 31.31 28.62 1g72 n TRP 270 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1g72 s THR 271 N -4.83 4.11 -1.46 -0.99 -4.23 -0.93 -3.93 115.64 103.39 1g72 s THR 271 Ca 0.47 0.69 -0.09 0.00 -1.18 0.00 0.00 61.69 61.58 1g72 s THR 271 Cb 0.32 -3.64 0.04 0.00 1.34 0.00 0.00 72.50 70.56 1g72 s THR 271 CO -0.23 -0.90 0.83 0.23 -0.54 0.00 0.00 174.62 174.01 1g72 n MET 272 N -2.92 -5.62 -4.87 3.99 2.81 0.06 -4.79 117.12 105.78 1g72 n MET 272 Ca 0.07 0.75 -0.32 0.00 -1.81 0.00 0.00 57.70 56.38 1g72 n MET 272 Cb 0.55 -5.65 -0.13 0.00 -0.71 0.00 0.00 33.22 27.28 1g72 n MET 272 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1g72 s THR 273 N -3.20 2.83 -0.24 2.03 2.01 -1.22 -0.66 115.64 117.17 1g72 s THR 273 Ca 0.48 -0.94 -0.19 0.00 0.31 0.00 0.00 61.69 61.35 1g72 s THR 273 Cb -0.23 -2.12 -0.03 0.00 0.01 0.00 0.00 72.50 70.14 1g72 s THR 273 CO 0.59 0.50 0.56 -0.63 -0.69 0.00 0.00 174.62 174.96 1g72 s ILE 274 N -0.78 5.04 0.12 1.82 1.01 0.01 -1.20 121.20 127.22 1g72 s ILE 274 Ca 0.12 1.00 0.05 0.00 0.00 0.00 0.00 60.65 61.82 1g72 s ILE 274 Cb -0.10 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.45 1g72 s ILE 274 CO 0.02 0.08 0.06 0.26 0.00 0.00 0.00 174.94 175.37 1g72 s TRP 275 N 2.23 3.08 -0.34 3.97 0.52 -0.08 -1.38 118.94 126.94 1g72 s TRP 275 Ca 0.24 -0.01 -0.00 0.00 0.02 0.00 0.00 56.10 56.35 1g72 s TRP 275 Cb -0.16 -1.53 0.11 0.00 -1.15 0.00 0.00 33.47 30.75 1g72 s TRP 275 CO 0.09 0.51 0.15 0.20 0.02 0.00 0.00 176.95 177.92 1g72 s GLY 276 N -2.65 1.12 0.16 0.98 0.00 -0.69 -3.33 107.32 102.90 1g72 s GLY 276 Ca 0.29 -1.85 0.08 0.00 0.00 0.00 0.00 44.72 43.24 1g72 s GLY 276 CO 0.21 1.72 -0.10 0.50 0.00 0.00 0.00 173.10 175.43 1g72 s ARG 277 N 1.29 2.05 -0.02 2.90 0.52 -0.71 0.02 118.95 125.01 1g72 s ARG 277 Ca 0.13 -1.20 -0.30 0.00 -0.52 0.00 0.00 55.73 53.83 1g72 s ARG 277 Cb -0.20 -2.19 -0.03 0.00 0.52 0.00 0.00 34.95 33.05 1g72 s ARG 277 CO -0.17 0.45 1.08 0.34 0.02 0.00 0.00 175.30 177.03 1g72 s ASP 278 N -2.63 7.22 0.21 0.23 -1.08 -0.43 -0.54 116.67 119.64 1g72 s ASP 278 Ca 0.23 1.74 -0.10 0.00 -0.52 0.00 0.00 52.55 53.91 1g72 s ASP 278 Cb -0.09 -2.57 0.18 0.00 -1.46 0.00 0.00 42.92 38.98 1g72 s ASP 278 CO 0.14 -0.41 1.87 0.25 0.52 0.00 0.00 175.17 177.55 1g72 h LEU 279 N 7.33 0.84 -0.29 -1.34 5.85 -1.73 0.68 115.31 126.64 1g72 h LEU 279 Ca -0.38 -0.02 -0.17 0.00 0.84 0.00 0.00 57.88 58.15 1g72 h LEU 279 Cb 1.19 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 42.02 1g72 h LEU 279 CO 0.81 0.60 -0.50 0.44 -0.34 0.00 0.00 178.44 179.45 1g72 h ASP 280 N 0.99 0.94 0.00 1.25 3.32 -1.93 -3.36 116.42 117.64 1g72 h ASP 280 Ca 0.29 -0.52 -0.04 0.00 0.02 0.00 0.00 57.03 56.77 1g72 h ASP 280 Cb -0.07 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.20 1g72 h ASP 280 CO -0.08 1.29 -1.81 0.35 -1.72 0.00 0.00 179.24 177.27 1g72 n THR 281 N -4.06 0.17 -0.91 0.35 -2.24 -1.21 -4.99 114.28 101.39 1g72 n THR 281 Ca -0.04 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 1g72 n THR 281 Cb 0.60 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 1g72 n THR 281 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1g72 n GLY 282 N 1.63 1.10 3.72 3.38 0.00 0.24 -4.97 105.19 110.28 1g72 n GLY 282 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 1g72 n GLY 282 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1g72 s MET 283 N -0.03 4.32 0.04 1.61 -1.94 -1.25 -4.59 119.30 117.47 1g72 s MET 283 Ca 0.00 2.07 -0.30 0.00 -1.71 0.00 0.00 55.69 55.74 1g72 s MET 283 Cb 0.00 -3.25 -0.05 0.00 2.01 0.00 0.00 34.83 33.54 1g72 s MET 283 CO 0.00 -0.43 1.15 0.00 -0.01 0.00 0.00 175.02 175.73 1g72 s ALA 284 N 1.09 3.34 -0.04 3.03 0.00 0.05 -1.31 121.76 127.91 1g72 s ALA 284 Ca 0.64 0.77 0.07 0.00 0.00 0.00 0.00 51.96 53.44 1g72 s ALA 284 Cb -0.37 -3.42 -0.24 0.00 0.00 0.00 0.00 23.12 19.09 1g72 s ALA 284 CO 0.30 -0.40 0.69 -0.22 0.00 0.00 0.00 175.76 176.14 1g72 h LYS 285 N 6.82 0.08 -2.82 0.00 3.64 -0.76 -2.01 116.57 121.53 1g72 h LYS 285 Ca -0.41 -0.14 -0.04 0.00 -1.27 0.00 0.00 60.65 58.79 1g72 h LYS 285 Cb 1.21 0.05 -0.14 0.00 -0.41 0.00 0.00 32.23 32.94 1g72 h LYS 285 CO 0.80 0.75 0.12 1.67 -2.27 0.00 0.00 179.45 180.52 1g72 s TRP 286 N -2.60 -0.48 -0.24 1.91 1.48 -1.15 -1.73 118.94 116.12 1g72 s TRP 286 Ca -0.08 0.45 -0.12 0.00 -1.06 0.00 0.00 56.10 55.29 1g72 s TRP 286 Cb 0.08 0.43 0.08 0.00 -1.16 0.00 0.00 33.47 32.91 1g72 s TRP 286 CO 0.82 -0.73 0.56 0.20 -4.06 0.00 0.00 176.95 173.74 1g72 s GLY 287 N -2.27 -0.52 -0.24 3.67 0.00 -1.26 -1.71 107.32 104.99 1g72 s GLY 287 Ca -0.03 2.02 -0.01 0.00 0.00 0.00 0.00 44.72 46.71 1g72 s GLY 287 CO -0.06 2.32 -0.09 -0.47 0.00 0.00 0.00 173.10 174.80 1g72 s TYR 288 N 1.93 3.03 -0.38 1.90 5.04 -0.48 -4.90 117.35 123.50 1g72 s TYR 288 Ca -0.08 -1.60 -0.27 0.00 -2.44 0.00 0.00 57.07 52.68 1g72 s TYR 288 Cb -0.08 -2.03 0.02 0.00 0.35 0.00 0.00 41.96 40.22 1g72 s TYR 288 CO -0.17 -0.74 0.99 -1.14 -1.34 0.00 0.00 175.55 173.15 1g72 s GLN 289 N 1.31 3.86 -0.01 4.97 0.74 -1.26 -0.81 119.66 128.46 1g72 s GLN 289 Ca 0.01 0.68 -0.23 0.00 0.05 0.00 0.00 55.36 55.86 1g72 s GLN 289 Cb -0.16 -3.81 -0.19 0.00 1.10 0.00 0.00 33.01 29.95 1g72 s GLN 289 CO -0.06 -1.01 1.20 0.87 -0.55 0.00 0.00 175.29 175.74 1g72 h LYS 290 N 8.52 0.19 -3.32 1.67 1.57 -1.20 -3.41 116.57 120.60 1g72 h LYS 290 Ca -0.23 -0.13 -0.64 0.00 -1.87 0.00 0.00 60.65 57.78 1g72 h LYS 290 Cb 1.07 0.02 -0.41 0.00 0.08 0.00 0.00 32.23 32.99 1g72 h LYS 290 CO 1.02 0.74 -0.64 0.99 -0.57 0.00 0.00 179.45 180.99 1g72 s THR 291 N -3.84 2.48 0.41 -0.16 2.01 -1.25 -4.64 115.64 110.65 1g72 s THR 291 Ca -0.15 -3.30 -0.26 0.00 0.31 0.00 0.00 61.69 58.29 1g72 s THR 291 Cb 0.03 -2.72 -0.09 0.00 0.01 0.00 0.00 72.50 69.73 1g72 s THR 291 CO 0.73 -0.82 1.32 -2.84 -0.69 0.00 0.00 174.62 172.31 1g72 s PRO 292 N -0.29 3.95 -0.78 4.92 0.02 -1.26 -3.65 135.00 137.89 1g72 s PRO 292 Ca 0.18 2.19 -0.03 0.00 0.02 0.00 0.00 61.00 63.35 1g72 s PRO 292 Cb -0.25 -2.75 0.00 0.00 0.02 0.00 0.00 34.50 31.52 1g72 s PRO 292 CO -0.01 -0.52 0.62 1.58 -0.33 0.00 0.00 177.00 178.34 1g72 n HIS 293 N 0.11 -2.20 -1.73 6.54 -0.00 -0.24 -4.82 115.22 112.89 1g72 n HIS 293 Ca 0.04 0.90 -0.42 0.00 -0.00 0.00 0.00 57.72 58.23 1g72 n HIS 293 Cb 0.43 -2.84 -0.01 0.00 -0.00 0.00 0.00 29.99 27.58 1g72 n HIS 293 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 1g72 n ASP 294 N -2.33 3.32 0.00 0.26 2.03 -1.24 -4.91 116.55 113.69 1g72 n ASP 294 Ca -0.27 1.20 0.00 0.00 0.52 0.00 0.00 54.79 56.24 1g72 n ASP 294 Cb 0.67 -1.55 0.00 0.00 -0.72 0.00 0.00 41.12 39.53 1g72 n ASP 294 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1g72 n GLU 295 N 0.92 1.03 0.00 -0.67 1.02 -1.26 -4.74 120.64 116.95 1g72 n GLU 295 Ca 0.05 -0.83 0.00 0.00 -0.02 0.00 0.00 57.16 56.36 1g72 n GLU 295 Cb 0.37 -0.76 0.00 0.00 -0.02 0.00 0.00 31.44 31.03 1g72 n GLU 295 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 1g72 n TRP 296 N -0.19 0.00 -3.36 -0.32 8.01 -1.26 -4.53 117.44 115.78 1g72 n TRP 296 Ca 0.00 -0.07 -0.16 0.00 -1.31 0.00 0.00 57.50 55.96 1g72 n TRP 296 Cb 0.31 -0.01 0.09 0.00 -2.01 0.00 0.00 31.31 29.68 1g72 n TRP 296 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 1g72 n ASP 297 N -0.07 -2.42 -2.67 -0.99 2.03 -1.26 -4.00 116.55 107.17 1g72 n ASP 297 Ca 0.00 -0.61 -0.29 0.00 0.52 0.00 0.00 54.79 54.41 1g72 n ASP 297 Cb 0.41 -4.97 -0.05 0.00 -0.72 0.00 0.00 41.12 35.79 1g72 n ASP 297 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1g72 n PHE 298 N -3.95 1.78 -1.15 -0.67 0.99 -1.26 -4.75 117.46 108.45 1g72 n PHE 298 Ca -0.26 -2.09 -0.50 0.00 -0.00 0.00 0.00 57.45 54.59 1g72 n PHE 298 Cb 0.66 -1.45 -0.09 0.00 -1.00 0.00 0.00 39.48 37.60 1g72 n PHE 298 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1g72 n ALA 299 N 1.00 -0.29 -1.01 4.37 0.00 -1.26 -4.57 120.51 118.75 1g72 n ALA 299 Ca 0.51 0.24 -0.15 0.00 0.00 0.00 0.00 53.44 54.04 1g72 n ALA 299 Cb 0.50 -1.62 -0.04 0.00 0.00 0.00 0.00 19.45 18.29 1g72 n ALA 299 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1g72 n GLY 300 N 4.97 3.65 0.90 0.00 0.00 -1.22 -4.47 105.19 109.03 1g72 n GLY 300 Ca 0.37 -1.13 0.11 0.00 0.00 0.00 0.00 46.02 45.37 1g72 n GLY 300 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1g72 n VAL 301 N 1.14 0.34 -0.71 1.61 0.24 -1.26 -3.71 118.33 115.97 1g72 n VAL 301 Ca 0.32 -0.56 -0.32 0.00 -2.04 0.00 0.00 64.34 61.74 1g72 n VAL 301 Cb 0.62 0.79 0.16 0.00 -1.47 0.00 0.00 33.84 33.94 1g72 n VAL 301 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1g72 n ASN 302 N 1.02 -0.99 -4.55 -1.34 5.03 -1.26 -3.17 115.26 110.00 1g72 n ASN 302 Ca 0.18 0.31 -0.44 0.00 0.87 0.00 0.00 54.58 55.50 1g72 n ASN 302 Cb 0.50 -1.32 -0.01 0.00 -1.02 0.00 0.00 39.78 37.93 1g72 n ASN 302 CO 0.00 0.00 0.00 1.67 -1.83 0.00 0.00 177.26 177.10 1g72 n GLN 303 N -3.10 1.10 -4.21 3.52 7.27 -1.26 -4.59 117.38 116.10 1g72 n GLN 303 Ca 0.09 0.39 -0.34 0.00 0.07 0.00 0.00 57.00 57.20 1g72 n GLN 303 Cb 0.53 -1.73 -0.12 0.00 2.41 0.00 0.00 30.24 31.33 1g72 n GLN 303 CO 0.00 0.00 0.00 -1.64 0.07 0.00 0.00 177.06 175.49 1g72 s MET 304 N -1.56 3.62 -0.20 3.69 -1.94 -1.26 -4.38 119.30 117.27 1g72 s MET 304 Ca 0.60 -0.53 -0.01 0.00 -1.71 0.00 0.00 55.69 54.04 1g72 s MET 304 Cb -0.69 -3.00 0.01 0.00 2.01 0.00 0.00 34.83 33.16 1g72 s MET 304 CO 0.59 0.10 -0.14 0.08 -0.01 0.00 0.00 175.02 175.64 1g72 s VAL 305 N 0.76 2.59 -0.21 -6.03 1.01 0.04 -4.65 120.40 113.91 1g72 s VAL 305 Ca -0.01 -0.77 -0.11 0.00 0.00 0.00 0.00 61.98 61.09 1g72 s VAL 305 Cb -0.14 -2.14 -0.05 0.00 0.00 0.00 0.00 36.38 34.05 1g72 s VAL 305 CO 0.02 0.49 0.19 -0.76 0.00 0.00 0.00 175.10 175.04 1g72 s LEU 306 N 1.36 4.18 0.10 3.92 1.43 -0.62 -0.01 118.68 129.04 1g72 s LEU 306 Ca 0.05 0.26 -0.03 0.00 -1.03 0.00 0.00 54.13 53.38 1g72 s LEU 306 Cb -0.14 -2.18 -0.03 0.00 0.03 0.00 0.00 46.19 43.87 1g72 s LEU 306 CO -0.09 0.10 0.06 0.42 0.23 0.00 0.00 176.35 177.07 1g72 s THR 307 N 0.72 0.15 -0.28 5.49 -4.23 -0.94 -4.80 115.64 111.75 1g72 s THR 307 Ca 0.10 -1.74 0.03 0.00 -1.18 0.00 0.00 61.69 58.90 1g72 s THR 307 Cb -0.13 -1.76 0.07 0.00 1.34 0.00 0.00 72.50 72.02 1g72 s THR 307 CO 0.02 -0.66 -0.07 -1.81 -0.54 0.00 0.00 174.62 171.56 1g72 s ASP 308 N -2.97 4.47 0.09 3.99 -0.00 -1.26 -0.23 116.67 120.75 1g72 s ASP 308 Ca 0.15 -1.55 0.02 0.00 -0.00 0.00 0.00 52.55 51.16 1g72 s ASP 308 Cb 0.07 -1.53 -0.04 0.00 -0.00 0.00 0.00 42.92 41.42 1g72 s ASP 308 CO -0.04 -0.24 -0.06 -1.10 -0.00 0.00 0.00 175.17 173.73 1g72 s GLN 309 N 1.08 0.80 -0.02 8.23 -0.21 -1.01 -4.89 119.66 123.65 1g72 s GLN 309 Ca -0.04 -1.28 -0.30 0.00 0.02 0.00 0.00 55.36 53.75 1g72 s GLN 309 Cb -0.20 -0.19 -0.04 0.00 1.00 0.00 0.00 33.01 33.58 1g72 s GLN 309 CO -0.06 -0.02 1.25 -1.25 -2.12 0.00 0.00 175.29 173.09 1g72 s PRO 310 N -3.66 4.35 -0.34 2.91 0.04 -1.26 -0.77 135.00 136.27 1g72 s PRO 310 Ca 0.10 1.77 0.01 0.00 0.04 0.00 0.00 61.00 62.92 1g72 s PRO 310 Cb 0.04 -3.51 0.09 0.00 0.04 0.00 0.00 34.50 31.16 1g72 s PRO 310 CO -0.05 -0.44 0.06 0.08 0.04 0.00 0.00 177.00 176.70 1g72 s VAL 311 N 1.99 2.60 -0.67 -0.36 1.01 0.20 -4.58 120.40 120.61 1g72 s VAL 311 Ca 0.58 -2.06 -0.03 0.00 0.00 0.00 0.00 61.98 60.47 1g72 s VAL 311 Cb -0.27 -2.78 0.00 0.00 0.00 0.00 0.00 36.38 33.33 1g72 s VAL 311 CO 0.25 -0.48 0.57 0.59 0.00 0.00 0.00 175.10 176.03 1g72 n ASN 312 N 4.41 -3.47 0.00 3.32 5.03 -1.26 -2.66 115.26 120.62 1g72 n ASN 312 Ca -0.02 -0.29 0.00 0.00 0.87 0.00 0.00 54.58 55.14 1g72 n ASN 312 Cb 0.42 -2.84 0.00 0.00 -1.02 0.00 0.00 39.78 36.34 1g72 n ASN 312 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1g72 n GLY 313 N -1.20 1.27 3.39 7.41 0.00 -1.26 -4.98 105.19 109.81 1g72 n GLY 313 Ca -0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 1g72 n GLY 313 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1g72 s LYS 314 N -0.16 3.52 0.12 1.61 2.20 -1.09 -4.99 119.74 120.95 1g72 s LYS 314 Ca 0.00 -0.56 -0.32 0.00 -0.36 0.00 0.00 55.97 54.73 1g72 s LYS 314 Cb 0.00 -3.10 -0.11 0.00 -1.51 0.00 0.00 37.83 33.11 1g72 s LYS 314 CO 0.00 -0.12 1.81 -0.12 -0.36 0.00 0.00 175.35 176.55 1g72 n MET 315 N 4.64 2.68 -4.32 4.03 0.00 -1.26 0.63 117.12 123.51 1g72 n MET 315 Ca -0.17 0.97 -0.18 0.00 -0.00 0.00 0.00 57.70 58.32 1g72 n MET 315 Cb 0.51 -2.85 -0.14 0.00 0.00 0.00 0.00 33.22 30.74 1g72 n MET 315 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 1g72 s THR 316 N 2.50 0.71 -0.52 1.12 2.01 0.05 -4.86 115.64 116.64 1g72 s THR 316 Ca 0.82 -0.49 -0.29 0.00 0.31 0.00 0.00 61.69 62.04 1g72 s THR 316 Cb -0.52 -0.61 0.03 0.00 0.01 0.00 0.00 72.50 71.40 1g72 s THR 316 CO 0.38 0.12 1.21 -2.16 -0.69 0.00 0.00 174.62 173.49 1g72 s PRO 317 N -0.41 3.58 0.35 4.92 0.04 -1.26 -2.39 135.00 139.82 1g72 s PRO 317 Ca 0.02 0.45 0.08 0.00 0.04 0.00 0.00 61.00 61.59 1g72 s PRO 317 Cb -0.04 -3.98 -0.03 0.00 0.04 0.00 0.00 34.50 30.48 1g72 s PRO 317 CO -0.00 -1.58 0.27 -0.51 0.04 0.00 0.00 177.00 175.22 1g72 s LEU 318 N 4.91 3.49 -0.03 -3.56 1.43 0.68 -1.56 118.68 124.04 1g72 s LEU 318 Ca 0.47 -0.60 -0.01 0.00 -1.03 0.00 0.00 54.13 52.96 1g72 s LEU 318 Cb -0.08 -2.08 0.03 0.00 0.03 0.00 0.00 46.19 44.09 1g72 s LEU 318 CO 0.29 -0.39 0.05 -0.22 0.23 0.00 0.00 176.35 176.30 1g72 s LEU 319 N -3.98 0.54 0.07 1.79 0.20 -0.07 -2.22 118.68 115.01 1g72 s LEU 319 Ca 0.41 0.06 0.09 0.00 0.69 0.00 0.00 54.13 55.39 1g72 s LEU 319 Cb -0.05 -0.11 -0.03 0.00 -0.43 0.00 0.00 46.19 45.57 1g72 s LEU 319 CO 0.26 -0.20 -0.23 -0.44 -0.29 0.00 0.00 176.35 175.45 1g72 s SER 320 N 1.70 3.46 -0.22 3.68 0.01 0.99 -0.46 113.70 122.86 1g72 s SER 320 Ca -0.01 -0.58 -0.14 0.00 1.31 0.00 0.00 55.95 56.53 1g72 s SER 320 Cb -0.12 -0.39 0.07 0.00 0.21 0.00 0.00 66.02 65.78 1g72 s SER 320 CO -0.03 0.23 0.55 -2.28 0.41 0.00 0.00 173.24 172.12 1g72 s HIS 321 N -0.94 -0.80 -0.36 2.43 5.04 0.97 -0.78 115.29 120.84 1g72 s HIS 321 Ca 0.14 1.68 -0.08 0.00 -1.54 0.00 0.00 55.06 55.26 1g72 s HIS 321 Cb -0.10 0.42 0.04 0.00 0.04 0.00 0.00 32.58 32.98 1g72 s HIS 321 CO 0.05 -0.42 0.16 0.42 -2.34 0.00 0.00 174.74 172.61 1g72 s ILE 322 N 1.35 4.05 0.63 0.89 1.01 -1.26 0.39 121.20 128.25 1g72 s ILE 322 Ca -0.08 -1.13 -0.07 0.00 0.00 0.00 0.00 60.65 59.36 1g72 s ILE 322 Cb -0.06 -3.32 0.01 0.00 0.01 0.00 0.00 42.46 39.10 1g72 s ILE 322 CO -0.14 -0.26 0.96 -0.62 0.00 0.00 0.00 174.94 174.88 1g72 s ASP 323 N 1.57 5.51 0.47 3.58 -1.08 -0.74 -4.79 116.67 121.18 1g72 s ASP 323 Ca 0.00 0.81 0.15 0.00 -0.52 0.00 0.00 52.55 52.99 1g72 s ASP 323 Cb -0.20 -1.73 1.13 0.00 -1.46 0.00 0.00 42.92 40.66 1g72 s ASP 323 CO 0.04 -1.17 2.06 0.03 0.52 0.00 0.00 175.17 176.65 1g72 h ARG 324 N -0.33 0.23 0.00 4.34 2.47 -1.79 -1.84 114.38 117.46 1g72 h ARG 324 Ca -0.45 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.25 1g72 h ARG 324 Cb 1.26 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.53 1g72 h ARG 324 CO 0.62 0.15 0.00 0.27 0.56 0.00 0.00 179.97 181.57 1g72 n ASN 325 N -4.48 0.00 0.00 7.04 0.23 -1.26 -2.26 115.26 114.53 1g72 n ASN 325 Ca 0.03 -0.42 0.00 0.00 -0.53 0.00 0.00 54.58 53.67 1g72 n ASN 325 Cb 0.23 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.93 1g72 n ASN 325 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1g72 n GLY 326 N -0.17 0.70 3.70 4.83 0.00 -0.69 -4.60 105.19 108.96 1g72 n GLY 326 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 1g72 n GLY 326 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1g72 s ILE 327 N -2.29 4.74 -0.30 -0.61 -1.09 -1.26 -0.77 121.20 119.62 1g72 s ILE 327 Ca 0.00 -0.07 -0.15 0.00 -2.23 0.00 0.00 60.65 58.20 1g72 s ILE 327 Cb 0.00 -3.07 -0.03 0.00 -1.58 0.00 0.00 42.46 37.78 1g72 s ILE 327 CO 0.00 0.55 0.37 -0.22 -1.23 0.00 0.00 174.94 174.41 1g72 s LEU 328 N -0.39 4.20 -0.09 2.97 0.20 0.13 -1.80 118.68 123.91 1g72 s LEU 328 Ca 0.09 0.06 -0.01 0.00 0.69 0.00 0.00 54.13 54.95 1g72 s LEU 328 Cb -0.12 -2.39 -0.03 0.00 -0.43 0.00 0.00 46.19 43.22 1g72 s LEU 328 CO 0.02 -0.25 -0.02 -0.31 -0.29 0.00 0.00 176.35 175.50 1g72 s TYR 329 N 2.06 3.10 -0.12 5.38 1.51 0.16 -1.95 117.35 127.49 1g72 s TYR 329 Ca 0.14 0.13 -0.02 0.00 -1.01 0.00 0.00 57.07 56.31 1g72 s TYR 329 Cb -0.16 -1.78 0.04 0.00 -0.11 0.00 0.00 41.96 39.95 1g72 s TYR 329 CO 0.11 0.41 0.02 0.99 -1.11 0.00 0.00 175.55 175.97 1g72 s THR 330 N -0.80 0.36 0.36 -0.71 2.01 -0.58 -0.02 115.64 116.26 1g72 s THR 330 Ca 0.12 -0.09 0.06 0.00 0.31 0.00 0.00 61.69 62.08 1g72 s THR 330 Cb -0.11 -0.67 -0.07 0.00 0.01 0.00 0.00 72.50 71.66 1g72 s THR 330 CO 0.02 0.07 0.02 -0.76 -0.69 0.00 0.00 174.62 173.28 1g72 s LEU 331 N 1.96 2.53 -0.30 4.42 1.02 0.39 -1.06 118.68 127.65 1g72 s LEU 331 Ca 0.03 -1.35 -0.25 0.00 0.02 0.00 0.00 54.13 52.57 1g72 s LEU 331 Cb -0.14 -0.65 0.01 0.00 0.02 0.00 0.00 46.19 45.42 1g72 s LEU 331 CO -0.06 -0.50 0.89 0.21 0.02 0.00 0.00 176.35 176.90 1g72 s ASN 332 N -3.59 6.78 0.00 2.29 3.84 -0.31 -0.89 114.94 123.06 1g72 s ASN 332 Ca 0.35 0.84 0.16 0.00 0.21 0.00 0.00 52.86 54.43 1g72 s ASN 332 Cb 0.09 -2.45 0.85 0.00 -0.55 0.00 0.00 41.25 39.19 1g72 s ASN 332 CO 0.16 -0.68 1.46 -2.11 -2.79 0.00 0.00 177.10 173.14 1g72 n ARG 333 N 6.37 0.29 -0.09 0.43 1.85 -0.60 0.00 116.66 124.91 1g72 n ARG 333 Ca 0.07 0.11 -0.20 0.00 -1.00 0.00 0.00 57.85 56.83 1g72 n ARG 333 Cb 0.48 -1.50 -0.12 0.00 -1.05 0.00 0.00 32.46 30.27 1g72 n ARG 333 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 1g72 h GLU 334 N 0.00 0.01 0.00 2.89 5.08 -1.91 -3.42 114.58 117.22 1g72 h GLU 334 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1g72 h GLU 334 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1g72 h GLU 334 CO 0.00 1.00 -0.43 0.27 -1.00 0.00 0.00 179.01 178.85 1g72 n ASN 335 N -4.47 0.79 0.00 1.42 2.04 -1.21 -4.96 115.26 108.87 1g72 n ASN 335 Ca -0.26 -0.54 0.00 0.00 -0.44 0.00 0.00 54.58 53.34 1g72 n ASN 335 Cb 0.63 1.04 0.00 0.00 -2.53 0.00 0.00 39.78 38.92 1g72 n ASN 335 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1g72 n GLY 336 N 1.30 0.63 3.75 4.83 0.00 0.10 -4.73 105.19 111.06 1g72 n GLY 336 Ca 0.01 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 1g72 n GLY 336 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1g72 s ASN 337 N -2.27 6.57 -0.16 1.61 0.01 -1.25 -4.68 114.94 114.77 1g72 s ASN 337 Ca 0.00 2.76 -0.28 0.00 -0.71 0.00 0.00 52.86 54.63 1g72 s ASN 337 Cb 0.00 -2.63 -0.01 0.00 0.41 0.00 0.00 41.25 39.03 1g72 s ASN 337 CO 0.00 -0.77 0.97 -0.22 -1.51 0.00 0.00 177.10 175.57 1g72 s LEU 338 N -0.47 4.19 -0.12 0.60 2.96 -1.26 -1.16 118.68 123.41 1g72 s LEU 338 Ca 0.60 1.39 -0.00 0.00 -0.22 0.00 0.00 54.13 55.91 1g72 s LEU 338 Cb -0.44 -3.47 -0.08 0.00 0.50 0.00 0.00 46.19 42.71 1g72 s LEU 338 CO 0.45 -0.49 -0.12 -0.38 -1.32 0.00 0.00 176.35 174.49 1g72 n ILE 339 N 4.81 0.71 -4.14 6.68 5.41 -0.22 -4.98 119.36 127.62 1g72 n ILE 339 Ca 0.08 -0.26 -0.15 0.00 1.00 0.00 0.00 62.75 63.43 1g72 n ILE 339 Cb 0.48 -1.04 -0.13 0.00 -0.71 0.00 0.00 39.64 38.24 1g72 n ILE 339 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1g72 s VAL 340 N -2.24 0.50 -0.51 1.39 1.01 -0.41 -4.97 120.40 115.17 1g72 s VAL 340 Ca -0.17 -0.55 0.07 0.00 0.00 0.00 0.00 61.98 61.33 1g72 s VAL 340 Cb 0.05 -0.47 0.19 0.00 0.00 0.00 0.00 36.38 36.15 1g72 s VAL 340 CO 0.28 -0.05 0.71 0.00 0.00 0.00 0.00 175.10 176.04 1g72 n ALA 341 N 2.40 -1.39 -2.56 5.51 0.00 -1.22 -1.53 120.51 121.72 1g72 n ALA 341 Ca -0.16 -1.27 -0.28 0.00 0.00 0.00 0.00 53.44 51.73 1g72 n ALA 341 Cb 0.57 -1.41 -0.10 0.00 0.00 0.00 0.00 19.45 18.51 1g72 n ALA 341 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1g72 s GLU 342 N 0.76 2.03 0.16 0.00 0.41 -0.82 -4.53 118.70 116.71 1g72 s GLU 342 Ca 0.31 -1.18 -0.30 0.00 -0.41 0.00 0.00 54.97 53.39 1g72 s GLU 342 Cb 0.03 -2.20 -0.08 0.00 -1.78 0.00 0.00 34.13 30.10 1g72 s GLU 342 CO -0.09 0.46 1.24 0.15 -0.49 0.00 0.00 175.26 176.54 1g72 s LYS 343 N -2.53 4.44 0.41 1.61 1.02 -1.26 0.18 119.74 123.62 1g72 s LYS 343 Ca 0.23 1.92 0.27 0.00 0.02 0.00 0.00 55.97 58.41 1g72 s LYS 343 Cb -0.10 -3.24 0.90 0.00 -0.52 0.00 0.00 37.83 34.86 1g72 s LYS 343 CO 0.14 -0.18 1.79 -0.39 -0.92 0.00 0.00 175.35 175.79 1g72 h VAL 344 N 3.90 0.00 -2.62 3.17 -1.51 -1.31 -3.44 116.25 114.45 1g72 h VAL 344 Ca -0.44 -0.60 -0.11 0.00 -1.23 0.00 0.00 66.70 64.32 1g72 h VAL 344 Cb 1.21 1.55 -0.24 0.00 -2.13 0.00 0.00 31.29 31.69 1g72 h VAL 344 CO 0.77 