#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d1u s GLN 2 N 0.00 4.14 -0.06 0.00 2.00 -1.26 -2.55 119.66 121.93 2d1u s GLN 2 Ca 0.00 2.62 -0.01 0.00 -2.00 0.00 0.00 55.36 55.97 2d1u s GLN 2 Cb 0.00 -4.02 0.03 0.00 0.80 0.00 0.00 33.01 29.82 2d1u s GLN 2 CO 0.00 -0.93 0.01 0.08 -0.50 0.00 0.00 175.29 173.95 2d1u s VAL 3 N 4.02 0.26 -0.26 1.34 1.01 0.83 -4.92 120.40 122.68 2d1u s VAL 3 Ca 0.87 0.19 0.01 0.00 0.00 0.00 0.00 61.98 63.05 2d1u s VAL 3 Cb -0.44 -0.43 0.05 0.00 0.00 0.00 0.00 36.38 35.56 2d1u s VAL 3 CO 0.41 0.24 -0.08 0.54 0.00 0.00 0.00 175.10 176.20 2d1u s ASN 4 N 1.95 4.45 -0.05 3.32 4.22 -1.26 -2.79 114.94 124.78 2d1u s ASN 4 Ca 0.04 -1.25 0.06 0.00 -2.14 0.00 0.00 52.86 49.57 2d1u s ASN 4 Cb -0.12 -1.60 -0.01 0.00 1.28 0.00 0.00 41.25 40.80 2d1u s ASN 4 CO -0.04 -0.19 -0.25 -0.63 -2.04 0.00 0.00 177.10 173.95 2d1u s ILE 5 N 1.18 2.07 -0.06 0.54 1.01 -0.45 -4.92 121.20 120.56 2d1u s ILE 5 Ca -0.06 -1.07 -0.22 0.00 0.00 0.00 0.00 60.65 59.30 2d1u s ILE 5 Cb -0.19 -1.74 -0.04 0.00 0.01 0.00 0.00 42.46 40.50 2d1u s ILE 5 CO -0.05 0.57 0.65 0.00 0.00 0.00 0.00 174.94 176.11 2d1u s ALA 6 N -0.24 3.39 1.00 9.38 0.00 -1.26 -2.66 121.76 131.37 2d1u s ALA 6 Ca -0.01 0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.01 2d1u s ALA 6 Cb -0.13 -2.87 0.00 0.00 0.00 0.00 0.00 23.12 20.12 2d1u s ALA 6 CO 0.03 -0.03 0.00 -0.35 0.00 0.00 0.00 175.76 175.41 2d1u n PRO 7 N 3.53 0.12 0.00 0.00 -0.04 -1.26 -4.67 135.00 132.68 2d1u n PRO 7 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 2d1u n PRO 7 Cb 0.51 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.97 2d1u n PRO 7 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2d1u n GLY 8 N 2.44 1.07 0.00 0.55 0.00 -1.25 -3.93 105.19 104.07 2d1u n GLY 8 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2d1u n GLY 8 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2d1u n SER 9 N 0.00 0.00 0.10 1.61 7.64 -1.26 -4.55 113.62 117.16 2d1u n SER 9 Ca 0.00 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.73 2d1u n SER 9 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 2d1u n SER 9 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2d1u h LEU 10 N 0.00 -1.42 -1.06 -3.43 6.46 -1.73 0.87 115.31 115.00 2d1u h LEU 10 Ca 0.00 0.16 0.10 0.00 -0.12 0.00 0.00 57.88 58.01 2d1u h LEU 10 Cb 0.00 0.54 -0.07 0.00 -0.73 0.00 0.00 40.66 40.39 2d1u h LEU 10 CO 0.00 -0.52 0.63 -2.24 -0.62 0.00 0.00 178.44 