#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xmp n SER 3 N 0.00 3.86 -0.02 4.39 7.64 -1.26 -4.77 113.62 123.46 1xmp n SER 3 Ca 0.00 1.17 0.05 0.00 1.01 0.00 0.00 58.87 61.10 1xmp n SER 3 Cb 0.00 -1.60 -0.12 0.00 -1.01 0.00 0.00 64.21 61.48 1xmp n SER 3 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1xmp n LEU 4 N 1.65 0.00 -4.22 -3.43 4.77 -0.06 -4.06 117.00 111.64 1xmp n LEU 4 Ca 0.06 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.75 1xmp n LEU 4 Cb 0.37 0.08 -0.16 0.00 -2.33 0.00 0.00 43.42 41.38 1xmp n LEU 4 CO 0.64 0.08 -0.54 -0.69 -1.33 0.00 0.00 177.39 175.55 1xmp s VAL 5 N -2.92 1.77 -0.23 4.08 1.01 -1.14 -0.49 120.40 122.49 1xmp s VAL 5 Ca -0.06 -0.92 -0.08 0.00 0.00 0.00 0.00 61.98 60.92 1xmp s VAL 5 Cb 0.09 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 1xmp s VAL 5 CO 0.64 0.50 0.09 -0.83 0.00 0.00 0.00 175.10 175.49 1xmp s GLY 6 N -0.19 1.84 -0.31 4.51 0.00 -0.42 -1.62 107.32 111.13 1xmp s GLY 6 Ca -0.01 -1.00 -0.09 0.00 0.00 0.00 0.00 44.72 43.62 1xmp s GLY 6 CO 0.02 0.40 0.14 0.14 0.00 0.00 0.00 173.10 173.80 1xmp s VAL 7 N 1.24 4.42 0.22 1.40 1.01 0.37 -0.25 120.40 128.81 1xmp s VAL 7 Ca 0.05 -0.54 0.07 0.00 0.00 0.00 0.00 61.98 61.55 1xmp s VAL 7 Cb -0.14 -3.29 -0.05 0.00 0.00 0.00 0.00 36.38 32.90 1xmp s VAL 7 CO 0.04 0.04 -0.10 0.27 0.00 0.00 0.00 175.10 175.34 1xmp s ILE 8 N 1.58 1.56 -0.03 2.22 -4.36 0.80 -1.30 121.20 121.67 1xmp s ILE 8 Ca 0.04 -2.15 -0.30 0.00 -0.26 0.00 0.00 60.65 57.98 1xmp s ILE 8 Cb -0.17 -2.14 0.07 0.00 1.25 0.00 0.00 42.46 41.47 1xmp s ILE 8 CO 0.05 -0.52 0.69 0.00 0.24 0.00 0.00 174.94 175.41 1xmp s MET 9 N -3.70 1.05 0.35 0.37 0.23 -0.98 -1.11 119.30 115.51 1xmp s MET 9 Ca 0.24 0.15 0.16 0.00 -1.03 0.00 0.00 55.69 55.21 1xmp s MET 9 Cb 0.01 0.49 0.61 0.00 -1.53 0.00 0.00 34.83 34.42 1xmp s MET 9 CO 0.07 -0.35 1.72 0.78 -2.03 0.00 0.00 175.02 175.21 1xmp h GLY 10 N 2.83 0.00 -3.53 3.16 0.00 -1.58 -0.40 103.07 103.54 1xmp h GLY 10 Ca -0.27 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.97 1xmp h GLY 10 CO 0.38 0.00 -0.30 -1.35 0.00 0.00 0.00 176.54 175.27 1xmp s SER 11 N -6.62 -0.02 0.53 0.19 1.04 -1.26 -4.26 113.70 103.30 1xmp s SER 11 Ca -0.01 -0.40 0.25 0.00 0.48 0.00 0.00 55.95 56.27 1xmp s SER 11 Cb 0.12 0.35 1.48 0.00 0.10 0.00 0.00 66.02 68.07 1xmp s SER 11 CO 0.71 -0.67 2.12 0.71 0.98 0.00 0.00 173.24 177.09 1xmp h THR 12 N 3.01 0.67 0.00 2.02 1.35 -2.00 -0.71 112.91 117.25 1xmp h THR 12 Ca -0.33 -0.37 -0.02 0.00 -0.55 0.00 0.00 66.41 65.14 1xmp h THR 12 Cb 1.20 1.23 -0.00 0.00 -1.73 0.00 0.00 68.15 68.85 1xmp h THR 12 CO 0.50 0.09 -0.09 0.77 -0.25 0.00 0.00 175.52 176.54 1xmp h SER 13 N 0.00 0.00 0.80 5.36 4.64 -1.99 -1.27 113.55 121.09 1xmp h SER 13 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xmp h SER 13 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1xmp h SER 13 CO 0.01 0.09 0.00 0.44 -0.87 0.00 0.00 176.83 176.50 1xmp h ASP 14 N 0.00 0.00 -0.84 4.97 3.32 -1.54 -3.30 116.42 119.04 1xmp h ASP 14 Ca -0.00 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.09 1xmp h ASP 14 Cb 0.22 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.72 1xmp h ASP 14 CO 0.01 0.00 0.55 -0.25 -1.72 0.00 0.00 179.24 177.83 1xmp h TRP 15 N 0.00 0.99 -0.97 4.55 -0.00 -1.33 -1.22 115.95 117.97 1xmp h TRP 15 Ca 0.00 0.02 0.15 0.00 -0.00 0.00 0.00 58.89 59.07 1xmp h TRP 15 Cb 0.40 -0.33 -0.10 0.00 -0.00 0.00 0.00 29.16 29.14 1xmp h TRP 15 CO 0.00 0.56 0.58 1.05 -0.00 0.00 0.00 178.44 180.63 1xmp h GLU 16 N 1.01 0.80 -0.01 2.65 4.11 -1.77 0.20 114.58 121.56 1xmp h GLU 16 Ca 0.34 -0.05 -0.03 0.00 0.07 0.00 0.00 59.36 59.70 1xmp h GLU 16 Cb 0.08 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1xmp h GLU 16 CO -0.11 0.53 -0.09 1.15 0.07 0.00 0.00 179.01 180.56 1xmp h THR 17 N 0.82 1.53 0.00 -1.06 2.02 -1.58 -3.36 112.91 111.28 1xmp h THR 17 Ca 0.52 -1.69 0.00 0.00 0.77 0.00 0.00 66.41 66.02 1xmp h THR 17 Cb 0.69 2.61 0.00 0.00 -1.74 0.00 0.00 68.15 69.71 1xmp h THR 17 CO -0.33 0.45 0.00 0.24 0.37 0.00 0.00 175.52 176.25 1xmp h MET 18 N -0.57 0.00 -0.72 6.66 2.86 -0.59 -2.96 114.93 119.62 1xmp h MET 18 Ca -0.01 0.00 0.18 0.00 -2.06 0.00 0.00 59.70 57.81 1xmp h MET 18 Cb 0.78 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.40 1xmp h MET 18 CO 0.02 0.00 0.50 -0.22 1.06 0.00 0.00 176.91 178.27 1xmp h LYS 19 N 0.00 0.20 -0.61 1.72 3.64 -0.78 -2.87 116.57 117.87 1xmp h LYS 19 Ca 0.00 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1xmp h LYS 19 Cb 0.61 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.36 1xmp h LYS 19 CO 0.00 0.13 0.33 1.88 -2.27 0.00 0.00 179.45 179.52 1xmp h TYR 20 N 0.21 0.84 -0.69 1.91 -1.99 -1.75 0.12 116.97 115.62 1xmp h TYR 20 Ca 0.35 -0.02 0.04 0.00 2.00 0.00 0.00 58.73 61.10 1xmp h TYR 20 Cb 1.09 -0.27 -0.05 0.00 2.00 0.00 0.00 36.73 39.50 1xmp h TYR 20 CO -0.00 0.61 0.42 0.00 -0.00 0.00 0.00 178.16 179.19 1xmp h ALA 21 N 1.16 0.92 -0.53 3.88 0.00 -1.32 -2.61 119.26 120.76 1xmp h ALA 21 Ca 0.21 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 1xmp h ALA 21 Cb 0.05 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1xmp h ALA 21 CO -0.03 0.17 -0.06 0.00 0.00 0.00 0.00 179.25 179.33 1xmp h ASP 23 N 0.84 0.91 -0.39 0.00 3.32 -0.53 -0.57 