0.00 -0.18 -0.62 -1.23 0.00 0.00 177.57 176.31 1g72 s ASP 345 N -5.39 -0.49 0.04 4.19 -1.08 -1.26 -5.03 116.67 107.65 1g72 s ASP 345 Ca 0.05 0.93 0.05 0.00 -0.52 0.00 0.00 52.55 53.06 1g72 s ASP 345 Cb 0.08 0.94 0.24 0.00 -1.46 0.00 0.00 42.92 42.72 1g72 s ASP 345 CO 0.56 -0.16 1.16 -0.81 0.52 0.00 0.00 175.17 176.44 1g72 n PRO 346 N 2.91 0.02 0.20 4.34 -0.04 -1.26 -2.51 135.00 138.65 1g72 n PRO 346 Ca -0.14 0.47 0.14 0.00 -0.04 0.00 0.00 63.50 63.93 1g72 n PRO 346 Cb 0.57 -1.55 0.56 0.00 -0.04 0.00 0.00 33.50 33.04 1g72 n PRO 346 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1g72 h ALA 347 N 2.09 1.00 -2.22 0.55 0.00 -1.97 -3.44 119.26 115.28 1g72 h ALA 347 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.35 1g72 h ALA 347 Cb 0.05 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.86 1g72 h ALA 347 CO 0.00 0.00 1.21 0.28 0.00 0.00 0.00 179.25 180.74 1g72 n VAL 348 N -2.67 0.69 -0.11 0.00 0.31 -1.05 -4.62 118.33 110.88 1g72 n VAL 348 Ca 0.02 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1g72 n VAL 348 Cb 0.29 -2.19 0.00 0.00 -0.91 0.00 0.00 33.84 31.03 1g72 n VAL 348 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1g72 n ASN 349 N 7.51 0.43 0.23 4.52 0.23 -0.49 -4.70 115.26 122.99 1g72 n ASN 349 Ca 0.22 -0.72 0.07 0.00 -0.53 0.00 0.00 54.58 53.61 1g72 n ASN 349 Cb 0.37 0.37 0.53 0.00 -2.08 0.00 0.00 39.78 38.97 1g72 n ASN 349 CO 0.00 0.00 0.00 -0.37 -0.93 0.00 0.00 177.26 175.96 1g72 h VAL 350 N 0.11 1.00 -4.28 3.53 -1.51 -1.84 -3.42 116.25 109.83 1g72 h VAL 350 Ca 0.00 -0.76 -0.56 0.00 -1.23 0.00 0.00 66.70 64.15 1g72 h VAL 350 Cb 0.06 1.43 -0.28 0.00 -2.13 0.00 0.00 31.29 30.36 1g72 h VAL 350 CO 0.00 0.21 -0.84 -0.36 -1.23 0.00 0.00 177.57 175.35 1g72 s PHE 351 N -4.40 1.68 0.18 5.19 2.99 -1.26 -2.31 117.98 120.05 1g72 s PHE 351 Ca -0.03 -0.34 0.01 0.00 0.00 0.00 0.00 56.93 56.57 1g72 s PHE 351 Cb 0.15 -1.05 0.07 0.00 0.00 0.00 0.00 43.02 42.19 1g72 s PHE 351 CO 0.67 0.01 1.44 0.87 -0.00 0.00 0.00 175.22 178.21 1g72 h LYS 352 N 5.39 0.31 0.00 0.44 1.57 -0.83 -3.47 116.57 119.97 1g72 h LYS 352 Ca -0.39 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.12 1g72 h LYS 352 Cb 1.15 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1g72 h LYS 352 CO 0.47 0.93 0.00 0.36 -0.57 0.00 0.00 179.45 180.64 1g72 n LYS 353 N -3.79 -2.50 -3.88 3.15 2.85 -1.25 -5.01 118.16 107.73 1g72 n LYS 353 Ca -0.04 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.87 1g72 n LYS 353 Cb 0.72 0.00 -0.14 0.00 -0.65 0.00 0.00 35.03 34.97 1g72 n LYS 353 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1g72 s VAL 354 N -2.00 3.31 -0.21 0.58 1.01 -1.26 0.34 120.40 122.17 1g72 s VAL 354 Ca 0.00 -0.87 -0.29 0.00 0.00 0.00 0.00 61.98 60.82 1g72 s VAL 354 Cb 0.00 -2.69 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 1g72 s VAL 354 CO 0.00 0.16 1.46 -0.62 0.00 0.00 0.00 175.10 176.10 1g72 s ASP 355 N 1.40 6.62 0.58 3.32 2.15 -0.70 -4.89 116.67 125.14 1g72 s ASP 355 Ca 0.01 1.60 0.35 0.00 0.43 0.00 0.00 52.55 54.95 1g72 s ASP 355 Cb -0.17 -2.54 1.69 0.00 -0.30 0.00 0.00 42.92 41.61 1g72 s ASP 355 CO -0.02 -1.06 2.12 -0.07 -0.17 0.00 0.00 175.17 175.97 1g72 h LEU 356 N 10.86 0.00 0.05 -1.34 3.38 -1.95 0.33 115.31 126.65 1g72 h LEU 356 Ca -0.31 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.42 1g72 h LEU 356 Cb 1.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 1g72 h LEU 356 CO 1.00 0.04 -1.26 0.11 0.09 0.00 0.00 178.44 178.41 1g72 h LYS 357 N 0.00 0.11 0.00 1.13 1.57 -1.96 -3.35 116.57 114.07 1g72 h LYS 357 Ca -0.00 -0.19 -0.05 0.00 -1.87 0.00 0.00 60.65 58.53 1g72 h LYS 357 Cb 0.33 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1g72 h LYS 357 CO 0.00 1.09 -0.25 1.79 -0.57 0.00 0.00 179.45 181.52 1g72 h THR 358 N -0.64 0.46 -0.12 -0.16 1.35 -1.97 -3.47 112.91 108.36 1g72 h THR 358 Ca -0.31 -1.51 -0.05 0.00 -0.55 0.00 0.00 66.41 64.00 1g72 h THR 358 Cb 1.51 2.11 -0.02 0.00 -1.73 0.00 0.00 68.15 70.03 1g72 h THR 358 CO -0.06 0.24 -0.04 0.61 -0.25 0.00 0.00 175.52 176.02 1g72 n GLY 359 N 0.94 0.53 3.36 5.82 0.00 0.12 -4.89 105.19 111.06 1g72 n GLY 359 Ca 0.02 -0.23 -0.22 0.00 0.00 0.00 0.00 46.02 45.59 1g72 n GLY 359 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1g72 s THR 360 N -1.85 1.93 0.28 2.61 -4.23 -1.21 -4.92 115.64 108.24 1g72 s THR 360 Ca 0.00 -2.02 -0.29 0.00 -1.18 0.00 0.00 61.69 58.19 1g72 s THR 360 Cb 0.00 -1.95 -0.10 0.00 1.34 0.00 0.00 72.50 71.80 1g72 s THR 360 CO 0.00 -0.35 1.12 -2.84 -0.54 0.00 0.00 174.62 172.02 1g72 s PRO 361 N -2.98 4.61 -0.61 3.99 0.02 -1.26 -1.72 135.00 137.04 1g72 s PRO 361 Ca 0.19 1.84 -0.23 0.00 0.02 0.00 0.00 61.00 62.82 1g72 s PRO 361 Cb -0.05 -3.18 0.06 0.00 0.02 0.00 0.00 34.50 31.34 1g72 s PRO 361 CO 0.08 0.16 0.93 0.08 -0.33 0.00 0.00 177.00 177.91 1g72 s VAL 362 N -1.08 4.39 0.44 3.83 1.01 0.15 -4.91 120.40 124.24 1g72 s VAL 362 Ca 0.45 -0.12 -0.23 0.00 0.00 0.00 0.00 61.98 62.08 1g72 s VAL 362 Cb -0.33 -4.60 -0.08 0.00 0.00 0.00 0.00 36.38 31.38 1g72 s VAL 362 CO 0.42 -1.28 1.15 -0.13 0.00 0.00 0.00 175.10 175.26 1g72 s ARG 363 N 3.91 3.86 -0.34 2.72 0.52 -1.26 -0.19 118.95 128.17 1g72 s ARG 363 Ca 0.25 1.74 -0.04 0.00 -0.52 0.00 0.00 55.73 57.16 1g72 s ARG 363 Cb -0.15 -2.47 0.06 0.00 0.52 0.00 0.00 34.95 32.91 1g72 s ARG 363 CO 0.14 -0.46 0.09 0.34 0.02 0.00 0.00 175.30 175.43 1g72 s ASP 364 N -1.36 5.15 0.54 0.23 3.68 -0.98 -4.74 116.67 119.18 1g72 s ASP 364 Ca 0.62 -1.40 0.34 0.00 2.13 0.00 0.00 52.55 54.23 1g72 s ASP 364 Cb -0.28 -1.80 1.51 0.00 -1.45 0.00 0.00 42.92 40.90 1g72 s ASP 364 CO 0.34 -0.36 1.85 -0.65 0.13 0.00 0.00 175.17 176.48 1g72 h PRO 365 N 8.10 0.01 0.00 4.34 0.11 -1.95 -1.17 132.00 141.44 1g72 h PRO 365 Ca -0.20 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.89 1g72 h PRO 365 Cb 1.07 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 1g72 h PRO 365 CO 0.60 0.01 -0.11 1.49 -0.21 0.00 0.00 178.00 179.78 1g72 h GLU 366 N 0.01 0.00 -0.20 1.05 4.81 -1.94 -2.88 114.58 115.43 1g72 h GLU 366 Ca 0.49 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.62 1g72 h GLU 366 Cb 1.96 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 31.28 1g72 h GLU 366 CO -0.01 0.11 -0.26 1.19 -0.73 0.00 0.00 179.01 179.31 1g72 n PHE 367 N -3.99 0.62 -2.50 0.92 3.01 -0.44 -4.79 117.46 110.29 1g72 n PHE 367 Ca -0.02 -1.56 -0.23 0.00 1.01 0.00 0.00 57.45 56.65 1g72 n PHE 367 Cb 0.19 -0.39 0.05 0.00 -0.01 0.00 0.00 39.48 39.33 1g72 n PHE 367 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1g72 s ALA 368 N -3.24 3.65 0.20 4.37 0.00 -1.09 -4.81 121.76 120.84 1g72 s ALA 368 Ca 0.42 -1.24 0.11 0.00 0.00 0.00 0.00 51.96 51.24 1g72 s ALA 368 Cb 0.39 -2.23 -0.04 0.00 0.00 0.00 0.00 23.12 21.24 1g72 s ALA 368 CO -0.03 -0.99 -0.23 0.95 0.00 0.00 0.00 175.76 175.47 1g72 s THR 369 N -2.95 2.28 -0.23 0.00 -4.23 -1.26 -4.67 115.64 104.58 1g72 s THR 369 Ca 0.59 -2.06 -0.32 0.00 -1.18 0.00 0.00 61.69 58.72 1g72 s THR 369 Cb -0.10 -2.10 0.16 0.00 1.34 0.00 0.00 72.50 71.80 1g72 s THR 369 CO 0.41 -0.18 1.25 0.00 -0.54 0.00 0.00 174.62 175.55 1g72 s ARG 370 N -2.79 0.23 0.68 3.99 1.70 -1.26 -4.89 118.95 116.61 1g72 s ARG 370 Ca 0.21 -0.01 -0.17 0.00 -0.47 0.00 0.00 55.73 55.29 1g72 s ARG 370 Cb -0.07 0.11 -0.02 0.00 -0.57 0.00 0.00 34.95 34.39 1g72 s ARG 370 CO 0.10 -0.09 0.86 -1.33 -1.08 0.00 0.00 175.30 173.76 1g72 n MET 371 N 0.28 0.57 -3.74 3.89 2.81 -1.26 -3.09 117.12 116.57 1g72 n MET 371 Ca -0.01 0.24 -0.28 0.00 -1.81 0.00 0.00 57.70 55.84 1g72 n MET 371 Cb 0.58 -2.11 0.03 0.00 -0.71 0.00 0.00 33.22 31.02 1g72 n MET 371 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1g72 n ASP 372 N -1.07 -5.11 -3.63 7.83 8.00 -1.26 -4.97 116.55 116.35 1g72 n ASP 372 Ca 0.13 -0.66 -0.14 0.00 0.71 0.00 0.00 54.79 54.82 1g72 n ASP 372 Cb 0.49 -4.08 -0.07 0.00 -0.02 0.00 0.00 41.12 37.44 1g72 n ASP 372 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1g72 s HIS 373 N -3.26 -0.77 -0.37 1.24 2.46 -1.18 -5.13 115.29 108.29 1g72 s HIS 373 Ca 0.60 1.88 -0.08 0.00 0.47 0.00 0.00 55.06 57.93 1g72 s HIS 373 Cb -0.30 0.28 0.04 0.00 -0.13 0.00 0.00 32.58 32.47 1g72 s HIS 373 CO 0.75 -0.38 0.17 0.21 -2.47 0.00 0.00 174.74 173.02 1g72 s LYS 374 N 0.34 2.68 0.16 2.88 2.20 -1.26 -4.45 119.74 122.29 1g72 s LYS 374 Ca -0.00 -1.20 -0.29 0.00 -0.36 0.00 0.00 55.97 54.11 1g72 s LYS 374 Cb -0.05 -3.62 -0.07 0.00 -1.51 0.00 0.00 37.83 32.58 1g72 s LYS 374 CO 0.01 -0.74 0.93 0.20 -0.36 0.00 0.00 175.35 175.39 1g72 s GLY 375 N 1.59 3.03 0.14 5.54 0.00 0.03 -4.88 107.32 112.76 1g72 s GLY 375 Ca 0.01 0.56 0.07 0.00 0.00 0.00 0.00 44.72 45.35 1g72 s GLY 375 CO 0.04 1.28 -0.15 -0.51 0.00 0.00 0.00 173.10 173.76 1g72 s THR 376 N -0.56 1.48 -1.50 0.90 -4.23 -1.26 -0.29 115.64 110.17 1g72 s THR 376 Ca 0.43 -1.81 -0.13 0.00 -1.18 0.00 0.00 61.69 59.00 1g72 s THR 376 Cb -0.24 -1.66 0.07 0.00 1.34 0.00 0.00 72.50 72.01 1g72 s THR 376 CO 0.30 -0.41 1.01 0.59 -0.54 0.00 0.00 174.62 175.56 1g72 n ASN 377 N 0.39 -5.16 -4.70 3.99 3.02 -0.94 -4.95 115.26 106.92 1g72 n ASN 377 Ca -0.14 -0.71 -0.41 0.00 -0.03 0.00 0.00 54.58 53.29 1g72 n ASN 377 Cb 0.57 -4.10 -0.04 0.00 -0.61 0.00 0.00 39.78 35.60 1g72 n ASN 377 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1g72 s ILE 378 N -3.29 4.96 -0.06 2.41 1.01 -0.32 -4.84 121.20 121.07 1g72 s ILE 378 Ca 0.64 1.62 0.02 0.00 0.00 0.00 0.00 60.65 62.93 1g72 s ILE 378 Cb -0.31 -4.12 0.01 0.00 0.01 0.00 0.00 42.46 38.04 1g72 s ILE 378 CO 0.79 0.16 -0.11 0.00 0.00 0.00 0.00 174.94 175.78 1g72 s PRO 380 N 0.60 2.02 0.98 0.00 0.02 -1.26 -1.40 135.00 135.96 1g72 s PRO 380 Ca -0.12 0.41 -0.16 0.00 0.02 0.00 0.00 61.00 61.15 1g72 s PRO 380 Cb -0.15 -1.93 0.22 0.00 0.02 0.00 0.00 34.50 32.67 1g72 s PRO 380 CO 0.03 -1.61 1.33 -1.54 -0.33 0.00 0.00 177.00 174.88 1g72 s SER 381 N -4.18 2.89 0.63 2.53 1.04 -0.38 -4.76 113.70 111.48 1g72 s SER 381 Ca 0.61 0.09 0.39 0.00 0.48 0.00 0.00 55.95 57.52 1g72 s SER 381 Cb -0.13 -0.05 2.11 0.00 0.10 0.00 0.00 66.02 68.05 1g72 s SER 381 CO 0.52 -2.86 2.29 0.00 0.98 0.00 0.00 173.24 174.17 1g72 h ALA 382 N -1.70 1.15 0.00 5.32 0.00 -1.86 0.20 119.26 122.37 1g72 h ALA 382 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1g72 h ALA 382 Cb 1.