175.69 2d1u h ASP 11 N -0.69 0.94 0.63 1.25 2.03 -1.92 -0.83 116.42 117.84 2d1u h ASP 11 Ca 0.02 0.03 -0.03 0.00 -0.73 0.00 0.00 57.03 56.31 2d1u h ASP 11 Cb 0.72 -0.17 0.00 0.00 -0.83 0.00 0.00 39.33 39.06 2d1u h ASP 11 CO -0.29 0.55 -0.31 0.50 -1.03 0.00 0.00 179.24 178.66 2d1u h LYS 12 N 1.04 -0.83 -0.39 4.15 1.63 -1.69 -0.10 116.57 120.38 2d1u h LYS 12 Ca 0.45 0.06 0.05 0.00 -0.85 0.00 0.00 60.65 60.36 2d1u h LYS 12 Cb 0.36 0.19 -0.02 0.00 -0.60 0.00 0.00 32.23 32.15 2d1u h LYS 12 CO -0.21 -0.55 0.26 0.00 -3.45 0.00 0.00 179.45 175.50 2d1u h ALA 13 N -0.49 1.95 0.23 5.00 0.00 -0.49 -0.26 119.26 125.20 2d1u h ALA 13 Ca -0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2d1u h ALA 13 Cb 0.67 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2d1u h ALA 13 CO 0.13 -0.01 -0.11 1.25 0.00 0.00 0.00 179.25 180.51 2d1u h LEU 14 N 0.33 -0.26 -1.57 0.00 5.85 -0.76 -2.78 115.31 116.12 2d1u h LEU 14 Ca 0.16 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 2d1u h LEU 14 Cb 0.24 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 2d1u h LEU 14 CO -0.04 0.13 0.05 0.78 -0.34 0.00 0.00 178.44 179.02 2d1u h ASN 15 N -0.70 0.29 0.57 1.25 2.35 -0.67 0.27 115.58 118.94 2d1u h ASN 15 Ca -0.03 -0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.66 2d1u h ASN 15 Cb 0.48 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.78 2d1u h ASN 15 CO 0.05 0.31 -0.31 1.56 -1.65 0.00 0.00 177.43 177.39 2d1u h GLN 16 N 0.32 -0.79 -0.05 0.81 1.08 -1.00 -1.20 115.11 114.28 2d1u h GLN 16 Ca 0.08 0.05 -0.18 0.00 -1.45 0.00 0.00 58.65 57.15 2d1u h GLN 16 Cb 0.14 0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.75 2d1u h GLN 16 CO -0.00 -0.53 -0.74 0.10 -0.95 0.00 0.00 178.83 176.71 2d1u h TYR 17 N -0.82 0.42 -0.70 2.96 -0.00 -1.32 -2.75 116.97 114.76 2d1u h TYR 17 Ca -0.07 -0.19 0.06 0.00 0.00 0.00 0.00 58.73 58.52 2d1u h TYR 17 Cb 0.65 -0.06 -0.06 0.00 0.00 0.00 0.00 36.73 37.26 2d1u h TYR 17 CO -0.07 0.94 0.40 0.00 -0.00 0.00 0.00 178.16 179.44 2d1u h ALA 18 N 1.00 0.95 0.00 0.10 0.00 -0.36 -1.13 119.26 119.82 2d1u h ALA 18 Ca -0.03 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2d1u h ALA 18 Cb 1.32 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2d1u h ALA 18 CO 0.12 0.10 -0.36 0.00 0.00 0.00 0.00 179.25 179.11 2d1u h ALA 19 N 1.36 0.83 0.00 0.00 0.00 -1.22 -1.91 119.26 118.31 2d1u h ALA 19 Ca 0.31 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2d1u