116.42 119.99 1xmp h ASP 23 Ca 0.14 0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.18 1xmp h ASP 23 Cb 0.61 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 1xmp h ASP 23 CO 0.04 0.50 0.04 0.40 -1.72 0.00 0.00 179.24 178.49 1xmp h ILE 24 N 0.98 1.25 -0.66 0.35 1.08 -1.08 -1.79 117.51 117.64 1xmp h ILE 24 Ca 0.48 -0.92 -0.05 0.00 -0.39 0.00 0.00 64.86 63.97 1xmp h ILE 24 Cb 0.46 1.09 -0.03 0.00 -3.07 0.00 0.00 36.82 35.27 1xmp h ILE 24 CO -0.24 0.31 0.22 -0.07 -0.69 0.00 0.00 178.15 177.69 1xmp h LEU 25 N 0.50 0.94 0.18 1.44 3.38 -0.70 -1.89 115.31 119.17 1xmp h LEU 25 Ca 0.12 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1xmp h LEU 25 Cb 0.41 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1xmp h LEU 25 CO 0.01 0.89 -0.09 0.44 0.09 0.00 0.00 178.44 179.78 1xmp h ASP 26 N 0.94 -0.21 -0.91 -0.43 3.32 -1.12 0.14 116.42 118.16 1xmp h ASP 26 Ca 0.21 -0.13 0.26 0.00 0.02 0.00 0.00 57.03 57.39 1xmp h ASP 26 Cb 0.27 0.05 -0.15 0.00 0.22 0.00 0.00 39.33 39.72 1xmp h ASP 26 CO -0.01 0.01 0.24 -0.08 -1.72 0.00 0.00 179.24 177.68 1xmp h GLU 27 N -0.42 0.16 -0.19 3.56 4.81 -1.21 0.20 114.58 121.47 1xmp h GLU 27 Ca -0.03 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1xmp h GLU 27 Cb 0.33 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.67 1xmp h GLU 27 CO 0.04 0.10 0.00 1.28 -0.73 0.00 0.00 179.01 179.70 1xmp n LEU 28 N -5.27 1.92 -3.71 1.64 4.77 -0.72 -4.94 117.00 110.69 1xmp n LEU 28 Ca 0.24 -0.80 -0.24 0.00 -0.03 0.00 0.00 56.01 55.17 1xmp n LEU 28 Cb 0.76 -0.12 0.05 0.00 -2.33 0.00 0.00 43.42 41.78 1xmp n LEU 28 CO 0.04 0.40 0.07 0.59 -1.33 0.00 0.00 177.39 177.16 1xmp n ASN 29 N 0.49 -3.37 -4.52 -1.43 3.02 0.71 -4.97 115.26 105.19 1xmp n ASN 29 Ca 0.16 -0.73 -0.37 0.00 -0.03 0.00 0.00 54.58 53.62 1xmp n ASN 29 Cb 0.37 -4.34 -0.12 0.00 -0.61 0.00 0.00 39.78 35.08 1xmp n ASN 29 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1xmp s ILE 30 N -3.45 4.79 0.27 2.41 1.01 0.37 -5.02 121.20 121.58 1xmp s ILE 30 Ca 0.31 -0.01 -0.29 0.00 0.00 0.00 0.00 60.65 60.66 1xmp s ILE 30 Cb -0.15 -3.26 -0.09 0.00 0.01 0.00 0.00 42.46 38.96 1xmp s ILE 30 CO 0.79 0.30 1.25 -2.16 0.00 0.00 0.00 174.94 175.12 1xmp s PRO 31 N 1.68 4.44 0.20 2.79 0.04 -1.26 -4.47 135.00 138.42 1xmp s PRO 31 Ca 0.07 2.04 -0.14 0.00 0.04 0.00 0.00 61.00 63.01 1xmp s PRO 31 Cb -0.16 -3.15 0.01 0.00 0.04 0.00 0.00 34.50 31.25 1xmp s PRO 31 CO 0.07 -0.10 0.46 1.52 0.04 0.00 0.00 177.00 178.98 1xmp s TYR 32 N -0.68 0.10 0.17 0.56 1.13 -1.26 -0.88 117.35 116.49 1xmp s TYR 32 Ca 0.51 -0.46 0.09 0.00 -1.41 0.00 0.00 57.07 55.80 1xmp s TYR 32 Cb -0.36 0.25 -0.04 0.00 -1.10 0.00 0.00 41.96 40.70 1xmp s TYR 32 CO 0.44 -0.89 -0.19 -1.83 -2.51 0.00 0.00 175.55 170.58 1xmp s GLU 33 N -3.92 1.32 -0.04 -3.49 -1.05 -0.64 -4.86 118.70 106.01 1xmp s GLU 33 Ca 0.14 -1.44 -0.00 0.00 -0.15 0.00 0.00 54.97 53.52 1xmp s GLU 33 Cb 0.00 -1.40 0.03 0.00 -0.44 0.00 0.00 34.13 32.32 1xmp s GLU 33 CO 0.00 0.28 -0.00 -1.59 0.95 0.00 0.00 175.26 174.90 1xmp s LYS 34 N -2.82 0.44 -0.02 -4.83 -2.85 -1.26 -0.48 119.74 107.92 1xmp s LYS 34 Ca 0.17 0.07 -0.10 0.00 -1.00 0.00 0.00 55.97 55.11 1xmp s LYS 34 Cb -0.06 -0.67 0.01 0.00 -2.06 0.00 0.00 37.83 35.06 1xmp s LYS 34 CO 0.07 -0.18 0.21 0.21 0.10 0.00 0.00 175.35 175.77 1xmp s LYS 35 N 1.32 0.52 -0.29 1.78 2.20 -0.42 -5.00 119.74 119.84 1xmp s LYS 35 Ca -0.05 -0.22 -0.26 0.00 -0.36 0.00 0.00 55.97 55.08 1xmp s LYS 35 Cb -0.13 0.22 0.01 0.00 -1.51 0.00 0.00 37.83 36.42 1xmp s LYS 35 CO -0.02 -0.13 0.92 0.08 -0.36 0.00 0.00 175.35 175.84 1xmp s VAL 36 N -1.14 4.70 -0.18 4.02 1.01 -1.26 -2.32 120.40 125.23 1xmp s VAL 36 Ca -0.12 1.52 -0.03 0.00 0.00 0.00 0.00 61.98 63.36 1xmp s VAL 36 Cb -0.06 -4.25 0.05 0.00 0.00 0.00 0.00 36.38 32.13 1xmp s VAL 36 CO 0.02 -0.29 0.03 -0.69 0.00 0.00 0.00 175.10 174.17 1xmp s VAL 37 N 3.19 0.53 -0.23 2.92 1.01 -0.16 -4.92 120.40 122.73 1xmp s VAL 37 Ca 0.38 -0.47 -0.09 0.00 0.00 0.00 0.00 61.98 61.81 1xmp s VAL 37 Cb -0.14 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 1xmp s VAL 37 CO 0.12 -0.13 0.11 -0.55 0.00 0.00 0.00 175.10 174.64 1xmp s SER 38 N 1.87 5.64 0.34 3.32 0.15 -1.26 -3.51 113.70 120.24 1xmp s SER 38 Ca -0.00 -0.02 0.02 0.00 0.70 0.00 0.00 55.95 56.64 1xmp s SER 38 Cb -0.16 -2.01 0.61 0.00 -1.71 0.00 0.00 66.02 62.75 1xmp s SER 38 CO -0.08 0.04 2.00 0.00 1.20 0.00 0.00 173.24 176.41 1xmp h ALA 39 N 7.67 1.53 0.00 5.45 0.00 -1.88 -1.09 119.26 130.94 1xmp h ALA 39 Ca -0.37 -0.05 -0.25 0.00 0.00 0.00 0.00 54.91 54.24 1xmp h ALA 39 Cb 1.18 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 1xmp h ALA 39 CO 0.62 0.43 -2.19 0.72 0.00 0.00 0.00 179.25 178.84 1xmp n HIS 40 N -4.44 0.00 -0.03 0.00 8.25 -1.26 -3.61 115.22 114.13 1xmp n HIS 40 Ca 0.07 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.58 1xmp n HIS 40 Cb 0.05 -0.80 -0.16 0.00 1.12 0.00 0.00 29.99 30.20 1xmp n HIS 40 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1xmp n ARG 41 N -2.57 0.70 -3.11 -0.41 1.74 -1.24 -4.62 116.66 107.15 1xmp n ARG 41 Ca -0.24 -0.14 -0.19 0.00 -0.77 0.00 0.00 57.85 56.51 1xmp n ARG 41 Cb 0.96 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.88 1xmp n ARG 41 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1xmp