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1g72 h ALA 382 CO 0.32 0.01 0.00 -1.33 0.00 0.00 0.00 179.25 178.25 1g72 n MET 383 N -3.32 0.15 -0.51 0.00 2.81 -1.26 -4.70 117.12 110.28 1g72 n MET 383 Ca -0.03 0.22 0.07 0.00 -1.81 0.00 0.00 57.70 56.15 1g72 n MET 383 Cb 0.11 -1.70 -0.02 0.00 -0.71 0.00 0.00 33.22 30.89 1g72 n MET 383 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1g72 n GLY 384 N 0.86 -2.10 0.57 3.03 0.00 0.70 -4.40 105.19 103.84 1g72 n GLY 384 Ca 0.05 -1.36 0.13 0.00 0.00 0.00 0.00 46.02 44.83 1g72 n GLY 384 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1g72 n PHE 385 N -3.01 0.08 -3.64 1.61 3.01 -0.96 -4.55 117.46 110.00 1g72 n PHE 385 Ca -0.01 -0.04 -0.09 0.00 1.01 0.00 0.00 57.45 58.32 1g72 n PHE 385 Cb 0.24 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.64 1g72 n PHE 385 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 1g72 s HIS 386 N -1.92 -0.91 0.00 1.38 2.46 -1.26 -1.08 115.29 113.96 1g72 s HIS 386 Ca 0.36 1.92 0.00 0.00 0.47 0.00 0.00 55.06 57.81 1g72 s HIS 386 Cb 0.20 0.49 0.00 0.00 -0.13 0.00 0.00 32.58 33.14 1g72 s HIS 386 CO 0.31 -0.45 0.00 -1.71 -2.47 0.00 0.00 174.74 170.42 1g72 n ASN 387 N 3.68 0.00 0.00 9.88 2.85 -1.26 -3.86 115.26 126.55 1g72 n ASN 387 Ca -0.18 0.00 0.01 0.00 -0.11 0.00 0.00 54.58 54.31 1g72 n ASN 387 Cb 0.58 0.00 0.08 0.00 1.24 0.00 0.00 39.78 41.67 1g72 n ASN 387 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1g72 n GLN 388 N 0.00 0.13 -2.02 1.20 -0.00 -1.26 -4.75 117.38 110.67 1g72 n GLN 388 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 57.00 56.63 1g72 n GLN 388 Cb 0.00 -1.31 0.02 0.00 -0.00 0.00 0.00 30.24 28.95 1g72 n GLN 388 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1g72 s GLY 389 N -1.95 2.80 -0.29 2.61 0.00 -1.10 -4.94 107.32 104.45 1g72 s GLY 389 Ca 0.04 1.08 -0.08 0.00 0.00 0.00 0.00 44.72 45.77 1g72 s GLY 389 CO 0.03 1.54 0.10 0.14 0.00 0.00 0.00 173.10 174.91 1g72 s VAL 390 N -1.49 4.23 0.64 1.40 1.01 -0.84 -4.61 120.40 120.74 1g72 s VAL 390 Ca 0.71 -0.52 -0.01 0.00 0.00 0.00 0.00 61.98 62.16 1g72 s VAL 390 Cb -0.33 -3.14 0.07 0.00 0.00 0.00 0.00 36.38 32.98 1g72 s VAL 390 CO 0.38 0.12 0.90 -1.81 0.00 0.00 0.00 175.10 174.68 1g72 s ASP 391 N 1.56 4.86 0.17 3.32 1.01 -1.26 -0.51 116.67 125.82 1g72 s ASP 391 Ca 0.04 -0.04 0.09 0.00 0.71 0.00 0.00 52.55 53.35 1g72 s ASP 391 Cb -0.17 -0.63 -0.04 0.00 1.01 0.00 0.00 42.92 43.09 1g72 s ASP 391 CO 0.04 -1.48 -0.19 -0.94 0.21 0.00 0.00 175.17 172.81 1g72 s SER 392 N -4.55 2.80 -0.04 0.27 1.04 -1.19 -4.31 113.70 107.72 1g72 s SER 392 Ca 0.61 -0.85 0.05 0.00 0.48 0.00 0.00 55.95 56.23 1g72 s SER 392 Cb -0.09 -0.17 -0.00 0.00 0.10 0.00 0.00 66.02 65.86 1g72 s SER 392 CO 0.42 -0.00 -0.18 -0.47 0.98 0.00 0.00 173.24 173.98 1g72 s TYR 393 N -1.93 1.81 -0.35 5.02 5.04 -0.60 -0.60 117.35 125.73 1g72 s TYR 393 Ca 0.16 -0.52 -0.12 0.00 -2.44 0.00 0.00 57.07 54.15 1g72 s TYR 393 Cb -0.06 -1.22 -0.00 0.00 0.35 0.00 0.00 41.96 41.03 1g72 s TYR 393 CO 0.07 -0.17 0.22 0.34 -1.34 0.00 0.00 175.55 174.67 1g72 s ASP 394 N 0.00 5.90 0.36 4.32 2.15 0.27 -4.70 116.67 124.97 1g72 s ASP 394 Ca -0.04 -0.62 0.04 0.00 0.43 0.00 0.00 52.55 52.36 1g72 s ASP 394 Cb -0.12 -2.09 0.69 0.00 -0.30 0.00 0.00 42.92 41.10 1g72 s ASP 394 CO 0.02 -0.29 2.01 -0.65 -0.17 0.00 0.00 175.17 176.10 1g72 h PRO 395 N 8.47 0.73 0.49 4.34 0.11 -1.96 0.21 132.00 144.38 1g72 h PRO 395 Ca -0.30 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.73 1g72 h PRO 395 Cb 1.14 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1g72 h PRO 395 CO 0.65 0.50 -0.23 0.93 -0.21 0.00 0.00 178.00 179.64 1g72 h GLU 396 N 0.75 -0.63 -0.00 1.05 5.08 -1.98 -3.24 114.58 115.61 1g72 h GLU 396 Ca 0.20 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1g72 h GLU 396 Cb -0.05 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1g72 h GLU 396 CO -0.04 -0.33 -0.16 -1.13 -1.00 0.00 0.00 179.01 176.35 1g72 n SER 397 N -5.24 0.56 -3.50 1.42 3.41 -1.23 -4.95 113.62 104.08 1g72 n SER 397 Ca -0.10 -0.54 -0.23 0.00 -0.26 0.00 0.00 58.87 57.74 1g72 n SER 397 Cb 0.31 -0.03 0.04 0.00 -0.26 0.00 0.00 64.21 64.26 1g72 n SER 397 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1g72 n ARG 398 N -0.97 -1.50 -4.41 4.33 1.74 0.69 -5.01 116.66 111.53 1g72 n ARG 398 Ca 0.13 0.72 -0.20 0.00 -0.77 0.00 0.00 57.85 57.73 1g72 n ARG 398 Cb 0.30 -4.63 -0.15 0.00 -1.02 0.00 0.00 32.46 26.96 1g72 n ARG 398 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1g72 s THR 399 N -3.35 0.78 -0.17 0.55 2.01 -1.00 -4.59 115.64 109.87 1g72 s THR 399 Ca 0.38 -0.40 -0.06 0.00 0.31 0.00 0.00 61.69 61.92 1g72 s THR 399 Cb -0.11 -0.67 -0.04 0.00 0.01 0.00 0.00 72.50 71.70 1g72 s THR 399 CO 0.82 0.23 0.03 -0.22 -0.69 0.00 0.00 174.62 174.79 1g72 s LEU 400 N -0.07 3.63 -0.46 4.42 2.96 -0.62 -0.56 118.68 127.97 1g72 s LEU 400 Ca 0.01 0.02 -0.10 0.00 -0.22 0.00 0.00 54.13 53.84 1g72 s LEU 400 Cb -0.06 -1.90 0.10 0.00 0.50 0.00 0.00 46.19 44.84 1g72 s LEU 400 CO -0.00 0.18 0.34 -0.31 -1.32 0.00 0.00 176.35 175.24 1g72 s TYR 401 N 0.33 3.36 -0.04 5.38 2.02 0.23 -0.48 117.35 128.14 1g72 s TYR 401 Ca 0.01 -1.63 -0.10 0.00 -0.37 0.00 0.00 57.07 54.99 1g72 s TYR 401 Cb -0.13 -3.33 -0.05 0.00 -0.40 0.00 0.00 41.96 38.05 1g72 s TYR 401 CO 0.01 -0.94 0.27 0.00 -1.57 0.00 0.00 175.55 173.33 1g72 s ALA 402 N 1.43 3.80 -0.37 3.71 0.00 -0.55 -3.35 121.76 126.44 1g72 s ALA 402 Ca 0.04 -0.47 -0.16 0.00 0.00 0.00 0.00 51.96 51.37 1g72 s ALA 402 Cb -0.25 -2.15 -0.00 0.00 0.00 0.00 0.00 23.12 20.72 1g72 s ALA 402 CO 0.01 0.57 0.41 0.20 0.00 0.00 0.00 175.76 176.96 1g72 s GLY 403 N -1.21 1.88 0.35 0.00 0.00 -1.26 -1.30 107.32 105.78 1g72 s GLY 403 Ca 0.21 -1.26 0.08 0.00 0.00 0.00 0.00 44.72 43.76 1g72 s GLY 403 CO 0.10 1.09 0.18 1.08 0.00 0.00 0.00 173.10 175.56 1g72 s LEU 404 N 2.12 3.30 0.04 0.66 1.43 0.12 -4.73 118.68 121.63 1g72 s LEU 404 Ca 0.13 -0.76 0.07 0.00 -1.03 0.00 0.00 54.13 52.54 1g72 s LEU 404 Cb -0.16 -1.80 -0.03 0.00 0.03 0.00 0.00 46.19 44.23 1g72 s LEU 404 CO 0.13 -0.35 -0.16 0.20 0.23 0.00 0.00 176.35 176.39 1g72 s ASN 405 N -3.89 3.93 -0.61 2.29 0.02 -0.24 -2.07 114.94 114.37 1g72 s ASN 405 Ca 0.39 -0.39 0.05 0.00 -1.02 0.00 0.00 52.86 51.89 1g72 s ASN 405 Cb -0.02 -0.68 0.18 0.00 0.02 0.00 0.00 41.25 40.74 1g72 s ASN 405 CO 0.23 0.25 0.46 1.57 0.02 0.00 0.00 177.10 179.64 1g72 n HIS 406 N 1.49 1.97 -4.03 2.20 -0.00 0.92 -4.39 115.22 113.39 1g72 n HIS 406 Ca -0.16 -4.00 -0.15 0.00 0.46 0.00 0.00 57.72 53.87 1g72 n HIS 406 Cb 0.52 -0.36 -0.15 0.00 -0.12 0.00 0.00 29.99 29.89 1g72 n HIS 406 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 1g72 s ILE 407 N -1.07 0.26 0.30 3.57 1.01 -1.26 -0.71 121.20 123.30 1g72 s ILE 407 Ca 0.28 -0.09 0.01 0.00 0.00 0.00 0.00 60.65 60.85 1g72 s ILE 407 Cb -0.00 -0.25 -0.00 0.00 0.01 0.00 0.00 42.46 42.21 1g72 s ILE 407 CO -0.17 0.10 0.03 0.00 0.00 0.00 0.00 174.94 174.90 1g72 s MET 409 N -3.12 1.88 0.04 0.00 0.23 -0.04 -2.03 119.30 116.26 1g72 s MET 409 Ca 0.05 -1.10 0.07 0.00 -1.03 0.00 0.00 55.69 53.68 1g72 s MET 409 Cb 0.00 0.60 -0.03 0.00 -1.53 0.00 0.00 34.83 33.87 1g72 s MET 409 CO 0.03 -0.87 -0.17 -0.51 -2.03 0.00 0.00 175.02 171.48 1g72 s ASP 410 N -2.97 3.89 -0.17 -1.18 1.01 -0.15 -1.17 116.67 115.93 1g72 s ASP 410 Ca 0.12 -0.41 -0.09 0.00 0.71 0.00 0.00 52.55 52.88 1g72 s ASP 410 Cb -0.05 -0.65 0.06 0.00 1.01 0.00 0.00 42.92 43.28 1g72 s ASP 410 CO 0.08 0.25 0.40 0.86 0.21 0.00 0.00 175.17 176.97 1g72 s TRP 411 N -0.95 -0.58 -0.03 4.23 -0.11 0.60 -2.35 118.94 119.74 1g72 s TRP 411 Ca 0.15 1.25 -0.01 0.00 1.22 0.00 0.00 56.10 58.71 1g72 s TRP 411 Cb -0.11 0.25 0.03 0.00 -1.50 0.00 0.00 33.47 32.14 1g72 s TRP 411 CO 0.06 -0.33 0.05 -2.00 -4.62 0.00 0.00 176.95 170.11 1g72 s GLU 412 N 1.32 -0.04 0.80 5.86 2.12 -0.72 -0.79 118.70 127.25 1g72 s GLU 412 Ca -0.09 0.30 -0.11 0.00 0.36 0.00 0.00 54.97 55.43 1g72 s GLU 412 Cb -0.08 -0.43 0.09 0.00 0.26 0.00 0.00 34.13 33.97 1g72 s GLU 412 CO -0.12 -0.27 1.15 -2.14 -0.54 0.00 0.00 175.26 173.34 1g72 s PRO 413 N 1.76 1.90 -0.10 4.30 0.02 -1.26 -0.57 135.00 141.05 1g72 s PRO 413 Ca -0.00 -0.03 -0.26 0.00 0.02 0.00 0.00 61.00 60.73 1g72 s PRO 413 Cb -0.12 -2.00 0.06 0.00 0.02 0.00 0.00 34.50 32.46 1g72 s PRO 413 CO -0.03 -1.58 0.60 -0.59 -0.33 0.00 0.00 177.00 175.07 1g72 s PHE 414 N -3.52 -0.59 0.42 6.54 -0.12 -0.92 -4.66 117.98 115.14 1g72 s PHE 414 Ca 0.63 1.14 -0.24 0.00 -0.05 0.00 0.00 56.93 58.40 1g72 s PHE 414 Cb -0.10 0.31 -0.08 0.00 -0.63 0.00 0.00 43.02 42.51 1g72 s PHE 414 CO 0.48 -0.49 1.20 -1.64 -0.05 0.00 0.00 175.22 174.72 1g72 s MET 415 N -0.77 3.91 0.02 1.99 -1.94 -1.26 -4.61 119.30 116.64 1g72 s MET 415 Ca -0.08 1.88 -0.28 0.00 -1.71 0.00 0.00 55.69 55.50 1g72 s MET 415 Cb -0.02 -2.59 0.07 0.00 2.01 0.00 0.00 34.83 34.30 1g72 s MET 415 CO 0.06 -0.45 0.65 -0.48 -0.01 0.00 0.00 175.02 174.79 1g72 s LEU 416 N -2.69 -0.61 0.42 -0.03 2.34 -1.26 -5.03 118.68 111.82 1g72 s LEU 416 Ca 0.60 0.47 -0.04 0.00 0.06 0.00 0.00 54.13 55.22 1g72 s LEU 416 Cb -0.32 2.55 -0.04 0.00 -0.56 0.00 0.00 46.19 47.82 1g72 s LEU 416 CO 0.39 -0.73 0.70 -2.16 -1.06 0.00 0.00 176.35 173.49 1g72 s PRO 417 N -2.07 3.54 -0.17 1.48 0.04 -1.26 -5.07 135.00 131.50 1g72 s PRO 417 Ca -0.07 0.04 -0.12 0.00 0.04 0.00 0.00 61.00 60.89 1g72 s PRO 417 Cb -0.00 -2.48 -0.05 0.00 0.04 0.00 0.00 34.50 32.00 1g72 s PRO 417 CO 0.02 -0.06 0.23 -0.47 0.04 0.00 0.00 177.00 176.76 1g72 s TYR 418 N -2.54 3.45 -0.12 0.56 5.04 -1.26 -4.93 117.35 117.54 1g72 s TYR 418 Ca 0.45 0.50 -0.03 0.00 -2.44 0.00 0.00 57.07 55.54 1g72 s TYR 418 Cb -0.10 -2.25 0.05 0.00 0.35 0.00 0.00 41.96 40.00 1g72 s TYR 418 CO 0.40 0.29 0.07 1.03 -1.34 0.00 0.00 175.55 176.00 1g72 s ARG 419 N 0.33 0.13 -0.04 4.97 1.81 -1.26 -5.11 118.95 119.78 1g72 s ARG 419 Ca 0.13 0.04 -0.38 0.00 -1.72 0.00 0.00 55.73 53.80 1g72 s ARG 419 Cb -0.12 -1.37 -0.17 0.00 -0.45 0.00 0.00 34.95 32.84 1g72 s ARG 419 CO 0.02 -0.53 1.43 0.00 -0.68 0.00 0.00 175.30 175.54 1g72 n ALA 420 N 5.25 -1.10 -0.15 2.13 0.00 -1.26 -0.73 120.51 124.65 1g72 n ALA 420 Ca -0.06 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1g72 n ALA 420 Cb 0.49 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.87 1g72 n ALA 420 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1g72 n GLY 421 N 2.91 0.79 3.62 0.00 0.00 -1.24 -4.88 105.19 106.39 1g72 n GLY 421 Ca 0.21 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.98 1g72 n GLY 421 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1g72 s GLN 422 N -0.69 2.25 0.55 1.61 -1.52 0.09 -4.74 119.66 117.20 1g72 s GLN 422 Ca 0.00 -1.26 -0.21 0.00 -1.95 0.00 0.00 55.36 51.95 1g72 s GLN 422 Cb 0.00 -2.23 -0.05 0.00 -0.22 0.00 0.00 33.01 30.51 1g72 s GLN 422 CO 0.00 0.42 1.24 -0.06 -0.25 0.00 0.00 175.29 176.64 1g72 s PHE 423 N -1.90 2.47 -0.41 0.91 0.40 -1.26 -4.65 117.98 113.54 1g72 s PHE 423 Ca 0.28 1.48 0.11 0.00 -0.60 0.00 0.00 56.93 58.19 1g72 s PHE 423 Cb -0.08 -3.55 0.35 0.00 0.51 0.00 0.00 43.02 40.25 1g72 s PHE 423 CO 0.18 -2.25 0.78 0.34 0.70 0.00 0.00 175.22 174.97 1g72 n PHE 424 N -1.17 1.05 -0.00 0.36 7.35 0.17 -4.85 117.46 120.36 1g72 n PHE 424 Ca 0.11 -3.84 -0.00 0.00 -0.76 0.00 0.00 57.45 52.96 1g72 n PHE 424 Cb 0.48 -0.43 -0.00 0.00 0.35 0.00 0.00 39.48 39.88 1g72 n PHE 424 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1g72 n VAL 425 N 0.16 0.04 -2.51 -2.13 0.31 -1.24 -4.19 118.33 108.77 1g72 n VAL 425 Ca 0.26 0.49 -0.05 0.00 -0.01 0.00 0.00 64.34 65.03 1g72 n VAL 425 Cb 0.61 -1.52 0.02 0.00 -0.91 0.00 0.00 33.84 32.03 1g72 n VAL 425 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1g72 n GLY 426 N 1.70 0.37 3.58 2.92 0.00 -1.26 -1.01 105.19 111.48 1g72 n GLY 426 Ca -0.00 -0.38 -0.15 0.00 0.00 0.00 0.00 46.02 45.49 1g72 n GLY 426 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g72 s ALA 427 N -3.09 -1.80 -0.18 4.61 0.00 -1.26 -2.16 121.76 117.88 1g72 s ALA 427 Ca 0.05 1.69 -0.01 0.00 0.00 0.00 0.00 51.96 53.70 1g72 s ALA 427 Cb -0.02 -0.67 -0.00 0.00 0.00 0.00 0.00 23.12 22.42 1g72 s ALA 427 CO 0.18 -0.34 -0.11 0.99 0.00 0.00 0.00 175.76 176.48 1g72 s THR 428 N -0.38 2.90 0.38 0.00 2.01 0.27 -4.98 115.64 115.85 1g72 s THR 428 Ca -0.05 -0.67 0.08 0.00 0.31 0.00 0.00 61.69 61.36 1g72 s THR 428 Cb -0.03 -2.27 -0.07 0.00 0.01 0.00 0.00 72.50 70.14 1g72 s THR 428 CO 0.04 0.49 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.67 1g72 s LEU 429 N 1.08 2.81 -0.12 4.42 1.02 -1.26 -1.75 118.68 124.88 1g72 s LEU 429 Ca 0.00 -1.30 -0.05 0.00 0.02 0.00 0.00 54.13 52.80 1g72 s LEU 429 Cb -0.15 -0.93 0.05 0.00 0.02 0.00 0.00 46.19 45.19 1g72 s LEU 429 CO -0.03 -0.35 0.27 0.00 0.02 0.00 0.00 176.35 176.26 1g72 s ALA 430 N -2.68 -0.61 0.18 4.21 0.00 -0.99 -4.44 121.76 117.42 1g72 s ALA 430 Ca 0.34 1.04 0.11 0.00 0.00 0.00 0.00 51.96 53.44 1g72 s ALA 430 Cb 0.07 -0.78 -0.04 0.00 0.00 0.00 0.00 23.12 22.37 1g72 s ALA 430 CO 0.17 -0.34 -0.23 -1.64 0.00 0.00 0.00 175.76 173.73 1g72 s MET 431 N 1.62 1.43 0.22 0.00 -1.94 -1.24 -0.98 119.30 118.40 1g72 s MET 431 Ca -0.06 -1.46 -0.23 0.00 -1.71 0.00 0.00 55.69 52.23 1g72 s MET 431 Cb -0.11 -1.70 0.04 0.00 2.01 0.00 0.00 34.83 35.07 1g72 s MET 431 CO -0.09 0.37 0.77 1.52 -0.01 0.00 0.00 175.02 177.58 1g72 s TYR 432 N -1.67 -0.24 0.55 -0.03 -0.85 -0.86 -3.73 117.35 110.52 1g72 s TYR 432 Ca 0.18 -0.13 -0.21 0.00 -0.52 0.00 0.00 57.07 56.39 1g72 s TYR 432 Cb -0.08 0.66 -0.06 0.00 0.38 0.00 0.00 41.96 42.87 1g72 s TYR 432 CO 0.08 -1.05 1.16 -2.30 -1.52 0.00 0.00 175.55 171.92 1g72 n PRO 433 N -0.44 1.31 -0.97 -3.49 -0.02 -1.26 -0.94 135.00 129.19 1g72 n PRO 433 Ca -0.07 0.49 -0.29 0.00 -2.02 0.00 0.00 63.50 61.61 1g72 n PRO 433 Cb 0.60 -2.34 0.22 0.00 -0.02 0.00 0.00 33.50 31.97 1g72 n PRO 433 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1g72 s GLY 434 N -1.03 1.55 0.07 -1.23 0.00 0.11 -4.50 107.32 102.30 1g72 s GLY 434 Ca 0.72 -0.63 0.27 0.00 0.00 0.00 0.00 44.72 45.08 1g72 s GLY 434 CO 0.49 0.16 1.67 -1.55 0.00 0.00 0.00 173.10 173.86 1g72 n PRO 435 N -4.67 0.12 -0.16 2.90 -0.04 -1.26 -4.35 135.00 127.53 1g72 n PRO 435 Ca 0.09 0.07 0.11 0.00 -0.04 0.00 0.00 63.50 63.73 1g72 n PRO 435 Cb 0.58 -1.61 0.27 0.00 -0.04 0.00 0.00 33.50 32.70 1g72 n PRO 435 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1g72 n ASN 436 N -1.80 2.84 -4.77 3.54 3.02 -1.26 -4.81 115.26 112.01 1g72 n ASN 436 Ca 0.06 -1.91 -0.37 0.00 -0.03 0.00 0.00 54.58 52.33 1g72 n ASN 436 Cb 0.38 -0.21 -0.00 0.00 -0.61 0.00 0.00 39.78 39.34 1g72 n ASN 436 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1g72 s GLY 437 N -1.48 2.79 0.31 7.41 0.00 -1.26 -4.89 107.32 110.21 1g72 s GLY 437 Ca 0.36 1.00 0.06 0.00 0.00 0.00 0.00 44.72 46.15 1g72 s GLY 437 CO 0.29 1.46 1.63 -2.55 0.00 0.00 0.00 173.10 173.93 1g72 h PRO 438 N 1.92 0.15 -0.22 2.90 0.11 -1.94 0.28 132.00 135.20 1g72 h PRO 438 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1g72 h PRO 438 Cb 1.26 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1g72 h PRO 438 CO 0.60 0.10 0.00 0.25 -0.21 0.00 0.00 178.00 178.74 1g72 n THR 439 N -5.26 1.38 -1.61 -1.15 -2.24 -1.26 -4.96 114.28 99.18 1g72 n THR 439 Ca 0.26 -1.32 -0.19 0.00 -2.27 0.00 0.00 64.05 60.52 1g72 n THR 439 Cb 0.83 0.26 -0.08 0.00 -2.10 0.00 0.00 70.33 69.24 1g72 n THR 439 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1g72 n LYS 440 N -0.12 -1.34 -0.00 -0.78 5.02 0.97 -4.80 118.16 117.12 1g72 n LYS 440 Ca 0.12 1.15 0.01 0.00 -2.02 0.00 0.00 58.31 57.57 1g72 n LYS 440 Cb 0.52 -5.48 -0.01 0.00 -0.02 0.00 0.00 35.03 30.04 1g72 n LYS 440 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1g72 n LYS 441 N -2.48 0.86 -2.02 1.97 4.76 -1.26 -4.84 118.16 115.16 1g72 n LYS 441 Ca -0.19 -0.01 -0.41 0.00 -2.87 0.00 0.00 58.31 54.83 1g72 n LYS 441 Cb 0.63 -0.97 -0.02 0.00 -1.84 0.00 0.00 35.03 32.83 1g72 n LYS 441 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1g72 s GLU 442 N -1.96 4.27 0.00 1.97 8.01 -1.26 -4.82 118.70 124.91 1g72 s GLU 442 Ca -0.00 2.30 0.02 0.00 0.01 0.00 0.00 54.97 57.30 1g72 s GLU 442 Cb 0.01 -3.10 0.04 0.00 -4.31 0.00 0.00 34.13 26.77 1g72 s GLU 442 CO 0.05 -0.40 0.85 -1.33 0.01 0.00 0.00 175.26 174.44 1g72 n MET 443 N 2.13 1.46 -4.07 1.61 2.81 -0.41 -4.35 117.12 116.31 1g72 n MET 443 Ca 0.06 -1.21 -0.11 0.00 -1.81 0.00 0.00 57.70 54.63 1g72 n MET 443 Cb 0.40 -1.05 -0.11 0.00 -0.71 0.00 0.00 33.22 31.76 1g72 n MET 443 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1g72 s GLY 444 N -0.66 0.50 -0.01 3.03 0.00 -0.78 -0.05 107.32 109.34 1g72 s GLY 444 Ca 0.04 -0.90 -0.10 0.00 0.00 0.00 0.00 44.72 43.76 1g72 s GLY 444 CO 0.03 -0.97 0.20 1.20 0.00 0.00 0.00 173.10 173.56 1g72 s GLN 445 N -2.28 0.51 -0.24 2.90 -0.21 -0.88 -0.46 119.66 119.01 1g72 s GLN 445 Ca -0.05 -0.24 -0.01 0.00 0.02 0.00 0.00 55.36 55.08 1g72 s GLN 445 Cb -0.05 0.22 0.03 0.00 1.00 0.00 0.00 33.01 34.21 1g72 s GLN 445 CO -0.02 -0.12 -0.08 0.42 -2.12 0.00 0.00 175.29 173.37 1g72 s ILE 446 N -1.16 2.74 -0.06 1.08 -1.09 0.10 0.16 121.20 122.97 1g72 s ILE 446 Ca -0.12 -1.07 0.02 0.00 -2.23 0.00 0.00 60.65 57.25 1g72 s ILE 446 Cb -0.06 -2.39 0.02 0.00 -1.58 0.00 0.00 42.46 38.45 1g72 s ILE 446 CO 0.02 0.21 -0.09 -0.60 -1.23 0.00 0.00 174.94 173.25 1g72 s ARG 447 N 1.30 1.40 -0.10 2.79 3.52 -0.42 -0.55 118.95 126.89 1g72 s ARG 447 Ca -0.00 -0.30 -0.19 0.00 -0.13 0.00 0.00 55.73 55.10 1g72 s ARG 447 Cb -0.17 -1.23 -0.04 0.00 -1.56 0.00 0.00 34.95 31.96 1g72 s ARG 447 CO -0.05 -0.03 0.53 0.00 -0.81 0.00 0.00 175.30 174.95 1g72 s ALA 448 N 0.81 3.44 0.24 6.12 0.00 -0.89 -1.48 121.76 129.99 1g72 s ALA 448 Ca -0.12 -0.10 0.11 0.00 0.00 0.00 0.00 51.96 51.84 1g72 s ALA 448 Cb -0.15 -2.72 -0.05 0.00 0.00 0.00 0.00 23.12 20.20 1g72 s ALA 448 CO 0.02 -0.02 -0.19 -0.06 0.00 0.00 0.00 175.76 175.51 1g72 s PHE 449 N 0.65 2.12 -0.24 0.00 0.08 0.36 0.10 117.98 121.05 1g72 s PHE 449 Ca 0.29 -0.40 -0.08 0.00 0.12 0.00 0.00 56.93 56.86 1g72 s PHE 449 Cb -0.16 -0.96 -0.03 0.00 -0.57 0.00 0.00 43.02 41.30 1g72 s PHE 449 CO 0.12 0.57 0.08 0.34 -0.10 0.00 0.00 175.22 176.23 1g72 s ASP 450 N -3.28 5.24 0.15 1.36 3.68 -0.60 -1.59 116.67 121.63 1g72 s ASP 450 Ca 0.26 -0.16 0.24 0.00 2.13 0.00 0.00 52.55 55.01 1g72 s ASP 450 Cb -0.05 -1.94 0.91 0.00 -1.45 0.00 0.00 42.92 40.40 1g72 s ASP 450 CO 0.12 -0.01 1.73 0.18 0.13 0.00 0.00 175.17 177.31 1g72 n LEU 451 N 4.78 0.47 0.09 -1.34 4.77 -1.26 0.09 117.00 124.59 1g72 n LEU 451 Ca -0.16 0.58 0.09 0.00 -0.03 0.00 0.00 56.01 56.49 1g72 n LEU 451 Cb 0.52 -0.47 -0.02 0.00 -2.33 0.00 0.00 43.42 41.12 1g72 n LEU 451 CO 0.31 -0.28 -0.05 0.35 -1.33 0.00 0.00 177.39 176.40 1g72 n THR 452 N -1.98 0.73 -0.00 -5.08 -2.24 -1.26 -4.36 114.28 100.09 1g72 n THR 452 Ca 0.04 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 1g72 n THR 452 Cb 0.30 -0.42 -0.00 0.00 -2.10 0.00 0.00 70.33 68.11 1g72 n THR 452 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1g72 n THR 453 N -2.72 0.00 -1.02 4.28 -2.24 -1.20 -4.88 114.28 106.50 1g72 n THR 453 Ca -0.02 -0.01 -0.01 0.00 -2.27 0.00 0.00 64.05 61.75 1g72 n THR 453 Cb 0.61 0.36 -0.00 0.00 -2.10 0.00 0.00 70.33 69.20 1g72 n THR 453 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1g72 n GLY 454 N 2.53 0.48 3.87 3.38 0.00 0.11 -4.94 105.19 110.63 1g72 n GLY 454 Ca -0.00 -0.26 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 1g72 n GLY 454 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g72 s LYS 455 N -0.84 3.74 0.42 1.61 3.01 -1.23 -4.83 119.74 121.61 1g72 s LYS 455 Ca 0.00 0.14 -0.16 0.00 -1.01 0.00 0.00 55.97 54.94 1g72 s LYS 455 Cb 0.00 -2.98 -0.09 0.00 -1.01 0.00 0.00 37.83 33.75 1g72 s LYS 455 CO 0.00 0.55 0.86 0.00 0.51 0.00 0.00 175.35 177.28 1g72 s ALA 456 N -1.42 3.18 -0.17 5.17 0.00 -1.26 -1.56 121.76 125.70 1g72 s ALA 456 Ca 0.34 0.14 0.03 0.00 0.00 0.00 0.00 51.96 52.46 1g72 s ALA 456 Cb -0.14 -2.95 -0.12 0.00 0.00 0.00 0.00 23.12 19.91 1g72 s ALA 456 CO 0.19 0.07 -0.12 1.63 0.00 0.00 0.00 175.76 177.53 1g72 n LYS 457 N -0.91 0.67 -3.65 0.00 5.02 0.11 -4.95 118.16 114.46 1g72 n LYS 457 Ca 0.05 0.08 -0.10 0.00 -2.02 0.00 0.00 58.31 56.33 1g72 n LYS 457 Cb 0.54 -1.35 -0.02 0.00 -0.02 0.00 