h ALA 19 Cb 0.18 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2d1u h ALA 19 CO -0.18 0.44 -0.40 0.45 0.00 0.00 0.00 179.25 179.57 2d1u h HIS 20 N 0.00 0.00 0.05 0.00 -0.00 -0.93 -3.23 115.15 111.04 2d1u h HIS 20 Ca -0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 60.37 60.01 2d1u h HIS 20 Cb 1.14 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 28.50 2d1u h HIS 20 CO 0.00 0.40 -2.13 0.43 -0.00 0.00 0.00 177.93 176.63 2d1u n SER 21 N -3.59 1.62 0.00 2.45 7.64 -0.62 -5.01 113.62 116.11 2d1u n SER 21 Ca -0.00 0.12 0.00 0.00 1.01 0.00 0.00 58.87 60.00 2d1u n SER 21 Cb 0.51 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 2d1u n SER 21 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d1u n GLY 22 N 1.96 0.78 3.72 0.23 0.00 -0.72 -5.05 105.19 106.10 2d1u n GLY 22 Ca -0.33 -0.60 -0.26 0.00 0.00 0.00 0.00 46.02 44.83 2d1u n GLY 22 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2d1u s PHE 23 N -2.00 2.57 0.06 1.61 -0.71 -1.22 -5.07 117.98 113.22 2d1u s PHE 23 Ca 0.00 -0.61 0.01 0.00 -1.04 0.00 0.00 56.93 55.29 2d1u s PHE 23 Cb 0.00 -1.92 -0.04 0.00 -1.21 0.00 0.00 43.02 39.85 2d1u s PHE 23 CO 0.00 0.24 0.14 0.99 -1.34 0.00 0.00 175.22 175.25 2d1u s THR 24 N -2.63 4.97 0.01 -4.49 2.01 -1.19 -4.80 115.64 109.53 2d1u s THR 24 Ca 0.39 -0.55 0.01 0.00 0.31 0.00 0.00 61.69 61.85 2d1u s THR 24 Cb 0.05 -3.40 -0.01 0.00 0.01 0.00 0.00 72.50 69.15 2d1u s THR 24 CO 0.21 0.15 -0.04 -0.22 -0.69 0.00 0.00 174.62 174.04 2d1u s LEU 25 N -2.39 2.13 -0.31 4.42 2.96 -1.26 -1.67 118.68 122.56 2d1u s LEU 25 Ca 0.31 -0.29 0.02 0.00 -0.22 0.00 0.00 54.13 53.95 2d1u s LEU 25 Cb -0.13 -0.06 0.09 0.00 0.50 0.00 0.00 46.19 46.60 2d1u s LEU 25 CO 0.24 -0.13 0.04 -0.94 -1.32 0.00 0.00 176.35 174.25 2d1u s SER 26 N -0.82 4.39 -0.01 3.68 1.04 0.14 -4.92 113.70 117.19 2d1u s SER 26 Ca -0.07 -1.82 0.03 0.00 0.48 0.00 0.00 55.95 54.56 2d1u s SER 26 Cb -0.06 -1.32 -0.00 0.00 0.10 0.00 0.00 66.02 64.74 2d1u s SER 26 CO -0.00 -0.36 -0.08 0.54 0.98 0.00 0.00 173.24 174.31 2d1u s VAL 27 N 1.20 0.69 -0.79 5.02 0.11 -1.26 -3.08 120.40 122.30 2d1u s VAL 27 Ca 0.07 -0.35 -0.25 0.00 -2.93 0.00 0.00 61.98 58.52 2d1u s VAL 27 Cb -0.18 -0.60 -0.00 0.00 -1.53 0.00 0.00 36.38 34.06 2d1u s VAL 27 CO -0.13 0.21 1.69 -1.81 -3.33 0.00 0.00 175.10 171.72 2d1u s ASP 28 N -0.04 5.64 0.00 3.54 1.01 -1.26 -4.79 116.67 120.77 2d1u s ASP 28 Ca 0.01 -0.42 0.22 0.00 0.71 0.00 0.00 52.55 53.07 