n THR 42 N -2.35 0.51 -0.19 0.55 -2.24 -0.42 -4.99 114.28 105.14 1xmp n THR 42 Ca -0.12 -4.70 -0.06 0.00 -2.27 0.00 0.00 64.05 56.90 1xmp n THR 42 Cb 0.70 -0.44 0.03 0.00 -2.10 0.00 0.00 70.33 68.53 1xmp n THR 42 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1xmp h PRO 43 N 2.99 0.73 -0.67 -0.78 0.13 -1.60 -1.07 132.00 131.72 1xmp h PRO 43 Ca 0.10 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 65.17 1xmp h PRO 43 Cb 0.89 -0.16 -0.03 0.00 0.13 0.00 0.00 31.00 31.83 1xmp h PRO 43 CO 0.56 0.48 0.36 -0.44 -0.23 0.00 0.00 178.00 178.73 1xmp h ASP 44 N 0.75 0.85 -0.67 1.44 3.32 -1.90 -2.31 116.42 117.90 1xmp h ASP 44 Ca 0.21 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 1xmp h ASP 44 Cb -0.07 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.23 1xmp h ASP 44 CO -0.05 0.71 0.28 0.22 -1.72 0.00 0.00 179.24 178.68 1xmp h TYR 45 N 0.92 1.00 -0.18 4.55 3.20 -1.87 -1.42 116.97 123.17 1xmp h TYR 45 Ca 0.24 -0.07 0.03 0.00 3.14 0.00 0.00 58.73 62.07 1xmp h TYR 45 Cb 0.06 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 37.99 1xmp h TYR 45 CO -0.00 0.77 -0.03 1.98 -1.64 0.00 0.00 178.16 179.24 1xmp h MET 46 N 0.94 0.02 -0.71 1.82 4.05 -0.95 0.59 114.93 120.68 1xmp h MET 46 Ca 0.22 -0.00 0.03 0.00 -0.28 0.00 0.00 59.70 59.67 1xmp h MET 46 Cb 0.18 -0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 30.93 1xmp h MET 46 CO -0.02 0.01 0.44 0.74 0.23 0.00 0.00 176.91 178.31 1xmp h PHE 47 N 0.02 0.83 -0.27 1.39 -1.00 -1.15 -0.10 116.94 116.65 1xmp h PHE 47 Ca 0.08 0.02 -0.02 0.00 2.81 0.00 0.00 57.97 60.87 1xmp h PHE 47 Cb 0.12 -0.27 -0.01 0.00 3.61 0.00 0.00 35.95 39.39 1xmp h PHE 47 CO -0.19 0.48 0.11 0.93 -1.61 0.00 0.00 178.31 178.03 1xmp h GLU 48 N 0.87 0.41 -0.11 1.51 4.39 -1.03 0.16 114.58 120.77 1xmp h GLU 48 Ca 0.28 -0.08 0.04 0.00 0.34 0.00 0.00 59.36 59.94 1xmp h GLU 48 Cb 0.01 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.56 1xmp h GLU 48 CO -0.11 0.44 -0.12 -0.92 -1.16 0.00 0.00 179.01 177.14 1xmp h TYR 49 N 0.29 -0.31 -0.10 4.33 5.03 -0.45 -2.16 116.97 123.60 1xmp h TYR 49 Ca 0.09 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.41 1xmp h TYR 49 Cb 0.19 0.15 -0.00 0.00 1.55 0.00 0.00 36.73 38.62 1xmp h TYR 49 CO -0.01 -0.18 0.05 0.00 -1.32 0.00 0.00 178.16 176.70 1xmp h ALA 50 N 0.91 0.13 -0.68 1.82 0.00 -0.91 -2.58 119.26 117.95 1xmp h ALA 50 Ca 0.08 -0.07 0.14 0.00 0.00 0.00 0.00 54.91 55.05 1xmp h ALA 50 Cb 0.27 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 17.93 1xmp h ALA 50 CO -0.20 -0.30 0.18 0.93 0.00 0.00 0.00 179.25 179.85 1xmp h GLU 51 N 0.04 0.29 0.00 0.00 5.08 -0.55 -3.02 114.58 116.41 1xmp h GLU 51 Ca 0.04 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1xmp h GLU 51 Cb 0.12 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1xmp h GLU 51 CO -0.00 0.19 -0.56 0.25 -1.00 0.00 0.00 179.01 177.88 1xmp n THR 52 N -5.12 0.03 -0.19 1.13 -2.24 -0.83 -4.48 114.28 102.59 1xmp n THR 52 Ca 0.12 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 1xmp n THR 52 Cb 0.39 0.26 0.09 0.00 -2.10 0.00 0.00 70.33 68.98 1xmp n THR 52 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xmp h ALA 53 N 2.94 0.59 -0.04 6.98 0.00 -1.32 -0.03 119.26 128.39 1xmp h ALA 53 Ca 0.00 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1xmp h ALA 53 Cb 0.53 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1xmp h ALA 53 CO 0.00 -0.38 0.01 -0.09 0.00 0.00 0.00 179.25 178.79 1xmp h ARG 54 N 0.14 0.06 -0.81 0.00 2.43 -1.78 -1.63 114.38 112.78 1xmp h ARG 54 Ca 0.31 -0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.56 1xmp h ARG 54 Cb 0.48 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.97 1xmp h ARG 54 CO -0.49 0.25 0.53 1.49 -1.51 0.00 0.00 179.97 180.24 1xmp h GLU 55 N -0.15 0.72 0.00 0.20 4.57 -1.65 -1.35 114.58 116.93 1xmp h GLU 55 Ca 0.01 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1xmp h GLU 55 Cb 0.22 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.64 1xmp h GLU 55 CO -0.00 0.48 0.00 0.54 -1.18 0.00 0.00 179.01 178.85 1xmp n ARG 56 N -4.51 0.22 0.00 1.92 1.74 -0.10 -4.89 116.66 111.05 1xmp n ARG 56 Ca 0.14 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.30 1xmp n ARG 56 Cb 0.33 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 1xmp n ARG 56 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xmp n GLY 57 N 0.72 0.57 3.77 -0.13 0.00 -0.51 -4.78 105.19 104.84 1xmp n GLY 57 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 1xmp n GLY 57 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xmp s LEU 58 N 0.00 4.25 -0.10 0.99 1.43 -0.64 -4.58 118.68 120.04 1xmp s LEU 58 Ca 0.00 2.22 0.08 0.00 -1.03 0.00 0.00 54.13 55.40 1xmp s LEU 58 Cb 0.00 -4.00 -0.11 0.00 0.03 0.00 0.00 46.19 42.11 1xmp s LEU 58 CO 0.00 -0.50 0.02 0.29 0.23 0.00 0.00 176.35 176.39 1xmp n LYS 59 N 0.25 2.30 -3.87 1.70 4.76 0.36 -4.40 118.16 119.26 1xmp n LYS 59 Ca 0.03 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.36 1xmp n LYS 59 Cb 0.47 -1.24 -0.13 0.00 -1.84 0.00 0.00 35.03 32.29 1xmp n LYS 59 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1xmp s VAL 60 N -2.23 0.01 -0.14 -0.18 1.01 -1.09 -4.19 120.40 113.59 1xmp s VAL 60 Ca -0.06 -0.08 -0.01 0.00 0.00 0.00 0.00 61.98 61.84 