0.00 35.03 34.17 1g72 n LYS 457 CO 0.00 0.00 0.00 1.67 -0.52 0.00 0.00 177.40 178.55 1g72 s TRP 458 N -2.35 -0.32 -0.01 2.13 1.48 -1.26 -5.01 118.94 113.60 1g72 s TRP 458 Ca -0.21 -0.01 -0.00 0.00 -1.06 0.00 0.00 56.10 54.81 1g72 s TRP 458 Cb 0.06 0.59 0.01 0.00 -1.16 0.00 0.00 33.47 32.96 1g72 s TRP 458 CO 0.43 -1.02 0.02 0.99 -4.06 0.00 0.00 176.95 173.32 1g72 s THR 459 N -3.84 -0.02 -0.14 0.66 2.01 -1.26 -2.10 115.64 110.95 1g72 s THR 459 Ca 0.07 0.07 0.02 0.00 0.31 0.00 0.00 61.69 62.15 1g72 s THR 459 Cb -0.03 -0.05 0.01 0.00 0.01 0.00 0.00 72.50 72.44 1g72 s THR 459 CO -0.03 0.03 -0.20 -0.75 -0.69 0.00 0.00 174.62 172.97 1g72 s LYS 460 N 0.34 2.86 0.20 4.92 2.20 0.29 -4.97 119.74 125.58 1g72 s LYS 460 Ca -0.03 -0.79 -0.15 0.00 -0.36 0.00 0.00 55.97 54.64 1g72 s LYS 460 Cb -0.04 -2.36 -0.08 0.00 -1.51 0.00 0.00 37.83 33.85 1g72 s LYS 460 CO -0.01 -0.06 0.62 -1.58 -0.36 0.00 0.00 175.35 173.96 1g72 s TRP 461 N 0.95 3.56 0.04 4.03 0.52 -1.26 -0.72 118.94 126.05 1g72 s TRP 461 Ca -0.05 1.14 0.05 0.00 0.02 0.00 0.00 56.10 57.27 1g72 s TRP 461 Cb -0.15 -2.44 -0.02 0.00 -1.15 0.00 0.00 33.47 29.71 1g72 s TRP 461 CO -0.04 0.33 -0.15 -1.21 0.02 0.00 0.00 176.95 175.90 1g72 s GLU 462 N -2.24 1.00 0.16 4.98 0.41 0.40 -4.95 118.70 118.45 1g72 s GLU 462 Ca 0.43 -0.77 -0.16 0.00 -0.41 0.00 0.00 54.97 54.06 1g72 s GLU 462 Cb -0.14 -1.02 0.06 0.00 -1.78 0.00 0.00 34.13 31.25 1g72 s GLU 462 CO 0.20 0.25 1.76 -0.22 -0.49 0.00 0.00 175.26 176.76 1g72 h LYS 463 N 4.96 0.32 -6.18 1.61 3.64 -1.94 -2.06 116.57 116.94 1g72 h LYS 463 Ca -0.38 -0.02 -0.52 0.00 -1.27 0.00 0.00 60.65 58.46 1g72 h LYS 463 Cb 1.18 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.86 1g72 h LYS 463 CO 0.44 0.21 -0.53 -0.06 -2.27 0.00 0.00 179.45 177.24 1g72 s PHE 464 N -6.16 2.90 0.38 1.91 0.40 -1.26 -1.28 117.98 114.87 1g72 s PHE 464 Ca -0.13 -0.23 -0.27 0.00 -0.60 0.00 0.00 56.93 55.70 1g72 s PHE 464 Cb 0.12 -1.50 -0.11 0.00 0.51 0.00 0.00 43.02 42.03 1g72 s PHE 464 CO 0.71 0.42 1.23 0.00 0.70 0.00 0.00 175.22 178.29 1g72 n ALA 465 N -1.17 1.08 -2.82 5.36 0.00 -1.22 -3.12 120.51 118.63 1g72 n ALA 465 Ca -0.05 0.31 -0.44 0.00 0.00 0.00 0.00 53.44 53.27 1g72 n ALA 465 Cb 0.59 -2.23 -0.00 0.00 0.00 0.00 0.00 19.45 17.81 1g72 n ALA 465 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g72 s ALA 466 N -1.15 3.71 0.12 0.00 0.00 -1.03 -4.42 121.76 118.99 1g72 s ALA 466 Ca 0.58 -3.15 -0.09 0.00 0.00 0.00 0.00 51.96 49.30 1g72 s ALA 466 Cb -0.55 -4.30 -0.12 0.00 0.00 0.00 0.00 23.12 18.16 1g72 s ALA 466 CO 0.60 -2.98 1.31 2.35 0.00 0.00 0.00 175.76 177.04 1g72 h TRP 467 N 7.48 0.88 0.02 0.00 2.91 -1.86 -3.37 115.95 122.02 1g72 h TRP 467 Ca 0.34 -0.42 -0.20 0.00 1.13 0.00 0.00 58.89 59.73 1g72 h TRP 467 Cb 0.89 -0.12 -0.01 0.00 -0.51 0.00 0.00 29.16 29.40 1g72 h TRP 467 CO 1.21 1.24 -0.93 0.78 -1.03 0.00 0.00 178.44 179.71 1g72 h GLY 468 N 0.79 0.18 0.00 2.65 0.00 -1.76 -2.92 103.07 102.00 1g72 h GLY 468 Ca -0.07 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.92 1g72 h GLY 468 CO 0.16 0.30 0.00 0.61 0.00 0.00 0.00 176.54 177.62 1g72 n GLY 469 N 1.01 -0.18 3.11 4.60 0.00 -1.26 -1.99 105.19 110.47 1g72 n GLY 469 Ca -0.03 -2.23 -0.08 0.00 0.00 0.00 0.00 46.02 43.68 1g72 n GLY 469 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1g72 s THR 470 N 0.00 0.18 -0.03 2.61 -4.23 0.34 -4.42 115.64 110.09 1g72 s THR 470 Ca 0.00 -1.52 0.06 0.00 -1.18 0.00 0.00 61.69 59.05 1g72 s THR 470 Cb 0.00 -1.32 -0.01 0.00 1.34 0.00 0.00 72.50 72.50 1g72 s THR 470 CO 0.00 -0.84 -0.21 -0.22 -0.54 0.00 0.00 174.62 172.81 1g72 s LEU 471 N -2.72 2.01 -0.12 4.79 2.96 0.52 -3.16 118.68 122.96 1g72 s LEU 471 Ca 0.04 -0.40 0.02 0.00 -0.22 0.00 0.00 54.13 53.56 1g72 s LEU 471 Cb 0.05 -1.12 -0.01 0.00 0.50 0.00 0.00 46.19 45.62 1g72 s LEU 471 CO -0.09 0.23 -0.18 -0.47 -1.32 0.00 0.00 176.35 174.52 1g72 s TYR 472 N -0.27 2.71 0.02 5.38 5.04 -1.20 -0.06 117.35 128.96 1g72 s TYR 472 Ca 0.02 -0.88 0.09 0.00 -2.44 0.00 0.00 57.07 53.85 1g72 s TYR 472 Cb -0.10 -1.80 -0.03 0.00 0.35 0.00 0.00 41.96 40.38 1g72 s TYR 472 CO 0.01 -0.35 -0.25 0.95 -1.34 0.00 0.00 175.55 174.57 1g72 s THR 473 N 0.43 2.20 0.34 4.34 -4.23 -0.88 -1.30 115.64 116.54 1g72 s THR 473 Ca -0.13 -1.26 0.17 0.00 -1.18 0.00 0.00 61.69 59.29 1g72 s THR 473 Cb -0.17 -1.83 0.17 0.00 1.34 0.00 0.00 72.50 72.01 1g72 s THR 473 CO 0.06 0.44 1.45 0.50 -0.54 0.00 0.00 174.62 176.53 1g72 h LYS 474 N 5.01 0.00 0.00 3.99 3.64 -1.05 -0.32 116.57 127.85 1g72 h LYS 474 Ca -0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1g72 h LYS 474 Cb 1.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1g72 h LYS 474 CO 0.45 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 178.04 1g72 n GLY 475 N -1.28 -0.49 1.17 5.01 0.00 -1.25 -4.80 105.19 103.56 1g72 n GLY 475 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1g72 n GLY 475 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g72 n GLY 476 N -0.03 0.93 3.18 -0.02 0.00 -0.15 -2.95 105.19 106.16 1g72 n GLY 476 Ca 0.11 -0.53 -0.24 0.00 0.00 0.00 0.00 46.02 45.36 1g72 n GLY 476 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1g72 s LEU 477 N -0.49 2.10 -0.28 0.99 1.43 -1.08 -2.37 118.68 118.98 1g72 s LEU 477 Ca 0.00 -0.40 -0.04 0.00 -1.03 0.00 0.00 54.13 52.66 1g72 s LEU 477 Cb 0.00 -0.86 0.03 0.00 0.03 0.00 0.00 46.19 45.38 1g72 s LEU 477 CO 0.00 0.17 0.01 -0.69 0.23 0.00 0.00 176.35 176.07 1g72 s VAL 478 N -0.60 3.35 -0.08 -1.59 1.01 -0.23 -2.07 120.40 120.19 1g72 s VAL 478 Ca 0.06 -0.98 -0.04 0.00 0.00 0.00 0.00 61.98 61.01 1g72 s VAL 478 Cb -0.07 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 1g72 s VAL 478 CO 0.00 0.07 0.10 0.26 0.00 0.00 0.00 175.10 175.53 1g72 s TRP 479 N 1.38 3.44 -0.00 5.22 0.52 0.92 -0.68 118.94 129.73 1g72 s TRP 479 Ca -0.00 0.38 -0.28 0.00 0.02 0.00 0.00 56.10 56.22 1g72 s TRP 479 Cb -0.18 -1.86 0.08 0.00 -1.15 0.00 0.00 33.47 30.37 1g72 s TRP 479 CO -0.01 0.64 0.74 1.52 0.02 0.00 0.00 176.95 179.86 1g72 s TYR 480 N -1.05 -0.53 0.09 -1.98 -0.85 -0.71 -0.35 117.35 111.97 1g72 s TYR 480 Ca 0.17 0.69 0.04 0.00 -0.52 0.00 0.00 57.07 57.44 1g72 s TYR 480 Cb -0.12 0.48 -0.04 0.00 0.38 0.00 0.00 41.96 42.66 1g72 s TYR 480 CO 0.07 -0.62 0.06 0.00 -1.52 0.00 0.00 175.55 173.54 1g72 s ALA 481 N -2.17 3.49 0.23 9.51 0.00 -1.26 -0.58 121.76 130.98 1g72 s ALA 481 Ca -0.04 -1.06 0.09 0.00 0.00 0.00 0.00 51.96 50.95 1g72 s ALA 481 Cb -0.01 -1.36 -0.04 0.00 0.00 0.00 0.00 23.12 21.72 1g72 s ALA 481 CO -0.01 0.71 0.01 0.95 0.00 0.00 0.00 175.76 177.43 1g72 s THR 482 N -1.40 3.63 0.46 0.00 -4.23 0.11 -4.61 115.64 109.61 1g72 s THR 482 Ca 0.28 -1.69 0.22 0.00 -1.18 0.00 0.00 61.69 59.33 1g72 s THR 482 Cb -0.12 -2.90 0.26 0.00 1.34 0.00 0.00 72.50 71.08 1g72 s THR 482 CO 0.21 -0.28 2.08 -0.07 -0.54 0.00 0.00 174.62 176.02 1g72 h LEU 483 N 2.15 0.00 -0.27 4.79 3.38 -1.77 -1.73 115.31 121.86 1g72 h LEU 483 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1g72 h LEU 483 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1g72 h LEU 483 CO 0.59 0.12 0.00 -0.90 0.09 0.00 0.00 178.44 178.34 1g72 n ASP 484 N -3.99 0.41 0.00 -0.43 3.85 -1.26 -3.68 116.55 111.45 1g72 n ASP 484 Ca -0.02 -1.44 0.00 0.00 -0.71 0.00 0.00 54.79 52.62 1g72 n ASP 484 Cb 0.21 -0.02 0.00 0.00 -1.35 0.00 0.00 41.12 39.95 1g72 n ASP 484 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1g72 n GLY 485 N 0.90 1.18 3.64 6.12 0.00 -0.86 -4.63 105.19 111.53 1g72 n GLY 485 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1g72 n GLY 485 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1g72 s TYR 486 N -2.00 2.90 -0.16 1.61 1.51 -1.25 0.27 117.35 120.23 1g72 s TYR 486 Ca 0.00 -0.06 -0.04 0.00 -1.01 0.00 0.00 57.07 55.96 1g72 s TYR 486 Cb 0.00 -1.52 -0.03 0.00 -0.11 0.00 0.00 41.96 40.30 1g72 s TYR 486 CO 0.00 0.45 -0.03 -1.17 -1.11 0.00 0.00 175.55 173.69 1g72 s LEU 487 N -2.12 3.32 0.14 -1.29 2.96 -0.46 -0.71 118.68 120.52 1g72 s LEU 487 Ca 0.23 -0.10 0.05 0.00 -0.22 0.00 0.00 54.13 54.10 1g72 s LEU 487 Cb -0.11 -1.80 -0.04 0.00 0.50 0.00 0.00 46.19 44.73 1g72 s LEU 487 CO 0.15 0.18 -0.13 -0.54 -1.32 0.00 0.00 176.35 174.69 1g72 s LYS 488 N 0.33 1.06 -0.06 1.98 1.02 0.26 -1.12 119.74 123.20 1g72 s LYS 488 Ca -0.03 -1.34 0.02 0.00 0.02 0.00 0.00 55.97 54.63 1g72 s LYS 488 Cb -0.14 -0.81 0.02 0.00 -0.52 0.00 0.00 37.83 36.38 1g72 s LYS 488 CO 0.03 0.14 -0.10 0.00 -0.92 0.00 0.00 175.35 174.50 1g72 s ALA 489 N -2.64 1.09 0.14 5.17 0.00 -0.45 -1.74 121.76 123.32 1g72 s ALA 489 Ca 0.13 -0.32 0.10 0.00 0.00 0.00 0.00 51.96 51.86 1g72 s ALA 489 Cb -0.02 -0.55 -0.04 0.00 0.00 0.00 0.00 23.12 22.51 1g72 s ALA 489 CO 0.02 0.03 -0.20 -0.51 0.00 0.00 0.00 175.76 175.11 1g72 s LEU 490 N 0.83 2.63 -0.08 0.00 1.43 0.14 -0.93 118.68 122.70 1g72 s LEU 490 Ca -0.12 -0.63 -0.30 0.00 -1.03 0.00 0.00 54.13 52.05 1g72 s LEU 490 Cb -0.15 -1.45 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 1g72 s LEU 490 CO 0.02 0.16 1.50 -0.62 0.23 0.00 0.00 176.35 177.65 1g72 s ASP 491 N -2.27 6.77 0.29 2.29 -1.08 0.33 -1.07 116.67 121.94 1g72 s ASP 491 Ca 0.18 2.06 0.23 0.00 -0.52 0.00 0.00 52.55 54.50 1g72 s ASP 491 Cb -0.10 -2.54 1.07 0.00 -1.46 0.00 0.00 42.92 39.90 1g72 s ASP 491 CO 0.10 -0.85 1.69 -0.46 0.52 0.00 0.00 175.17 176.17 1g72 n ASN 492 N 6.73 0.63 -0.02 -0.34 2.04 -1.00 -0.68 115.26 122.62 1g72 n ASN 492 Ca 0.16 0.71 -0.17 0.00 -0.44 0.00 0.00 54.58 54.84 1g72 n ASN 492 Cb 0.43 -0.82 -0.09 0.00 -2.53 0.00 0.00 39.78 36.77 1g72 n ASN 492 CO 0.00 0.00 0.00 0.50 -0.44 0.00 0.00 177.26 177.32 1g72 h LYS 493 N 0.00 0.60 0.00 -3.83 3.64 -1.89 -3.40 116.57 111.69 1g72 h LYS 493 Ca 0.00 -0.52 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 1g72 h LYS 493 Cb 0.20 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1g72 h LYS 493 CO 0.00 1.14 0.00 -0.40 -2.27 0.00 0.00 179.45 177.92 1g72 n ASP 494 N -4.12 0.37 -0.01 4.20 3.85 -1.15 -4.97 116.55 114.73 1g72 n ASP 494 Ca -0.08 -1.11 -0.00 0.00 -0.71 0.00 0.00 54.79 52.88 1g72 n ASP 494 Cb 0.67 0.00 -0.00 0.00 -1.35 0.00 0.00 41.12 40.44 1g72 n ASP 494 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1g72 