2d1u s ASP 28 Cb -0.05 -2.55 1.34 0.00 1.01 0.00 0.00 42.92 42.66 2d1u s ASP 28 CO -0.00 -2.21 1.77 0.00 0.21 0.00 0.00 175.17 174.94 2d1u n ALA 29 N 11.67 2.47 -0.10 5.23 0.00 -1.26 -3.92 120.51 134.61 2d1u n ALA 29 Ca 0.24 -0.14 -0.06 0.00 0.00 0.00 0.00 53.44 53.48 2d1u n ALA 29 Cb 0.50 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.59 2d1u n ALA 29 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2d1u h SER 30 N 0.00 -0.72 0.65 0.00 0.87 -1.99 0.79 113.55 113.15 2d1u h SER 30 Ca 0.00 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 2d1u h SER 30 Cb 0.00 0.37 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 2d1u h SER 30 CO 0.00 -0.25 -0.21 0.00 -0.53 0.00 0.00 176.83 175.84 2d1u n LEU 31 N -5.38 0.31 0.12 2.23 -0.00 -1.25 -3.61 117.00 109.42 2d1u n LEU 31 Ca 0.01 0.19 -0.03 0.00 -0.00 0.00 0.00 56.01 56.18 2d1u n LEU 31 Cb 0.29 -0.32 0.09 0.00 -0.00 0.00 0.00 43.42 43.48 2d1u n LEU 31 CO 0.12 0.07 0.40 0.74 -0.00 0.00 0.00 177.39 178.72 2d1u h THR 32 N 0.16 1.51 -1.14 1.47 2.02 -1.06 -3.44 112.91 112.44 2d1u h THR 32 Ca 0.00 -2.47 -0.59 0.00 0.77 0.00 0.00 66.41 64.11 2d1u h THR 32 Cb 0.46 2.34 -0.02 0.00 -1.74 0.00 0.00 68.15 69.19 2d1u h THR 32 CO 0.00 0.70 1.52 0.54 0.37 0.00 0.00 175.52 178.66 2d1u n ARG 33 N -3.67 1.00 0.00 6.66 5.12 -0.73 0.11 116.66 125.15 2d1u n ARG 33 Ca -0.01 0.21 0.00 0.00 -1.93 0.00 0.00 57.85 56.12 2d1u n ARG 33 Cb 0.70 -2.62 0.00 0.00 -1.16 0.00 0.00 32.46 29.38 2d1u n ARG 33 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2d1u n GLY 34 N 6.36 1.14 3.35 -0.13 0.00 -1.26 -5.10 105.19 109.54 2d1u n GLY 34 Ca 0.43 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.21 2d1u n GLY 34 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2d1u s LYS 35 N -0.58 1.31 0.52 1.61 2.20 0.12 -5.12 119.74 119.80 2d1u s LYS 35 Ca 0.00 -1.38 0.02 0.00 -0.36 0.00 0.00 55.97 54.25 2d1u s LYS 35 Cb 0.00 -1.50 -0.00 0.00 -1.51 0.00 0.00 37.83 34.82 2d1u s LYS 35 CO 0.00 0.32 0.07 1.14 -0.36 0.00 0.00 175.35 176.53 2d1u s GLN 36 N -2.54 2.21 0.09 4.03 0.00 -1.26 -2.57 119.66 119.61 2d1u s GLN 36 Ca 0.15 -2.33 -0.18 0.00 -0.00 0.00 0.00 55.36 52.99 2d1u s GLN 36 Cb -0.07 -1.63 0.04 0.00 0.00 0.00 0.00 33.01 31.34 2d1u s GLN 36 CO 0.07 -0.41 0.44 0.45 0.00 0.00 0.00 175.29 175.85 2d1u s SER 37 N -3.95 -0.32 -0.09 12.60 0.15 -1.26 -4.51 113.70 116.31 2d1u s SER 37 Ca 0.11 -0.10 -0.30 0.00 0.70 0.00 0.00 55.95 56.36 2d1u