1xmp s VAL 60 Cb 0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 36.38 36.30 1xmp s VAL 60 CO 0.38 -0.04 -0.11 -0.63 0.00 0.00 0.00 175.10 174.70 1xmp s ILE 61 N -0.11 3.27 -0.24 2.22 1.01 -0.91 -1.30 121.20 125.15 1xmp s ILE 61 Ca -0.01 -0.58 -0.07 0.00 0.00 0.00 0.00 60.65 59.98 1xmp s ILE 61 Cb -0.01 -2.39 -0.03 0.00 0.01 0.00 0.00 42.46 40.04 1xmp s ILE 61 CO 0.00 0.52 0.07 -0.63 0.00 0.00 0.00 174.94 174.89 1xmp s ILE 62 N 0.36 4.36 -0.11 2.92 1.01 0.66 -0.21 121.20 130.19 1xmp s ILE 62 Ca -0.09 -0.16 0.01 0.00 0.00 0.00 0.00 60.65 60.41 1xmp s ILE 62 Cb -0.15 -3.02 0.02 0.00 0.01 0.00 0.00 42.46 39.31 1xmp s ILE 62 CO 0.05 0.36 -0.13 0.00 0.00 0.00 0.00 174.94 175.22 1xmp s ALA 63 N 1.41 1.60 -0.10 9.38 0.00 0.95 -0.14 121.76 134.84 1xmp s ALA 63 Ca 0.05 -0.69 -0.02 0.00 0.00 0.00 0.00 51.96 51.31 1xmp s ALA 63 Cb -0.15 -0.85 -0.03 0.00 0.00 0.00 0.00 23.12 22.09 1xmp s ALA 63 CO 0.03 -0.17 -0.01 0.20 0.00 0.00 0.00 175.76 175.82 1xmp s GLY 64 N 1.16 1.82 0.04 0.00 0.00 -0.26 -1.09 107.32 108.98 1xmp s GLY 64 Ca -0.03 -0.81 -0.28 0.00 0.00 0.00 0.00 44.72 43.59 1xmp s GLY 64 CO -0.04 -0.47 0.66 0.00 0.00 0.00 0.00 173.10 173.25 1xmp s ALA 65 N -0.61 -1.70 0.29 3.20 0.00 -0.70 -3.15 121.76 119.09 1xmp s ALA 65 Ca 0.10 0.98 0.07 0.00 0.00 0.00 0.00 51.96 53.10 1xmp s ALA 65 Cb -0.12 0.36 -0.06 0.00 0.00 0.00 0.00 23.12 23.31 1xmp s ALA 65 CO 0.02 -0.54 -0.05 0.20 0.00 0.00 0.00 175.76 175.40 1xmp s GLY 66 N -1.85 1.90 0.00 0.00 0.00 -1.26 -1.46 107.32 104.64 1xmp s GLY 66 Ca -0.06 -1.94 0.00 0.00 0.00 0.00 0.00 44.72 42.72 1xmp s GLY 66 CO 0.00 -1.86 0.00 0.61 0.00 0.00 0.00 173.10 171.85 1xmp n GLY 67 N -0.62 2.32 3.57 0.20 0.00 -1.26 -3.68 105.19 105.72 1xmp n GLY 67 Ca -0.05 -0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 1xmp n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xmp s ALA 68 N -1.81 3.33 -1.00 4.61 0.00 -1.26 -2.32 121.76 123.30 1xmp s ALA 68 Ca 0.00 -2.90 -0.20 0.00 0.00 0.00 0.00 51.96 48.86 1xmp s ALA 68 Cb 0.00 -4.59 0.09 0.00 0.00 0.00 0.00 23.12 18.62 1xmp s ALA 68 CO 0.00 -3.28 1.31 0.00 0.00 0.00 0.00 175.76 173.79 1xmp s ALA 69 N 4.06 3.11 -0.30 0.00 0.00 -1.24 -4.80 121.76 122.58 1xmp s ALA 69 Ca 0.52 -2.58 0.22 0.00 0.00 0.00 0.00 51.96 50.12 1xmp s ALA 69 Cb 0.03 -4.29 -0.18 0.00 0.00 0.00 0.00 23.12 18.68 1xmp s ALA 69 CO 0.06 -3.26 0.75 0.72 0.00 0.00 0.00 175.76 174.02 1xmp n HIS 70 N 7.61 0.24 -0.01 0.00 8.25 -1.26 -4.12 115.22 125.93 1xmp n HIS 70 Ca 0.30 0.07 -0.09 0.00 -0.26 0.00 0.00 57.72 57.74 1xmp n HIS 70 Cb 0.49 -0.52 -0.03 0.00 1.12 0.00 0.00 29.99 31.05 1xmp n HIS 70 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1xmp h LEU 71 N 0.00 -0.29 -0.29 2.41 5.85 -1.93 -1.33 115.31 119.72 1xmp h LEU 71 Ca 0.00 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.79 1xmp h LEU 71 Cb 0.89 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 1xmp h LEU 71 CO 0.00 -0.12 0.18 -0.65 -0.34 0.00 0.00 178.44 177.51 1xmp h PRO 72 N -0.09 0.35 -0.63 5.25 0.11 -1.84 -1.40 132.00 133.75 1xmp h PRO 72 Ca 0.09 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.15 1xmp h PRO 72 Cb 0.22 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.22 1xmp h PRO 72 CO -0.20 0.23 0.30 0.78 -0.21 0.00 0.00 178.00 178.90 1xmp h GLY 73 N 0.36 0.98 1.35 -0.55 0.00 -1.80 0.05 103.07 103.46 1xmp h GLY 73 Ca 0.11 -0.50 -0.17 0.00 0.00 0.00 0.00 47.33 46.77 1xmp h GLY 73 CO -0.04 0.47 -0.55 -0.33 0.00 0.00 0.00 176.54 176.09 1xmp h MET 74 N 0.88 0.68 -0.51 4.80 2.86 -1.21 -0.17 114.93 122.26 1xmp h MET 74 Ca 0.22 -0.43 0.01 0.00 -2.06 0.00 0.00 59.70 57.43 1xmp h MET 74 Cb 0.13 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.82 1xmp h MET 74 CO -0.03 1.05 0.33 0.28 1.06 0.00 0.00 176.91 179.61 1xmp h VAL 75 N 0.52 1.12 0.00 -2.22 2.07 -1.15 -2.83 116.25 113.76 1xmp h VAL 75 Ca 0.01 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 1xmp h VAL 75 Cb 1.12 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1xmp h VAL 75 CO 0.11 0.12 -0.18 0.00 0.02 0.00 0.00 177.57 177.64 1xmp h ALA 76 N 1.19 1.41 0.00 1.67 0.00 -0.61 -0.08 119.26 122.84 1xmp h ALA 76 Ca 0.19 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1xmp h ALA 76 Cb -0.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1xmp h ALA 76 CO -0.05 0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.43 1xmp h ALA 77 N 1.82 1.00 -0.04 0.00 0.00 -0.78 -3.26 119.26 118.01 1xmp h ALA 77 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xmp h ALA 77 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1xmp h ALA 77 CO 0.02 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.90 1xmp n LYS 78 N -2.64 0.33 -3.79 0.00 4.76 -0.08 -5.01 118.16 111.75 1xmp n LYS 78 Ca 0.01 -0.99 -0.11 0.00 -2.87 0.00 0.00 58.31 54.35 1xmp n LYS 78 Cb 0.26 -1.10 -0.08 0.00 -1.84 0.00 0.00 35.03 32.27 1xmp n LYS 78 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 1xmp s THR 79 N -0.54 0.09 -0.91 -0.18 -1.32 -1.00 -3.90 115.64 107.88 1xmp s THR 79 Ca 0.07 -0.72 0.15 0.00 -1.21 0.00 0.00 61.69 59.99 1xmp s THR 79 Cb 0.05 -0.86 0.50 0.00 -1.51 0.00 0.00 72.50 70.68 1xmp s THR 79 CO 0.07 -0.39 1.42 0.59 -2.21 0.00 0.00 174.62 174.10 1xmp n ASN 80 N 0.75 3.75 -4.70 8.08 4.13 -1.26 -4.73 115.26 121.29 1xmp n ASN 80 Ca -0.19 -2.35 -0.42 0.00 1.68 0.00 0.00 54.58 53.29 1xmp n ASN 80 Cb 0.59 -0.42 -0.01 0.00 -1.54 0.00 0.00 39.78 38.40 1xmp n ASN 80 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1xmp n LEU 81 N 0.56 3.63 -4.69 3.41 4.32 -1.26 -4.98 117.00 117.99 1xmp n LEU 81 Ca 0.19 1.21 -0.44 0.00 -0.02 0.00 0.00 56.01 56.95 1xmp n LEU 81 Cb 0.68 -1.49 -0.03 0.00 -1.62 0.00 0.00 43.42 40.96 1xmp n LEU 81 CO 0.15 -0.44 1.11 -2.65 -1.22 0.00 0.00 177.39 174.34 1xmp n PRO 82 N 0.55 2.22 -4.47 3.23 -0.02 -1.26 -4.87 135.00 130.38 1xmp n PRO 82 Ca 0.04 0.79 -0.33 0.00 -2.02 0.00 0.00 63.50 61.99 1xmp n PRO 82 Cb 0.36 -2.51 -0.16 0.00 -0.02 0.00 0.00 33.50 31.17 1xmp n PRO 82 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1xmp s VAL 83 N 0.21 2.22 -0.24 -1.45 1.01 -1.26 -2.13 120.40 118.75 1xmp s VAL 83 Ca 0.70 -0.91 -0.10 0.00 0.00 0.00 0.00 61.98 61.67 1xmp s VAL 83 Cb -0.62 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 1xmp s VAL 83 CO 0.46 0.54 0.14 -0.63 0.00 0.00 0.00 175.10 175.60 1xmp s ILE 84 N 0.97 5.06 -0.22 2.22 1.01 0.71 -1.03 121.20 129.91 1xmp s ILE 84 Ca -0.03 0.08 -0.09 0.00 0.00 0.00 0.00 60.65 60.61 1xmp s ILE 84 Cb -0.15 -3.36 -0.04 0.00 0.01 0.00 0.00 42.46 38.92 1xmp s ILE 84 CO -0.05 0.34 0.11 -0.83 0.00 0.00 0.00 174.94 174.51 1xmp s GLY 85 N 1.24 1.91 -0.36 6.18 0.00 0.03 -0.04 107.32 116.29 1xmp s GLY 85 Ca 0.06 -0.89 -0.09 0.00 0.00 0.00 0.00 44.72 43.80 1xmp s GLY 85 CO 0.05 0.31 0.17 0.14 0.00 0.00 0.00 173.10 173.78 1xmp s VAL 86 N 0.95 4.30 -0.28 1.40 1.01 -0.25 -2.26 120.40 125.27 1xmp s VAL 86 Ca 0.06 -0.94 -0.29 0.00 0.00 0.00 0.00 61.98 60.80 1xmp s VAL 86 Cb -0.14 -3.41 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 1xmp s VAL 86 CO 0.03 -0.21 1.53 -2.84 0.00 0.00 0.00 175.10 173.61 1xmp s PRO 87 N 1.50 3.73 0.26 2.72 0.02 -1.26 -1.72 135.00 140.25 1xmp s PRO 87 Ca 0.01 1.41 -0.30 0.00 0.02 0.00 0.00 61.00 62.14 1xmp s PRO 87 Cb -0.19 -4.02 -0.09 0.00 0.02 0.00 0.00 34.50 30.22 1xmp s PRO 87 CO 0.05 -1.37 1.05 0.08 -0.33 0.00 0.00 177.00 176.48 1xmp s VAL 88 N 5.26 3.70 -0.21 3.83 1.01 -0.54 -0.87 120.40 132.58 1xmp s VAL 88 Ca 0.67 1.70 -0.29 0.00 0.00 0.00 0.00 61.98 64.06 1xmp s VAL 88 Cb -0.21 -4.08 -0.02 0.00 0.00 0.00 0.00 36.38 32.07 1xmp s VAL 88 CO 0.29 0.40 1.41 -1.58 0.00 0.00 0.00 175.10 175.62 1xmp s GLN 89 N -1.30 4.02 0.55 2.72 0.74 -1.26 -4.38 119.66 120.75 1xmp s GLN 89 Ca 0.44 1.59 -0.06 0.00 0.05 0.00 0.00 55.36 57.38 1xmp s GLN 89 Cb -0.30 -3.89 -0.02 0.00 1.10 0.00 0.00 33.01 29.90 1xmp s GLN 89 CO 0.38 -1.00 0.88 -1.54 -0.55 0.00 0.00 175.29 173.45 1xmp s SER 90 N 2.96 5.94 0.01 6.67 1.04 -1.26 -4.71 113.70 124.35 1xmp s SER 90 Ca 0.62 0.90 -0.25 0.00 0.48 0.00 0.00 55.95 57.70 1xmp s SER 90 Cb -0.22 -2.03 -0.14 0.00 0.10 0.00 0.00 66.02 63.73 1xmp s SER 90 CO 0.23 -0.85 1.06 0.50 0.98 0.00 0.00 173.24 175.16 1xmp h LYS 91 N -0.04 -0.86 0.10 4.02 3.64 -1.97 -2.04 116.57 119.42 1xmp h LYS 91 Ca -0.46 0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 58.98 1xmp h LYS 91 Cb 1.23 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 33.24 1xmp h LYS 91 CO 0.61 -0.58 -0.05 0.00 -2.27 0.00 0.00 179.45 177.17 1xmp h ALA 92 N -1.29 -0.13 -0.62 5.00 0.00 -2.04 -3.35 119.26 116.83 1xmp h ALA 92 Ca -0.09 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1xmp h ALA 92 Cb 0.69 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1xmp h ALA 92 CO 0.15 -0.30 0.00 1.28 0.00 0.00 0.00 179.25 180.38 1xmp n LEU 93 N -4.91 3.75 -3.43 0.00 4.32 -1.26 -4.96 117.00 110.51 1xmp n LEU 93 Ca -0.08 -1.79 -0.25 0.00 -0.02 0.00 0.00 56.01 53.86 1xmp n LEU 93 Cb 0.27 -0.41 0.01 0.00 -1.62 0.00 0.00 43.42 41.67 1xmp n LEU 93 CO 0.30 0.90 0.00 0.59 -1.22 0.00 0.00 177.39 177.96 1xmp n ASN 94 N 1.58 -4.47 0.00 -1.43 3.02 -0.76 -1.50 115.26 111.70 1xmp n ASN 94 Ca 0.23 -0.47 0.00 0.00 -0.03 0.00 0.00 54.58 54.31 1xmp n ASN 94 Cb 0.61 -3.64 0.00 0.00 -0.61 0.00 0.00 39.78 36.14 1xmp n ASN 94 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xmp n GLY 95 N -1.37 0.82 0.24 7.41 0.00 -1.25 -4.54 105.19 106.50 1xmp n GLY 95 Ca -0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 1xmp n GLY 95 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xmp h LEU 96 N 0.00 0.72 -0.14 0.99 5.85 -1.62 0.64 115.31 121.76 1xmp h LEU 96 Ca 0.00 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 1xmp h LEU 96 Cb 0.00 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 1xmp h LEU 96 CO 0.00 0.68 0.06 -2.24 -0.34 0.00 0.00 178.44 176.60 1xmp h ASP 97 N 0.72 0.18 -0.40 1.25 3.04 -1.84 -1.91 116.42 117.46 1xmp h ASP 97 Ca 0.18 -0.13 0.08 0.00 -3.24 0.00 0.00 57.03 53.92 1xmp h ASP 97 Cb 0.17 -0.05 -0.08 0.00 -1.04 0.00 0.00 39.33 38.33 1xmp h ASP 97 CO -0.02 0.26 -0.14 0.28 -2.04 0.00 0.00 179.24 177.59 1xmp h SER 98 N 0.09 -0.48 0.15 4.15 0.02 -1.26 -1.18 113.55 115.04 1xmp h SER 98 Ca 0.05 0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 1xmp h SER 98 Cb 0.13 0.29 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1xmp h SER 98 CO -0.01 -0.17 -0.07 0.25 -1.14 0.00 0.00 176.83 175.69 1xmp h LEU 99 N -0.05 -0.17 -0.99 5.07 5.85 -0.71 -2.51 115.31 121.80 1xmp h LEU 99 Ca 0.20 