n GLY 495 N -0.06 0.45 3.71 6.12 0.00 0.14 -4.83 105.19 110.73 1g72 n GLY 495 Ca 0.00 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 1g72 n GLY 495 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1g72 s LYS 496 N -0.32 4.25 -0.20 1.61 2.20 -1.25 -4.68 119.74 121.35 1g72 s LYS 496 Ca 0.00 2.24 -0.29 0.00 -0.36 0.00 0.00 55.97 57.56 1g72 s LYS 496 Cb 0.00 -3.27 -0.01 0.00 -1.51 0.00 0.00 37.83 33.04 1g72 s LYS 496 CO 0.00 -0.57 1.25 -2.00 -0.36 0.00 0.00 175.35 173.67 1g72 s GLU 497 N 1.41 4.17 -0.07 4.03 2.12 -1.26 -0.51 118.70 128.59 1g72 s GLU 497 Ca 0.68 1.55 0.19 0.00 0.36 0.00 0.00 54.97 57.75 1g72 s GLU 497 Cb -0.40 -3.78 -0.28 0.00 0.26 0.00 0.00 34.13 29.93 1g72 s GLU 497 CO 0.31 -0.78 0.32 1.28 -0.54 0.00 0.00 175.26 175.85 1g72 n LEU 498 N 6.79 0.00 -3.48 2.70 4.77 -0.11 -4.96 117.00 122.71 1g72 n LEU 498 Ca 0.14 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.98 1g72 n LEU 498 Cb 0.45 0.14 -0.04 0.00 -2.33 0.00 0.00 43.42 41.64 1g72 n LEU 498 CO 0.57 0.14 0.47 0.86 -1.33 0.00 0.00 177.39 178.09 1g72 s TRP 499 N -3.10 -0.57 0.09 -1.77 -0.00 -1.16 -4.61 118.94 107.82 1g72 s TRP 499 Ca -0.08 0.70 -0.25 0.00 -0.00 0.00 0.00 56.10 56.47 1g72 s TRP 499 Cb 0.11 0.48 0.08 0.00 -0.00 0.00 0.00 33.47 34.13 1g72 s TRP 499 CO 0.80 -0.68 0.67 0.54 -0.00 0.00 0.00 176.95 178.28 1g72 s ASN 500 N -1.91 -0.55 -0.08 5.86 2.20 -1.26 -1.35 114.94 117.85 1g72 s ASN 500 Ca -0.04 0.14 -0.07 0.00 -0.94 0.00 0.00 52.86 51.96 1g72 s ASN 500 Cb -0.01 0.55 0.03 0.00 -2.00 0.00 0.00 41.25 39.82 1g72 s ASN 500 CO -0.01 -0.84 0.21 0.12 -2.94 0.00 0.00 177.10 173.64 1g72 s PHE 501 N -3.11 -0.24 -0.67 1.54 5.36 -0.28 -4.97 117.98 115.61 1g72 s PHE 501 Ca -0.01 0.60 -0.23 0.00 -0.96 0.00 0.00 56.93 56.33 1g72 s PHE 501 Cb -0.01 0.06 0.06 0.00 -0.34 0.00 0.00 43.02 42.79 1g72 s PHE 501 CO -0.08 -0.14 1.02 0.21 -1.46 0.00 0.00 175.22 174.77 1g72 s LYS 502 N 0.41 3.14 0.96 10.12 2.47 -1.26 -1.36 119.74 134.22 1g72 s LYS 502 Ca -0.02 -0.69 -0.13 0.00 -1.56 0.00 0.00 55.97 53.56 1g72 s LYS 502 Cb -0.04 -4.21 0.17 0.00 -1.46 0.00 0.00 37.83 32.29 1g72 s LYS 502 CO -0.02 -1.86 1.14 -1.64 0.16 0.00 0.00 175.35 173.13 1g72 s MET 503 N 4.35 0.70 0.36 4.03 -1.94 0.14 -4.96 119.30 121.98 1g72 s MET 503 Ca 0.25 0.26 0.07 0.00 -1.71 0.00 0.00 55.69 54.56 1g72 s MET 503 Cb -0.15 -1.79 0.69 0.00 2.01 0.00 0.00 34.83 35.59 1g72 s MET 503 CO 0.12 -2.49 1.90 -1.35 -0.01 0.00 0.00 175.02 173.18 1g72 h PRO 504 N -1.71 0.38 -4.03 2.03 0.11 -1.96 -3.46 132.00 123.37 1g72 h PRO 504 Ca -0.51 -0.08 -0.13 0.00 0.11 0.00 0.00 66.00 65.39 1g72 h PRO 504 Cb 1.32 -0.05 -0.13 0.00 0.11 0.00 0.00 31.00 32.25 1g72 h PRO 504 CO 0.57 0.46 -0.37 0.45 -0.21 0.00 0.00 178.00 178.91 1g72 s SER 505 N -6.81 0.06 0.74 -2.05 0.15 -1.26 -4.69 113.70 99.84 1g72 s SER 505 Ca -0.07 -1.02 -0.15 0.00 0.70 0.00 0.00 55.95 55.42 1g72 s SER 505 Cb 0.15 0.44 0.04 0.00 -1.71 0.00 0.00 66.02 64.95 1g72 s SER 505 CO 0.75 -0.92 1.22 -0.83 1.20 0.00 0.00 173.24 174.66 1g72 s GLY 506 N -3.02 2.39 -0.09 9.45 0.00 -1.24 -4.10 107.32 110.70 1g72 s GLY 506 Ca 0.23 0.93 0.01 0.00 0.00 0.00 0.00 44.72 45.89 1g72 s GLY 506 CO 0.04 1.35 -0.10 -0.32 0.00 0.00 0.00 173.10 174.07 1g72 s GLY 507 N -1.95 1.62 -0.08 0.20 0.00 -0.71 -0.14 107.32 106.26 1g72 s GLY 507 Ca 0.75 -0.90 0.11 0.00 0.00 0.00 0.00 44.72 44.68 1g72 s GLY 507 CO 0.46 -0.49 1.07 0.29 0.00 0.00 0.00 173.10 174.43 1g72 n ILE 508 N 2.75 1.41 -4.44 0.90 -5.35 -1.26 -4.20 119.36 109.17 1g72 n ILE 508 Ca -0.18 -1.64 -0.31 0.00 -0.27 0.00 0.00 62.75 60.36 1g72 n ILE 508 Cb 0.53 0.09 -0.05 0.00 -1.74 0.00 0.00 39.64 38.46 1g72 n ILE 508 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1g72 s GLY 509 N -2.06 2.81 -0.01 3.28 0.00 -1.26 -4.12 107.32 105.96 1g72 s GLY 509 Ca 0.19 -0.60 0.00 0.00 0.00 0.00 0.00 44.72 44.30 1g72 s GLY 509 CO 0.02 -2.11 0.03 -0.45 0.00 0.00 0.00 173.10 170.59 1g72 s SER 510 N -4.04 5.35 0.74 1.64 0.15 -1.20 -4.38 113.70 111.96 1g72 s SER 510 Ca 0.15 0.07 -0.13 0.00 0.70 0.00 0.00 55.95 56.74 1g72 s SER 510 Cb -0.00 -1.47 0.04 0.00 -1.71 0.00 0.00 66.02 62.88 1g72 s SER 510 CO 0.09 0.29 1.13 -2.84 1.20 0.00 0.00 173.24 173.11 1g72 s PRO 511 N -1.54 2.28 0.31 5.44 0.02 -1.26 -4.58 135.00 135.68 1g72 s PRO 511 Ca 0.20 1.42 0.03 0.00 0.02 0.00 0.00 61.00 62.66 1g72 s PRO 511 Cb -0.12 -1.88 -0.05 0.00 0.02 0.00 0.00 34.50 32.47 1g72 s PRO 511 CO 0.11 -1.66 0.11 0.00 -0.33 0.00 0.00 177.00 175.23 1g72 s MET 512 N -4.37 1.60 0.06 5.54 0.23 -0.19 -4.66 119.30 117.51 1g72 s MET 512 Ca 0.67 -1.91 -0.09 0.00 -1.03 0.00 0.00 55.69 53.32 1g72 s MET 512 Cb -0.21 -0.41 0.00 0.00 -1.53 0.00 0.00 34.83 32.68 1g72 s MET 512 CO 0.49 -0.35 0.20 -0.08 -2.03 0.00 0.00 175.02 173.25 1g72 s THR 513 N -3.52 0.12 0.20 3.16 -1.32 -1.26 -1.00 115.64 112.02 1g72 s THR 513 Ca 0.35 -1.00 -0.23 0.00 -1.21 0.00 0.00 61.69 59.59 1g72 s THR 513 Cb 0.06 -1.09 0.05 0.00 -1.51 0.00 0.00 72.50 70.01 1g72 s THR 513 CO 0.15 -0.55 0.89 -0.72 -2.21 0.00 0.00 174.62 172.18 1g72 s TYR 514 N -3.11 -0.13 0.05 9.09 -0.85 -0.89 -4.69 117.35 116.82 1g72 s TYR 514 Ca -0.01 -0.24 0.06 0.00 -0.52 0.00 0.00 57.07 56.37 1g72 s TYR 514 Cb 0.01 0.67 -0.02 0.00 0.38 0.00 0.00 41.96 43.00 1g72 s TYR 514 CO -0.07 -0.98 -0.18 -1.54 -1.52 0.00 0.00 175.55 171.27 1g72 s SER 515 N -2.96 2.13 -0.09 -0.18 1.04 -0.68 -0.41 113.70 112.56 1g72 s SER 515 Ca 0.12 -0.51 -0.04 0.00 0.48 0.00 0.00 55.95 56.00 1g72 s SER 515 Cb -0.03 -0.16 0.05 0.00 0.10 0.00 0.00 66.02 65.98 1g72 s SER 515 CO 0.04 0.09 0.18 0.12 0.98 0.00 0.00 173.24 174.66 1g72 s PHE 516 N -0.86 -0.23 -1.38 5.02 5.36 -0.49 -4.79 117.98 120.60 1g72 s PHE 516 Ca 0.05 0.65 -0.03 0.00 -0.96 0.00 0.00 56.93 56.63 1g72 s PHE 516 Cb -0.09 -0.11 0.02 0.00 -0.34 0.00 0.00 43.02 42.51 1g72 s PHE 516 CO 0.02 -0.24 0.69 1.63 -1.46 0.00 0.00 175.22 175.86 1g72 n LYS 517 N 4.70 -4.64 -0.90 10.12 5.02 -1.26 -1.82 118.16 129.39 1g72 n LYS 517 Ca -0.17 0.56 0.00 0.00 -2.02 0.00 0.00 58.31 56.68 1g72 n LYS 517 Cb 0.51 -5.09 0.00 0.00 -0.02 0.00 0.00 35.03 30.43 1g72 n LYS 517 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1g72 n GLY 518 N -1.68 0.33 3.41 0.72 0.00 -1.26 -5.00 105.19 101.71 1g72 n GLY 518 Ca -0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 1g72 n GLY 518 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1g72 s LYS 519 N -0.86 3.09 0.04 1.61 2.20 -0.75 -5.10 119.74 119.96 1g72 s LYS 519 Ca 0.00 -0.69 -0.26 0.00 -0.36 0.00 0.00 55.97 54.66 1g72 s LYS 519 Cb 0.00 -2.55 -0.05 0.00 -1.51 0.00 0.00 37.83 33.72 1g72 s LYS 519 CO 0.00 0.35 0.80 -1.14 -0.36 0.00 0.00 175.35 175.01 1g72 s GLN 520 N -0.02 4.52 0.09 4.03 0.74 -1.26 -1.40 119.66 126.36 1g72 s GLN 520 Ca -0.03 1.12 0.09 0.00 0.05 0.00 0.00 55.36 56.59 1g72 s GLN 520 Cb -0.14 -3.38 -0.03 0.00 1.10 0.00 0.00 33.01 30.55 1g72 s GLN 520 CO 0.04 0.22 -0.23 0.71 -0.55 0.00 0.00 175.29 175.48 1g72 s TYR 521 N 0.15 1.96 -0.13 1.67 1.51 0.46 -4.47 117.35 118.49 1g72 s TYR 521 Ca 0.41 -0.40 0.01 0.00 -1.01 0.00 0.00 57.07 56.08 1g72 s TYR 521 Cb -0.21 -1.10 -0.01 0.00 -0.11 0.00 0.00 41.96 40.54 1g72 s TYR 521 CO 0.24 0.20 -0.16 0.42 -1.11 0.00 0.00 175.55 175.14 1g72 s ILE 522 N -1.02 2.71 -0.02 2.71 -1.09 0.00 -2.09 121.20 122.41 1g72 s ILE 522 Ca 0.09 -0.77 0.08 0.00 -2.23 0.00 0.00 60.65 57.81 1g72 s ILE 522 Cb -0.10 -2.12 -0.02 0.00 -1.58 0.00 0.00 42.46 38.64 1g72 s ILE 522 CO 0.04 0.53 -0.25 -0.83 -1.23 0.00 0.00 174.94 173.20 1g72 s GLY 523 N 0.53 1.22 -0.05 6.18 0.00 -0.17 -0.38 107.32 114.64 1g72 s GLY 523 Ca -0.10 -1.08 -0.04 0.00 0.00 0.00 0.00 44.72 43.50 1g72 s GLY 523 CO 0.04 -0.90 0.13 -0.45 0.00 0.00 0.00 173.10 171.92 1g72 s SER 524 N -0.61 -0.12 0.69 1.64 0.15 -0.67 -1.03 113.70 113.75 1g72 s SER 524 Ca 0.10 0.26 -0.11 0.00 0.70 0.00 0.00 55.95 56.89 1g72 s SER 524 Cb -0.10 0.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.44 1g72 s SER 524 CO -0.01 -0.08 1.06 -0.04 1.20 0.00 0.00 173.24 175.38 1g72 s MET 525 N 0.44 3.02 0.03 5.44 -1.94 -1.26 -1.45 119.30 123.59 1g72 s MET 525 Ca -0.03 0.74 -0.04 0.00 -1.71 0.00 0.00 55.69 54.64 1g72 s MET 525 Cb -0.05 -2.02 -0.01 0.00 2.01 0.00 0.00 34.83 34.76 1g72 s MET 525 CO -0.02 -0.98 0.06 1.52 -0.01 0.00 0.00 175.02 175.59 1g72 s TYR 526 N -3.17 0.23 0.00 -0.03 -0.85 0.13 -4.65 117.35 109.00 1g72 s TYR 526 Ca 0.57 -0.52 0.00 0.00 -0.52 0.00 0.00 57.07 56.60 1g72 s TYR 526 Cb -0.12 -0.17 0.00 0.00 0.38 0.00 0.00 41.96 42.05 1g72 s TYR 526 CO 0.54 -0.32 0.00 0.41 -1.52 0.00 0.00 175.55 174.66 1g72 n GLY 527 N 0.96 2.24 3.77 5.49 0.00 0.80 -1.83 105.19 116.61 1g72 n GLY 527 Ca -0.20 -0.39 -0.34 0.00 0.00 0.00 0.00 46.02 45.09 1g72 n GLY 527 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g72 s VAL 528 N 0.00 3.09 -0.65 1.61 0.11 -0.67 -1.88 120.40 122.01 1g72 s VAL 528 Ca 0.00 0.58 0.00 0.00 -2.93 0.00 0.00 61.98 59.63 1g72 s VAL 528 Cb 0.00 -3.14 0.00 0.00 -1.53 0.00 0.00 36.38 31.71 1g72 s VAL 528 CO 0.00 -0.24 0.00 0.61 -3.33 0.00 0.00 175.10 172.14 1g72 n GLY 529 N -0.13 -0.70 6.77 6.54 0.00 -1.26 -3.17 105.19 113.25 1g72 n GLY 529 Ca 0.11 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1g72 n GLY 529 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g72 n GLY 530 N 0.00 -1.49 0.21 -0.02 0.00 -1.26 -2.42 105.19 100.20 1g72 n GLY 530 Ca 0.00 -1.20 -0.04 0.00 0.00 0.00 0.00 46.02 44.79 1g72 n GLY 530 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1g72 h TRP 531 N -0.03 0.46 -0.35 1.61 2.91 -1.96 -2.35 115.95 116.24 1g72 h TRP 531 Ca 0.00 0.02 0.07 0.00 1.13 0.00 0.00 58.89 60.12 1g72 h TRP 531 Cb 0.03 -0.13 -0.02 0.00 -0.51 0.00 0.00 29.16 28.53 1g72 h TRP 531 CO 0.00 0.21 0.24 -1.35 -1.03 0.00 0.00 178.44 176.51 1g72 h PRO 532 N 0.48 0.14 -0.73 2.65 0.11 -1.95 -2.75 132.00 129.96 1g72 h PRO 532 Ca 0.24 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.34 1g72 h PRO 532 Cb 0.18 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.26 1g72 h PRO 532 CO -0.18 0.09 0.00 0.41 -0.21 0.00 0.00 178.00 178.11 1g72 n GLY 533 N -1.56 2.52 0.35 -0.55 0.00 -0.90 -4.54 105.19 