s SER 37 Cb 0.01 0.47 -0.02 0.00 -1.71 0.00 0.00 66.02 64.78 2d1u s SER 37 CO 0.06 -0.78 1.07 0.20 1.20 0.00 0.00 173.24 174.99 2d1u s ASN 38 N -2.41 7.18 0.91 5.45 0.01 -1.20 -3.97 114.94 120.91 2d1u s ASN 38 Ca -0.01 1.61 0.00 0.00 -0.71 0.00 0.00 52.86 53.75 2d1u s ASN 38 Cb 0.00 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 39.11 2d1u s ASN 38 CO -0.07 -0.50 0.00 0.61 -1.51 0.00 0.00 177.10 175.63 2d1u n GLY 39 N 3.19 -3.17 3.68 0.66 0.00 -1.26 -4.32 105.19 103.97 2d1u n GLY 39 Ca 0.10 -1.32 -0.24 0.00 0.00 0.00 0.00 46.02 44.56 2d1u n GLY 39 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2d1u s LEU 40 N 0.00 3.33 -0.29 0.99 2.96 -1.09 -4.59 118.68 119.99 2d1u s LEU 40 Ca 0.00 -0.51 0.04 0.00 -0.22 0.00 0.00 54.13 53.45 2d1u s LEU 40 Cb 0.00 -1.89 0.20 0.00 0.50 0.00 0.00 46.19 45.00 2d1u s LEU 40 CO 0.00 0.02 0.62 -2.28 -1.32 0.00 0.00 176.35 173.39 2d1u s HIS 41 N -2.12 -1.76 -1.87 5.38 2.46 -1.12 -1.35 115.29 114.92 2d1u s HIS 41 Ca 0.30 1.11 0.00 0.00 0.47 0.00 0.00 55.06 56.94 2d1u s HIS 41 Cb -0.07 0.33 0.00 0.00 -0.13 0.00 0.00 32.58 32.71 2d1u s HIS 41 CO 0.20 -1.02 0.00 0.41 -2.47 0.00 0.00 174.74 171.86 2d1u n GLY 42 N 5.41 0.56 3.60 1.59 0.00 -1.12 -4.94 105.19 110.27 2d1u n GLY 42 Ca 0.05 -2.16 -0.41 0.00 0.00 0.00 0.00 46.02 43.49 2d1u n GLY 42 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2d1u s ASP 43 N -3.50 6.47 -0.18 1.61 -4.77 -1.26 -0.12 116.67 114.92 2d1u s ASP 43 Ca 0.00 0.41 -0.09 0.00 -3.30 0.00 0.00 52.55 49.57 2d1u s ASP 43 Cb 0.00 -2.32 0.07 0.00 -1.09 0.00 0.00 42.92 39.58 2d1u s ASP 43 CO 0.00 -0.45 0.42 -0.31 0.70 0.00 0.00 175.17 175.53 2d1u s TYR 44 N 2.54 -0.66 0.90 2.11 2.02 -1.06 -4.70 117.35 118.51 2d1u s TYR 44 Ca 0.24 1.37 -0.15 0.00 -0.37 0.00 0.00 57.07 58.16 2d1u s TYR 44 Cb -0.15 0.28 0.23 0.00 -0.40 0.00 0.00 41.96 41.92 2d1u s TYR 44 CO 0.11 -0.38 0.51 -0.25 -1.57 0.00 0.00 175.55 173.98 2d1u n ASP 45 N 4.53 -3.25 -0.11 2.29 8.00 -1.26 -4.08 116.55 122.66 2d1u n ASP 45 Ca -0.20 -0.52 -0.08 0.00 0.71 0.00 0.00 54.79 54.70 2d1u n ASP 45 Cb 0.54 -0.61 -0.00 0.00 -0.02 0.00 0.00 41.12 41.02 2d1u n ASP 45 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 2d1u h VAL 46 N -2.96 1.07 0.10 2.53 3.04 -1.97 0.34 116.25 118.40 2d1u h VAL 46 Ca -0.23 -0.16 -0.00 0.00 -1.01 0.00 0.00 66.70 65.29 2d1u h VAL 46 Cb 0.79 0.56 0.00 0.00 -2.01 0.00 0.00 31.29 30.63 2d1u h VAL 46 CO 0.14 0.09 -0.05 -0.33 -1.01 0.00 0.00 177.57 176.41 2d1u h GLU 47 N 0.47 -0.12 -0.19 4.17 5.08 -1.99 -1.72 114.58 120.28 2d1u h GLU 47 Ca 0.14 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.55 2d1u h GLU 47 Cb -0.03 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 2d1u h GLU 47 CO -0.04 0.40 -0.11 0.77 -1.00 0.00 0.00 179.01 179.03 2d1u h SER 48 N -0.81 -0.35 -0.50 1.42 0.02 -1.88 -1.92 113.55 109.53 2d1u h SER 48 Ca -0.01 0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 2d1u h SER 48 Cb 0.58 0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.29 2d1u h SER 48 CO 0.02 -0.14 0.20 1.23 -1.14 0.00 0.00 176.83 177.00 2d1u h GLY 49 N -0.10 0.80 0.19 -3.77 0.00 -0.43 -2.05 103.07 97.71 2d1u h GLY 49 Ca 0.11 -0.44 0.06 0.00 0.00 0.00 0.00 47.33 47.06 2d1u h GLY 49 CO -0.25 0.41 -0.25 -2.00 0.00 0.00 0.00 176.54 174.45 2d1u h LEU 50 N 0.67 -0.79 -1.87 3.11 5.85 -0.87 0.92 115.31 122.32 2d1u h LEU 50 Ca 0.17 0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.99 2d1u h LEU 50 Cb 0.20 0.36 -0.00 0.00 0.37 0.00 0.00 40.66 41.58 2d1u h LEU 50 CO -0.01 -0.29 -0.13 1.56 -0.34 0.00 0.00 178.44 179.22 2d1u h GLN 51 N -0.28 0.00 0.00 1.25 1.08 -1.29 -1.87 115.11 113.99 2d1u h GLN 51 Ca 0.12 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.21 2d1u h GLN 51 Cb 0.47 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.88 2d1u h GLN 51 CO -0.36 0.13 -0.53 1.96 -0.95 0.00 0.00 178.83 179.08 2d1u h GLN 52 N 0.00 0.00 0.10 1.46 1.08 -0.15 0.24 115.11 117.84 2d1u h GLN 52 Ca -0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.19 2d1u h GLN 52 Cb 0.34 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.77 2d1u h GLN 52 CO 0.02 0.53 -0.05 -0.07 -0.95 0.00 0.00 178.83 178.31 2d1u h LEU 53 N 0.00 -0.11 -0.07 1.46 -0.00 -0.25 -3.24 115.31 113.11 2d1u h LEU 53 Ca -0.01 -0.47 0.00 0.00 -0.00 0.00 0.00 57.88 57.40 2d1u h LEU 53 Cb 1.09 0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.78 2d1u h LEU 53 CO 0.07 0.52 -0.02 0.00 -0.00 0.00 0.00 178.44 179.01 2d1u n LEU 54 N -4.84 0.12 -4.57 1.67 -0.00 -1.10 -3.22 117.00 105.05 2d1u n LEU 54 Ca -0.08 0.11 -0.58 0.00 -0.00 0.00 0.00 56.01 55.46 2d1u n LEU 54 Cb 0.28 -0.15 -0.08 0.00 -0.00 0.00 0.00 43.42 43.47 2d1u n LEU 54 CO 0.26 0.02 1.49 -0.67 -0.00 0.00 0.00 177.39 178.50 2d1u n ASP 55 N -1.08 1.91 0.00 1.45 -0.08 0.07 -3.19 116.55 115.64 2d1u n ASP 55 Ca 0.18 0.86 0.00 0.00 -1.51 0.00 0.00 54.79 54.32 2d1u n ASP 55 Cb 0.20 -1.10 0.00 0.00 2.34 0.00 0.00 41.12 42.56 2d1u n ASP 55 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2d1u n GLY 56 N 5.33 0.48 0.23 0.27 0.00 -1.26 -4.74 105.19 105.49 2d1u n GLY 56 Ca 0.36 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.38 2d1u n GLY 56 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2d1u n SER 57 N 0.00 3.08 -1.07 1.61 3.41 -1.19 -5.13 113.62 114.33 2d1u n SER 57 Ca 0.00 -0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2d1u n SER 57 Cb 0.00 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2d1u n SER 57 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d1u n GLY 58 N 3.38 -2.04 3.24 5.00 0.00 -1.26 -5.04 105.19 108.48 2d1u n GLY 58 Ca -0.00 -0.50 -0.15 0.00 0.00 0.00 0.00 46.02 45.36 2d1u n GLY 58 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2d1u s LEU 59 N 0.00 1.42 0.02 0.99 1.02 -1.26 -4.15 118.68 116.72 2d1u s LEU 59 Ca 0.00 -1.56 0.02 0.00 0.02 0.00 0.00 54.13 52.62 2d1u s LEU 59 Cb 0.00 0.47 -0.04 0.00 0.02 0.00 0.00 46.19 46.65 2d1u s LEU 59 CO 0.00 -0.94 -0.01 0.00 0.02 0.00 0.00 176.35 175.41 2d1u s GLN 60 N -3.83 2.70 -0.14 1.70 -2.07 -0.57 -4.87 119.66 112.59 2d1u s GLN 60 Ca 0.40 -0.68 0.00 0.00 -1.82 0.00 0.00 55.36 53.26 2d1u s GLN 60 Cb 0.05 -2.62 0.02 0.00 -1.09 0.00 0.00 33.01 29.38 2d1u s GLN 60 CO 0.19 0.60 -0.11 0.08 -1.32 0.00 0.00 175.29 174.73 2d1u s VAL 61 N -1.12 1.34 0.00 3.63 1.01 -1.26 -1.82 120.40 122.18 2d1u s VAL 61 Ca 0.20 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.71 2d1u s VAL 61 Cb -0.11 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 34.96 2d1u s VAL 61 CO 0.11 0.41 -0.09 -1.59 0.00 0.00 0.00 175.10 173.94 2d1u s LYS 62 N 1.58 0.73 0.81 2.72 0.00 -1.04 -4.91 119.74 119.61 2d1u s LYS 62 Ca 0.05 -0.38 -0.11 0.00 0.00 0.00 0.00 55.97 55.53 2d1u s LYS 62 Cb -0.13 -0.69 0.08 0.00 0.00 0.00 0.00 37.83 37.08 2d1u s LYS 62 CO -0.10 0.19 1.09 -1.25 0.00 0.00 0.00 175.35 175.28 2d1u s PRO 63 N -0.37 1.99 0.16 1.78 0.04 -1.26 -1.06 135.00 136.28 2d1u s PRO 63 Ca 0.02 1.08 0.00 0.00 0.04 0.00 0.00 61.00 62.14 2d1u s PRO 63 Cb -0.04 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.63 2d1u s PRO 63 CO -0.00 -1.80 0.00 1.28 0.04 0.00 0.00 177.00 176.51 2d1u n LEU 64 N -3.62 0.63 0.00 -3.56 4.77 0.35 -4.86 117.00 110.71 2d1u n LEU 64 Ca 0.09 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 2d1u n LEU 64 Cb 0.54 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 