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.79 1xmp h LEU 99 Cb 0.35 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 1xmp h LEU 99 CO -0.44 -0.06 -0.07 -0.07 -0.34 0.00 0.00 178.44 177.47 1xmp h LEU 100 N -0.27 0.64 -1.90 2.25 3.38 -1.21 0.63 115.31 118.83 1xmp h LEU 100 Ca -0.02 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 1xmp h LEU 100 Cb 0.21 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1xmp h LEU 100 CO 0.03 0.75 -0.09 0.28 0.09 0.00 0.00 178.44 179.50 1xmp h SER 101 N 0.61 0.00 0.01 -0.43 0.02 -1.09 -3.02 113.55 109.65 1xmp h SER 101 Ca 0.12 0.00 -0.42 0.00 -0.84 0.00 0.00 61.79 60.65 1xmp h SER 101 Cb 0.48 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.96 1xmp h SER 101 CO 0.03 0.09 -2.43 -0.38 -1.14 0.00 0.00 176.83 173.00 1xmp n ILE 102 N -3.44 1.53 0.07 3.27 5.41 -0.91 -4.70 119.36 120.58 1xmp n ILE 102 Ca -0.01 -0.47 -0.06 0.00 1.00 0.00 0.00 62.75 63.20 1xmp n ILE 102 Cb 0.25 -1.67 -0.10 0.00 -0.71 0.00 0.00 39.64 37.41 1xmp n ILE 102 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 176.55 178.17 1xmp h VAL 103 N -0.48 1.67 -0.18 1.39 3.04 -0.92 -3.35 116.25 117.41 1xmp h VAL 103 Ca -0.62 -3.32 -0.10 0.00 -1.01 0.00 0.00 66.70 61.65 1xmp h VAL 103 Cb 1.76 2.80 -0.06 0.00 -2.01 0.00 0.00 31.29 33.78 1xmp h VAL 103 CO -0.24 0.94 0.13 0.00 -1.01 0.00 0.00 177.57 177.40 1xmp n GLN 104 N -3.36 1.25 -2.01 4.17 1.13 -1.14 -4.91 117.38 112.50 1xmp n GLN 104 Ca 0.00 -0.57 -0.38 0.00 -1.94 0.00 0.00 57.00 54.12 1xmp n GLN 104 Cb 0.92 -1.22 0.02 0.00 0.11 0.00 0.00 30.24 30.06 1xmp n GLN 104 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 1xmp s MET 105 N -0.63 3.44 0.61 -1.09 -1.94 -1.26 -5.00 119.30 113.43 1xmp s MET 105 Ca 0.11 2.01 -0.10 0.00 -1.71 0.00 0.00 55.69 56.00 1xmp s MET 105 Cb 0.09 -2.33 -0.03 0.00 2.01 0.00 0.00 34.83 34.57 1xmp s MET 105 CO 0.01 -0.88 1.00 -1.25 -0.01 0.00 0.00 175.02 173.90 1xmp s PRO 106 N -2.80 3.49 0.08 2.03 0.04 -1.26 -4.94 135.00 131.63 1xmp s PRO 106 Ca 0.68 0.62 -0.35 0.00 0.04 0.00 0.00 61.00 61.99 1xmp s PRO 106 Cb -0.35 -2.12 -0.15 0.00 0.04 0.00 0.00 34.50 31.93 1xmp s PRO 106 CO 0.41 -0.58 1.52 0.41 0.04 0.00 0.00 177.00 178.81 1xmp n GLY 107 N -2.71 0.88 0.00 0.56 0.00 -1.26 -2.42 105.19 100.24 1xmp n GLY 107 Ca 0.05 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.78 1xmp n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xmp n GLY 108 N 3.20 1.28 2.43 -0.02 0.00 -1.26 -5.02 105.19 105.80 1xmp n GLY 108 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 1xmp n GLY 108 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1xmp n VAL 109 N -0.09 -0.13 -2.10 1.61 0.31 -1.02 -5.06 118.33 111.87 1xmp n VAL 109 Ca 0.00 -4.06 -0.40 0.00 -0.01 0.00 0.00 64.34 59.87 1xmp n VAL 109 Cb 0.00 -1.89 -0.01 0.00 -0.91 0.00 0.00 33.84 31.03 1xmp n VAL 109 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1xmp s PRO 110 N -0.87 4.07 -0.10 5.55 0.04 -1.26 -4.51 135.00 137.92 1xmp s PRO 110 Ca 0.33 2.13 0.03 0.00 0.04 0.00 0.00 61.00 63.53 1xmp s PRO 110 Cb 0.07 -2.82 0.01 0.00 0.04 0.00 0.00 34.50 31.80 1xmp s PRO 110 CO -0.15 -0.40 -0.18 0.08 0.04 0.00 0.00 177.00 176.39 1xmp s VAL 111 N -1.25 1.66 -0.68 -0.36 1.01 -1.26 -4.67 120.40 114.85 1xmp s VAL 111 Ca 0.55 -0.76 -0.27 0.00 0.00 0.00 0.00 61.98 61.49 1xmp s VAL 111 Cb -0.38 -1.48 0.03 0.00 0.00 0.00 0.00 36.38 34.56 1xmp s VAL 111 CO 0.49 0.47 1.27 0.00 0.00 0.00 0.00 175.10 177.33 1xmp s ALA 112 N 0.69 2.82 -0.05 5.51 0.00 -0.20 -4.86 121.76 125.67 1xmp s ALA 112 Ca -0.12 -1.14 -0.11 0.00 0.00 0.00 0.00 51.96 50.58 1xmp s ALA 112 Cb -0.16 -4.18 -0.05 0.00 0.00 0.00 0.00 23.12 18.73 1xmp s ALA 112 CO 0.03 -3.08 0.29 0.99 0.00 0.00 0.00 175.76 173.99 1xmp s THR 113 N 5.56 5.25 0.49 0.00 2.01 -1.26 -0.79 115.64 126.90 1xmp s THR 113 Ca 0.39 0.52 0.02 0.00 0.31 0.00 0.00 61.69 62.93 1xmp s THR 113 Cb -0.08 -3.57 -0.01 0.00 0.01 0.00 0.00 72.50 68.85 1xmp s THR 113 CO 0.19 0.57 0.05 0.68 -0.69 0.00 0.00 174.62 175.42 1xmp s VAL 114 N -1.08 0.89 0.69 3.82 -7.23 -0.96 -4.96 120.40 111.56 1xmp s VAL 114 Ca 0.21 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.21 1xmp s VAL 114 Cb -0.14 -2.13 0.01 0.00 0.56 0.00 0.00 36.38 34.67 1xmp s VAL 114 CO 0.10 0.00 1.23 0.00 -0.31 0.00 0.00 175.10 176.11 1xmp n ALA 115 N -1.19 0.72 -1.69 1.32 0.00 -1.26 -4.41 120.51 114.00 1xmp n ALA 115 Ca -0.16 -0.09 -0.44 0.00 0.00 0.00 0.00 53.44 52.75 1xmp n ALA 115 Cb 0.66 -2.28 -0.04 0.00 0.00 0.00 0.00 19.45 17.80 1xmp n ALA 115 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1xmp n ILE 116 N -2.26 0.06 -2.89 0.00 5.41 -1.26 -3.23 119.36 115.19 1xmp n ILE 116 Ca 0.15 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.89 1xmp n ILE 116 Cb 0.49 -1.81 0.00 0.00 -0.71 0.00 0.00 39.64 37.60 1xmp n ILE 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1xmp n GLY 117 N 3.79 -0.76 0.30 7.39 0.00 -0.05 -4.24 105.19 111.62 1xmp n GLY 117 Ca 0.17 -1.38 -0.02 0.00 0.00 0.00 0.00 46.02 44.79 1xmp n GLY 117 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1xmp h LYS 118 N 0.00 0.79 -0.32 1.61 2.10 -1.88 -0.92 116.57 117.95 1xmp h LYS 118 Ca 0.00 -0.15 0.02 0.00 -2.00 0.00 0.00 60.65 58.53 1xmp h LYS 118 Cb 0.00 -0.13 -0.03 0.00 -0.90 0.00 