100.51 1g72 n GLY 533 Ca 0.05 -0.79 0.08 0.00 0.00 0.00 0.00 46.02 45.35 1g72 n GLY 533 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1g72 h VAL 534 N 4.24 0.99 0.00 1.61 -1.51 -1.28 0.29 116.25 120.58 1g72 h VAL 534 Ca 0.00 -0.23 -0.00 0.00 -1.23 0.00 0.00 66.70 65.24 1g72 h VAL 534 Cb 1.00 0.27 0.00 0.00 -2.13 0.00 0.00 31.29 30.43 1g72 h VAL 534 CO 0.01 0.12 -0.00 1.23 -1.23 0.00 0.00 177.57 177.70 1g72 h GLY 535 N 0.67 -0.00 0.70 5.19 0.00 -1.83 -0.72 103.07 107.07 1g72 h GLY 535 Ca 0.30 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.63 1g72 h GLY 535 CO -0.10 -0.00 -0.01 -2.00 0.00 0.00 0.00 176.54 174.44 1g72 h LEU 536 N -0.05 -0.02 -0.94 3.11 5.85 -1.64 -0.01 115.31 121.62 1g72 h LEU 536 Ca -0.00 -0.29 0.01 0.00 0.84 0.00 0.00 57.88 58.44 1g72 h LEU 536 Cb 0.05 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 1g72 h LEU 536 CO 0.00 0.28 0.63 0.58 -0.34 0.00 0.00 178.44 179.59 1g72 h VAL 537 N -0.32 1.24 -0.43 1.05 2.07 -0.43 -3.11 116.25 116.32 1g72 h VAL 537 Ca -0.00 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1g72 h VAL 537 Cb 0.31 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 29.93 1g72 h VAL 537 CO 0.00 0.23 0.00 0.49 0.02 0.00 0.00 177.57 178.32 1g72 n PHE 538 N -4.43 0.83 -3.68 1.57 3.01 -0.28 -4.99 117.46 109.50 1g72 n PHE 538 Ca 0.11 -0.60 -0.22 0.00 1.01 0.00 0.00 57.45 57.74 1g72 n PHE 538 Cb 0.01 -0.13 0.05 0.00 -0.01 0.00 0.00 39.48 39.40 1g72 n PHE 538 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1g72 n ASP 539 N 0.54 -2.24 -4.86 4.37 8.00 -0.40 -4.99 116.55 116.98 1g72 n ASP 539 Ca 0.18 -0.76 -0.36 0.00 0.71 0.00 0.00 54.79 54.56 1g72 n ASP 539 Cb 0.64 -4.30 -0.06 0.00 -0.02 0.00 0.00 41.12 37.39 1g72 n ASP 539 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1g72 s LEU 540 N -6.76 4.40 0.00 0.64 1.43 -0.15 -4.99 118.68 113.26 1g72 s LEU 540 Ca 0.14 0.84 0.00 0.00 -1.03 0.00 0.00 54.13 54.09 1g72 s LEU 540 Cb -0.07 -2.78 0.00 0.00 0.03 0.00 0.00 46.19 43.37 1g72 s LEU 540 CO 0.79 0.24 0.00 0.35 0.23 0.00 0.00 176.35 177.97 1g72 n THR 541 N 1.31 0.00 -1.85 5.49 -2.24 -1.26 -4.73 114.28 111.00 1g72 n THR 541 Ca -0.11 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.25 1g72 n THR 541 Cb 0.52 -0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 68.43 1g72 n THR 541 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1g72 s ASP 542 N -2.43 6.25 0.61 3.42 3.68 -1.26 -4.85 116.67 122.09 1g72 s ASP 542 Ca 0.00 2.11 0.29 0.00 2.13 0.00 0.00 52.55 57.08 1g72 s ASP 542 Cb 0.00 -2.53 1.59 0.00 -1.45 0.00 0.00 42.92 40.53 1g72 s ASP 542 CO 0.00 -1.29 1.97 1.55 0.13 0.00 0.00 175.17 177.53 1g72 h PRO 543 N 11.42 0.00 0.00 4.34 0.13 -1.94 0.14 132.00 146.08 1g72 h PRO 543 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1g72 h PRO 543 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1g72 h PRO 543 CO 0.97 0.00 -0.58 -1.13 -0.23 0.00 0.00 178.00 177.03 1g72 n SER 544 N -3.50 0.55 -4.66 1.44 3.41 -1.26 -1.59 113.62 108.01 1g72 n SER 544 Ca 0.04 -0.20 -0.29 0.00 -0.26 0.00 0.00 58.87 58.16 1g72 n SER 544 Cb 0.49 0.30 0.18 0.00 -0.26 0.00 0.00 64.21 64.92 1g72 n SER 544 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1g72 s ALA 545 N -3.05 0.90 -1.44 7.33 0.00 0.49 -1.79 121.76 124.20 1g72 s ALA 545 Ca 0.09 -0.41 -0.03 0.00 0.00 0.00 0.00 51.96 51.62 1g72 s ALA 545 Cb 0.16 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 20.19 1g72 s ALA 545 CO 0.72 -2.90 0.44 0.41 0.00 0.00 0.00 175.76 174.43 1g72 n GLY 546 N -1.11 -0.40 3.81 0.00 0.00 -1.26 -1.87 105.19 104.36 1g72 n GLY 546 Ca 0.05 0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 1g72 n GLY 546 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1g72 n LEU 547 N -3.47 -2.63 0.00 0.99 4.77 -1.24 -1.67 117.00 113.75 1g72 n LEU 547 Ca -0.13 -0.70 0.00 0.00 -0.03 0.00 0.00 56.01 55.15 1g72 n LEU 547 Cb 0.62 -2.63 0.00 0.00 -2.33 0.00 0.00 43.42 39.08 1g72 n LEU 547 CO 0.39 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.54 1g72 n GLY 548 N -1.71 2.71 0.24 -0.72 0.00 -0.74 -4.76 105.19 100.20 1g72 n GLY 548 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 1g72 n GLY 548 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g72 h ALA 549 N 0.00 1.08 -0.54 4.61 0.00 -1.30 -3.29 119.26 119.81 1g72 h ALA 549 Ca 0.00 -0.34 0.11 0.00 0.00 0.00 0.00 54.91 54.68 1g72 h ALA 549 Cb 0.00 -0.13 -0.09 0.00 0.00 0.00 0.00 17.79 17.57 1g72 h ALA 549 CO 0.00 0.56 0.00 0.28 0.00 0.00 0.00 179.25 180.09 1g72 h VAL 550 N 0.47 0.57 -0.67 0.00 2.07 -1.68 -1.96 116.25 115.04 1g72 h VAL 550 Ca 0.07 -0.04 -0.08 0.00 0.82 0.00 0.00 66.70 67.47 1g72 h VAL 550 Cb 0.66 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 1g72 h VAL 550 CO 0.05 0.02 0.10 1.23 0.02 0.00 0.00 177.57 178.99 1g72 h GLY 551 N 0.12 1.21 1.20 2.17 0.00 -1.37 -2.61 103.07 103.79 1g72 h GLY 551 Ca 0.28 -0.81 -0.08 0.00 0.00 0.00 0.00 47.33 46.72 1g72 h GLY 551 CO -0.46 0.75 0.04 0.00 0.00 0.00 0.00 176.54 176.87 1g72 h ALA 552 N 1.05 0.98 -0.67 3.60 0.00 -1.50 -3.18 119.26 119.54 1g72 h ALA 552 Ca 0.20 -0.28 -0.26 0.00 0.00 0.00 0.00 54.91 54.57 1g72 h ALA 552 Cb 0.46 -0.22 -0.16 0.00 0.00 0.00 0.00 17.79 17.87 1g72 h ALA 552 CO 0.01 0.63 0.27 1.19 0.00 0.00 0.00 179.25 181.35 1g72 n PHE 553 N -4.20 2.16 0.10 0.00 3.72 -0.79 -4.68 117.46 113.76 1g72 n PHE 553 Ca 0.03 -1.42 0.17 0.00 -0.05 0.00 0.00 57.45 56.18 1g72 n PHE 553 Cb 0.31 -0.67 0.71 0.00 -0.94 0.00 0.00 39.48 38.89 1g72 n PHE 553 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 176.76 176.78 1g72 h ARG 554 N 1.78 0.00 0.00 -1.08 0.11 -1.45 -1.56 114.38 112.18 1g72 h ARG 554 Ca 0.33 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.41 1g72 h ARG 554 Cb 2.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.32 1g72 h ARG 554 CO 0.70 0.00 -0.21 0.39 0.10 0.00 0.00 179.97 180.95 1g72 n GLU 555 N -4.25 0.28 -0.26 0.08 1.02 -1.26 -4.13 120.64 112.12 1g72 n GLU 555 Ca 0.05 0.17 0.05 0.00 -0.02 0.00 0.00 57.16 57.42 1g72 n GLU 555 Cb 0.44 -1.77 0.19 0.00 -0.02 0.00 0.00 31.44 30.29 1g72 n GLU 555 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1g72 h LEU 556 N 0.00 0.28 0.00 -4.62 5.85 -1.65 0.42 115.31 115.59 1g72 h LEU 556 Ca 0.00 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1g72 h LEU 556 Cb 0.74 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.86 1g72 h LEU 556 CO 0.00 0.10 0.00 0.00 -0.34 0.00 0.00 178.44 178.20 1g72 n GLN 557 N -5.01 0.06 0.00 1.25 10.64 -1.26 -0.83 117.38 122.23 1g72 n GLN 557 Ca 0.15 0.29 0.13 0.00 -1.83 0.00 0.00 57.00 55.73 1g72 n GLN 557 Cb 0.42 -1.50 0.28 0.00 -0.86 0.00 0.00 30.24 28.59 1g72 n GLN 557 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1g72 n ASN 558 N -1.35 1.90 -0.00 2.61 5.03 0.14 -4.27 115.26 119.30 1g72 n ASN 558 Ca 0.02 -1.50 -0.00 0.00 0.87 0.00 0.00 54.58 53.97 1g72 n ASN 558 Cb 0.05 0.12 -0.00 0.00 -1.02 0.00 0.00 39.78 38.93 1g72 n ASN 558 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 1g72 n HIS 559 N 0.28 0.00 -3.74 3.10 8.25 -0.01 -5.10 115.22 118.00 1g72 n HIS 559 Ca 0.14 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.51 1g72 n HIS 559 Cb 0.44 -0.02 -0.05 0.00 1.12 0.00 0.00 29.99 31.47 1g72 n HIS 559 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1g72 s THR 560 N -2.01 0.09 0.39 1.59 -1.32 -0.74 -4.87 115.64 108.77 1g72 s THR 560 Ca -0.00 -0.85 0.04 0.00 -1.21 0.00 0.00 61.69 59.67 1g72 s THR 560 Cb 0.00 -1.32 -0.05 0.00 -1.51 0.00 0.00 72.50 69.62 1g72 s THR 560 CO 0.02 -0.39 0.05 -1.10 -2.21 0.00 0.00 174.62 170.99 1g72 s GLN 561 N -3.84 1.88 1.02 7.08 -1.52 -1.26 -4.30 119.66 118.71 1g72 s GLN 561 Ca 0.05 -2.10 -0.12 0.00 -1.95 0.00 0.00 55.36 51.25 1g72 s GLN 561 Cb 0.03 -1.15 0.20 0.00 -0.22 0.00 0.00 33.01 31.86 1g72 s GLN 561 CO -0.10 -0.23 1.08 -1.64 -0.25 0.00 0.00 175.29 174.15 1g72 s MET 562 N -3.81 0.27 0.06 2.91 -1.94 -1.26 -4.54 119.30 110.99 1g72 s MET 562 Ca 0.29 0.93 -0.14 0.00 -1.71 0.00 0.00 55.69 55.06 1g72 s MET 562 Cb 0.07 -1.69 0.05 0.00 2.01 0.00 0.00 34.83 35.27 1g72 s MET 562 CO 0.14 -2.95 0.65 0.41 -0.01 0.00 0.00 175.02 173.26 1g72 n GLY 563 N -0.14 0.70 3.15 -0.03 0.00 -1.26 -4.89 105.19 102.72 1g72 n GLY 563 Ca 0.06 -1.01 0.05 0.00 0.00 0.00 0.00 46.02 45.12 1g72 n GLY 563 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1g72 s GLY 564 N -3.00 -0.51 0.00 -0.02 0.00 -1.24 -4.11 107.32 98.44 1g72 s GLY 564 Ca 0.15 2.56 0.00 0.00 0.00 0.00 0.00 44.72 47.43 1g72 s GLY 564 CO 0.02 3.84 0.00 0.61 0.00 0.00 0.00 173.10 177.57 1g72 n GLY 565 N 5.41 -1.25 3.09 0.20 0.00 -0.76 -1.86 105.19 110.01 1g72 n GLY 565 Ca -0.03 -0.90 -0.20 0.00 0.00 0.00 0.00 46.02 44.89 1g72 n GLY 565 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1g72 s LEU 566 N 0.00 2.08 -0.03 0.99 2.96 0.15 -0.69 118.68 124.14 1g72 s LEU 566 Ca 0.00 -0.30 0.05 0.00 -0.22 0.00 0.00 54.13 53.66 1g72 s LEU 566 Cb 0.00 -0.58 -0.01 0.00 0.50 0.00 0.00 46.19 46.11 1g72 s LEU 566 CO 0.00 0.09 -0.17 -0.04 -1.32 0.00 0.00 176.35 174.91 1g72 s MET 567 N -0.59 1.58 0.01 1.98 -1.94 -0.53 -0.82 119.30 118.99 1g72 s MET 567 Ca 0.03 -0.60 0.08 0.00 -1.71 0.00 0.00 55.69 53.49 1g72 s MET 567 Cb -0.06 -1.44 -0.02 0.00 2.01 0.00 0.00 34.83 35.32 1g72 s MET 567 CO 0.00 0.30 -0.25 0.08 -0.01 0.00 0.00 175.02 175.14 1g72 s VAL 568 N -0.15 1.97 0.16 -6.03 1.01 -0.45 -1.68 120.40 115.23 1g72 s VAL 568 Ca 0.01 -1.18 0.06 0.00 0.00 0.00 0.00 61.98 60.87 1g72 s VAL 568 Cb -0.09 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 1g72 s VAL 568 CO 0.01 0.44 -0.13 -0.36 0.00 0.00 0.00 175.10 175.07 1g72 s PHE 569 N -0.68 1.48 0.14 5.22 0.40 0.49 0.20 117.98 125.22 1g72 s PHE 569 Ca 0.10 -0.64 -0.24 0.00 -0.60 0.00 0.00 56.93 55.55 1g72 s PHE 569 Cb -0.10 -0.72 0.08 0.00 0.51 0.00 0.00 43.02 42.79 1g72 s PHE 569 CO 0.00 0.21 1.09 -1.54 0.70 0.00 0.00 175.22 175.69 1g72 s SER 570 N -3.07 0.00 0.00 1.36 1.04 -0.57 -0.82 113.70 111.65 1g72 s SER 570 Ca 0.17 -0.56 0.32 0.00 0.48 0.00 0.00 55.95 56.36 1g72 s SER 570 Cb -0.00 0.42 1.87 0.00 0.10 0.00 0.00 66.02 68.41 1g72 s SER 570 CO 0.04 -0.83 2.21 0.18 0.98 0.00 0.00 173.24 175.81