0.00 32.23 31.18 1xmp h LYS 118 CO 0.00 0.70 0.16 0.00 -2.00 0.00 0.00 179.45 178.31 1xmp h ALA 119 N 1.39 0.39 -0.76 0.07 0.00 -1.88 -0.28 119.26 118.19 1xmp h ALA 119 Ca 0.18 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.13 1xmp h ALA 119 Cb 0.25 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 1xmp h ALA 119 CO -0.01 -0.22 0.48 0.78 0.00 0.00 0.00 179.25 180.28 1xmp h GLY 120 N 0.33 1.11 0.86 0.00 0.00 -1.25 -0.93 103.07 103.18 1xmp h GLY 120 Ca 0.13 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 1xmp h GLY 120 CO -0.10 0.30 0.05 0.23 0.00 0.00 0.00 176.54 177.03 1xmp h SER 121 N 0.94 0.35 -0.47 0.19 0.87 -0.61 0.23 113.55 115.05 1xmp h SER 121 Ca 0.31 -0.24 0.09 0.00 -1.23 0.00 0.00 61.79 60.71 1xmp h SER 121 Cb 0.03 -0.09 -0.07 0.00 -0.44 0.00 0.00 62.40 61.82 1xmp h SER 121 CO -0.12 0.51 0.04 0.74 -0.53 0.00 0.00 176.83 177.47 1xmp h THR 122 N 0.19 0.68 0.00 2.23 2.02 -0.96 -2.38 112.91 114.69 1xmp h THR 122 Ca 0.07 -0.05 -0.07 0.00 0.77 0.00 0.00 66.41 67.12 1xmp h THR 122 Cb 0.30 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 1xmp h THR 122 CO 0.00 0.03 -0.35 0.78 0.37 0.00 0.00 175.52 176.35 1xmp h ASN 123 N 0.16 0.00 -0.49 4.18 -0.26 -0.63 -2.30 115.58 116.23 1xmp h ASN 123 Ca 0.23 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.98 1xmp h ASN 123 Cb 0.33 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.57 1xmp h ASN 123 CO -0.36 0.35 0.32 0.00 -1.06 0.00 0.00 177.43 176.68 1xmp h ALA 124 N 1.65 0.63 -0.22 -0.83 0.00 -0.05 0.61 119.26 121.05 1xmp h ALA 124 Ca -0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1xmp h ALA 124 Cb 0.64 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1xmp h ALA 124 CO 0.05 0.08 0.13 0.78 0.00 0.00 0.00 179.25 180.29 1xmp h GLY 125 N 0.67 0.31 1.36 0.00 0.00 -1.18 -0.52 103.07 103.72 1xmp h GLY 125 Ca 0.18 -0.13 -0.06 0.00 0.00 0.00 0.00 47.33 47.33 1xmp h GLY 125 CO -0.04 0.12 0.09 1.41 0.00 0.00 0.00 176.54 178.12 1xmp h LEU 126 N 0.27 0.74 -0.44 3.11 3.38 -1.27 -1.60 115.31 119.50 1xmp h LEU 126 Ca 0.08 -0.14 -0.17 0.00 0.09 0.00 0.00 57.88 57.73 1xmp h LEU 126 Cb 0.02 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 1xmp h LEU 126 CO -0.01 0.76 -0.57 0.25 0.09 0.00 0.00 178.44 178.95 1xmp h LEU 127 N 0.76 0.71 -0.72 1.67 5.85 -0.68 0.61 115.31 123.51 1xmp h LEU 127 Ca 0.16 -0.39 -0.02 0.00 0.84 0.00 0.00 57.88 58.47 1xmp h LEU 127 Cb 0.34 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 1xmp h LEU 127 CO 0.00 1.13 0.36 0.00 -0.34 0.00 0.00 178.44 179.59 1xmp h ALA 128 N 0.88 0.93 -0.68 1.25 0.00 -0.89 -1.41 119.26 119.34 1xmp h ALA 128 Ca 0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1xmp h ALA 128 Cb 1.13 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1xmp h ALA 128 CO 0.11 0.48 0.28 0.00 0.00 0.00 0.00 179.25 180.13 1xmp h ALA 129 N 1.18 0.88 -0.44 0.00 0.00 -1.02 -1.77 119.26 118.10 1xmp h ALA 129 Ca 0.25 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1xmp h ALA 129 Cb 0.10 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1xmp h ALA 129 CO -0.03 0.49 0.09 1.96 0.00 0.00 0.00 179.25 181.76 1xmp h GLN 130 N 0.96 0.66 -0.10 0.00 4.20 -0.57 0.39 115.11 120.66 1xmp h GLN 130 Ca 0.23 -0.12 -0.02 0.00 0.06 0.00 0.00 58.65 58.80 1xmp h GLN 130 Cb 0.19 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 1xmp h GLN 130 CO -0.02 0.61 0.00 0.82 -0.67 0.00 0.00 178.83 179.57 1xmp h ILE 131 N 0.64 1.25 -0.51 2.54 2.04 -0.95 -1.92 117.51 120.61 1xmp h ILE 131 Ca 0.14 -0.80 -0.01 0.00 1.00 0.00 0.00 64.86 65.20 1xmp h ILE 131 Cb 0.26 1.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 1xmp h ILE 131 CO -0.00 0.23 0.29 -0.07 0.00 0.00 0.00 178.15 178.59 1xmp h LEU 132 N -0.10 0.64 -1.70 1.44 3.38 -1.20 -2.80 115.31 114.97 1xmp h LEU 132 Ca 0.03 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1xmp h LEU 132 Cb 0.35 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1xmp h LEU 132 CO 0.01 0.54 0.00 1.23 0.09 0.00 0.00 178.44 180.30 1xmp h GLY 133 N 0.68 0.00 2.00 0.83 0.00 -0.10 -1.65 103.07 104.84 1xmp h GLY 133 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 1xmp h GLY 133 CO -0.03 0.00 -0.05 1.48 0.00 0.00 0.00 176.54 177.94 1xmp h SER 134 N 0.00 0.00 0.00 0.19 4.64 -1.06 -3.14 113.55 114.18 1xmp h SER 134 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xmp h SER 134 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1xmp h SER 134 CO 0.00 0.05 -0.04 0.49 -0.87 0.00 0.00 176.83 176.46 1xmp n PHE 135 N -3.30 0.00 -3.62 4.77 3.01 -0.71 -4.96 117.46 112.64 1xmp n PHE 135 Ca -0.01 -0.26 -0.29 0.00 1.01 0.00 0.00 57.45 57.90 1xmp n PHE 135 Cb 0.21 -0.03 -0.14 0.00 -0.01 0.00 0.00 39.48 39.50 1xmp n PHE 135 CO 0.00 0.00 0.00 -1.01 1.01 0.00 0.00 176.76 176.76 1xmp s HIS 136 N -0.57 1.10 0.30 1.38 3.76 -0.70 -5.02 115.29 115.54 1xmp s HIS 136 Ca 0.02 -1.48 0.06 0.00 -0.15 0.00 0.00 55.06 53.51 1xmp s HIS 136 Cb 0.02 -1.33 0.75 0.00 1.11 0.00 0.00 32.58 33.13 1xmp s HIS 136 CO 0.00 -0.84 1.77 -0.44 -0.85 0.00 0.00 174.74 174.38 1xmp h ASP 137 N 7.92 0.78 -0.43 1.40 5.19 -1.89 -0.94 116.42 128.45 1xmp h ASP 137 Ca -0.12 0.10 -0.02 0.00 -0.62 0.00 0.00 57.03 56.37 1xmp h ASP 137 Cb 1.00 -0.04 -0.02 0.00 0.18 0.00 0.00 39.33 40.45 1xmp h ASP 137 CO 0.43 0.27 0.22 0.44 -3.12 0.00 0.00 179.24 177.48 1xmp h ASP 138 N 0.76 0.58 0.01 6.45 3.45 -1.95 0.48 116.42 126.21 1xmp h ASP 138 Ca 0.58 -0.05 -0.20 0.00 0.43 0.00 0.00 57.03 57.79 1xmp h ASP 138 Cb 0.92 -0.15 0.02 0.00 -0.56 0.00 0.00 39.33 39.56 1xmp h ASP 138 CO -0.39 0.50 -0.80 0.40 -1.57 0.00 0.00 179.24 177.38 1xmp h ILE 139 N 0.66 1.37 -0.09 0.35 2.04 -1.53 -2.53 117.51 117.77 1xmp h ILE 139 Ca 0.16 -2.18 0.01 0.00 1.00 0.00 0.00 64.86 63.85 1xmp h ILE 139 Cb 0.08 2.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.71 1xmp h ILE 139 CO -0.02 0.65 0.04 -0.74 0.00 0.00 0.00 178.15 178.08 1xmp h HIS 140 N 0.08 0.08 -0.65 1.37 2.76 -1.10 -0.76 115.15 116.92 1xmp h HIS 140 Ca -0.10 0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.14 1xmp h HIS 140 Cb 1.50 -0.02 -0.06 0.00 1.55 0.00 0.00 27.41 30.38 1xmp h HIS 140 CO 0.13 0.05 0.35 -0.44 -1.30 0.00 0.00 177.93 176.72 1xmp h ASP 141 N 0.10 0.49 0.25 3.26 3.32 -1.00 -0.10 116.42 122.75 1xmp h ASP 141 Ca 0.04 0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.07 1xmp h ASP 141 Cb 0.01 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 1xmp h ASP 141 CO -0.03 0.31 -0.26 0.00 -1.72 0.00 0.00 179.24 177.55 1xmp h ALA 142 N 1.36 1.55 -0.18 3.45 0.00 -1.14 0.86 119.26 125.15 1xmp h ALA 142 Ca 0.30 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 1xmp h ALA 142 Cb 0.23 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1xmp h ALA 142 CO -0.20 0.34 -0.51 -0.07 0.00 0.00 0.00 179.25 178.80 1xmp h LEU 143 N 0.02 0.77 -0.40 0.00 3.38 -0.01 -2.41 115.31 116.65 1xmp h LEU 143 Ca 0.00 -0.58 -0.01 0.00 0.09 0.00 0.00 57.88 57.37 1xmp h LEU 143 Cb 0.47 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1xmp h LEU 143 CO 0.03 1.21 0.19 -0.33 0.09 0.00 0.00 178.44 179.64 1xmp h GLU 144 N 0.36 0.57 -0.83 1.13 4.39 -0.61 -1.74 114.58 117.84 1xmp h GLU 144 Ca -0.01 -0.08 0.01 0.00 0.34 0.00 0.00 59.36 59.62 1xmp h GLU 144 Cb 1.13 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 29.63 1xmp h GLU 144 CO 0.11 0.50 0.55 1.37 -1.16 0.00 0.00 179.01 180.37 1xmp h LEU 145 N 0.50 0.94 -0.35 1.33 8.10 -0.89 -0.87 115.31 124.07 1xmp h LEU 145 Ca 0.14 -0.02 -0.05 0.00 0.11 0.00 0.00 57.88 58.06 1xmp h LEU 145 Cb 0.11 -0.23 -0.01 0.00 -0.44 0.00 0.00 40.66 40.09 1xmp h LEU 145 CO -0.02 0.67 0.03 -0.09 -4.11 0.00 0.00 178.44 174.92 1xmp h ARG 146 N 1.10 0.60 -0.46 0.17 2.43 -1.24 -1.56 114.38 115.43 1xmp h ARG 146 Ca 0.31 -0.18 -0.05 0.00 -0.81 0.00 0.00 59.98 59.25 1xmp h ARG 146 Cb -0.10 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.37 1xmp h ARG 146 CO -0.08 0.70 0.08 -0.09 -1.51 0.00 0.00 179.97 179.07 1xmp h ARG 147 N 0.42 0.76 -0.98 0.20 2.43 -1.16 -2.34 114.38 113.71 1xmp h ARG 147 Ca 0.10 -0.20 0.08 0.00 -0.81 0.00 0.00 59.98 59.15 1xmp h ARG 147 Cb 0.41 -0.09 -0.07 0.00 -0.42 0.00 0.00 29.97 29.80 1xmp h ARG 147 CO 0.01 0.77 0.62 1.49 -1.51 0.00 0.00 179.97 181.36 1xmp h GLU 148 N 0.62 1.05 -0.32 0.20 4.81 -1.09 -1.16 114.58 118.69 1xmp h GLU 148 Ca 0.14 -0.06 -0.16 0.00 -0.13 0.00 0.00 59.36 59.15 1xmp h GLU 148 Cb 0.38 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1xmp h GLU 148 CO 0.01 0.70 -0.43 0.00 -0.73 0.00 0.00 179.01 178.55 1xmp h ALA 149 N 1.47 0.63 -0.39 2.92 0.00 -1.04 -2.28 119.26 120.56 1xmp h ALA 149 Ca 0.44 -0.47 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1xmp h ALA 149 Cb 0.26 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1xmp h ALA 149 CO -0.20 0.67 -0.12 0.82 0.00 0.00 0.00 179.25 180.42 1xmp h ILE 150 N 0.66 1.28 0.03 0.00 2.04 -1.30 -2.53 117.51 117.68 1xmp h ILE 150 Ca 0.04 -1.22 0.03 0.00 1.00 0.00 0.00 64.86 64.71 1xmp h ILE 150 Cb 1.01 1.25 -0.04 0.00 -0.74 0.00 0.00 36.82 38.30 1xmp h ILE 150 CO 0.10 0.41 -0.24 -0.08 0.00 0.00 0.00 178.15 178.33 1xmp h GLU 151 N 0.58 -0.38 -0.50 2.37 4.22 -1.10 -0.46 114.58 119.31 1xmp h GLU 151 Ca 0.10 0.03 -0.03 0.00 0.08 0.00 0.00 59.36 59.53 1xmp h GLU 151 Cb 0.65 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 1xmp h GLU 151 CO 0.04 -0.25 0.17 1.57 -2.18 0.00 0.00 179.01 178.36 1xmp h LYS 152 N -0.39 0.73 -0.09 1.92 5.09 -1.43 -1.02 116.57 121.38 1xmp h LYS 152 Ca 0.05 -0.12 -0.18 0.00 0.09 0.00 0.00 60.65 60.50 1xmp h LYS 152 Cb 0.46 -0.13 -0.01 0.00 0.10 0.00 0.00 32.23 32.66 1xmp h LYS 152 CO -0.20 0.62 -0.71 0.22 -2.09 0.00 0.00 179.45 177.30 1xmp h ASP 153 N 0.72 0.48 -0.16 7.07 3.58 -1.02 -0.73 116.42 126.36 1xmp h ASP 153 Ca 0.17 -0.31 -0.09 0.00 0.42 0.00 0.00 57.03 57.22 1xmp h ASP 153 Cb 0.19 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 41.09 1xmp h ASP 153 CO -0.01 1.04 -0.25 0.58 -2.88 0.00 0.00 179.24 177.72 1xmp h VAL 154 N 0.28 1.35 -0.23 2.25 2.07 -0.86 -3.30 116.25 117.81 1xmp h VAL 154 Ca -0.03 -1.47 -0.01 0.00 0.82 0.00 0.00 66.70 66.01 1xmp h VAL 154 Cb 1.28 1.92 -0.01 0.00 -1.52 0.00 0.00 31.29 32.96 1xmp h VAL 154 CO 0.12 0.44 0.11 -0.09 0.02 0.00 0.00 177.57 178.18 1xmp h ARG 155 N 0.08 0.34 -0.03 1.57 2.43 -1.20 -3.51 114.38 114.06 1xmp h ARG 155 Ca 0.01 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1xmp h ARG 155 Cb 0.82 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 1xmp h ARG 155 CO 0.06 0.34 0.00 0.39 -1.51 0.00 0.00 179.97 179.25