2d1u n LEU 64 CO 0.54 -0.74 0.00 0.61 -1.33 0.00 0.00 177.39 176.47 2d1u n GLY 65 N 2.78 3.14 3.57 -0.72 0.00 -1.25 -4.97 105.19 107.74 2d1u n GLY 65 Ca 0.00 -0.39 -0.26 0.00 0.00 0.00 0.00 46.02 45.36 2d1u n GLY 65 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2d1u s ASN 66 N 1.00 5.00 -0.63 1.61 2.47 -1.26 -3.88 114.94 119.25 2d1u s ASN 66 Ca 0.00 -1.04 -0.03 0.00 0.42 0.00 0.00 52.86 52.21 2d1u s ASN 66 Cb 0.00 -2.57 0.03 0.00 -1.45 0.00 0.00 41.25 37.25 2d1u s ASN 66 CO 0.00 -2.98 0.11 -3.20 -3.72 0.00 0.00 177.10 167.31 2d1u n ASN 67 N 14.49 -2.31 -4.55 -4.21 5.15 -1.26 -4.57 115.26 118.00 2d1u n ASN 67 Ca 0.42 0.17 -0.41 0.00 -0.60 0.00 0.00 54.58 54.16 2d1u n ASN 67 Cb 0.47 -2.03 -0.09 0.00 -0.53 0.00 0.00 39.78 37.59 2d1u n ASN 67 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2d1u s SER 68 N -2.19 6.18 0.14 1.20 0.15 -1.25 -3.17 113.70 114.76 2d1u s SER 68 Ca 0.11 -0.21 0.03 0.00 0.70 0.00 0.00 55.95 56.59 2d1u s SER 68 Cb -0.06 -2.20 -0.04 0.00 -1.71 0.00 0.00 66.02 62.02 2d1u s SER 68 CO 0.14 -0.33 0.19 0.26 1.20 0.00 0.00 173.24 174.70 2d1u s TRP 69 N 2.01 3.31 0.01 3.44 0.52 -0.67 0.13 118.94 127.69 2d1u s TRP 69 Ca 0.12 0.07 0.05 0.00 0.02 0.00 0.00 56.10 56.35 2d1u s TRP 69 Cb -0.16 -1.60 -0.02 0.00 -1.15 0.00 0.00 33.47 30.54 2d1u s TRP 69 CO 0.12 0.53 -0.15 -0.08 0.02 0.00 0.00 176.95 177.38 2d1u s THR 70 N -1.68 1.20 -0.23 2.01 -1.32 -0.22 0.25 115.64 115.65 2d1u s THR 70 Ca 0.32 -0.79 -0.08 0.00 -1.21 0.00 0.00 61.69 59.92 2d1u s THR 70 Cb -0.11 -1.03 -0.04 0.00 -1.51 0.00 0.00 72.50 69.81 2d1u s THR 70 CO 0.25 0.22 0.10 -0.76 -2.21 0.00 0.00 174.62 172.22 2d1u s LEU 71 N -0.66 3.79 0.14 9.08 2.01 -1.18 -2.51 118.68 129.35 2d1u s LEU 71 Ca 0.05 -0.01 0.04 0.00 0.01 0.00 0.00 54.13 54.22 2d1u s LEU 71 Cb -0.07 -2.00 -0.04 0.00 0.01 0.00 0.00 46.19 44.09 2d1u s LEU 71 CO 0.00 0.06 -0.10 -1.61 1.01 0.00 0.00 176.35 175.71 2d1u s GLU 72 N 1.05 1.03 -0.04 1.70 0.41 -0.76 -4.73 118.70 117.37 2d1u s GLU 72 Ca 0.05 -1.42 -0.30 0.00 -0.41 0.00 0.00 54.97 52.90 2d1u s GLU 72 Cb -0.14 -0.60 -0.05 0.00 -1.78 0.00 0.00 34.13 31.56 2d1u s GLU 72 CO 0.04 0.07 1.48 -1.25 -0.49 0.00 0.00 175.26 175.10 2d1u s PRO 73 N -3.66 4.24 0.27 0.39 0.04 -1.26 -1.51 135.00 133.51 2d1u s PRO 73 Ca 0.15 2.01 0.09 0.00 0.04 0.00 0.00 61.00 63.30 2d1u s PRO 73 Cb 0.02 -3.73 -0.04 0.00 0.04 0.00 0.00 34.50 30.79 2d1u s PRO 73 CO 0.00 -0.69 0.02 0.00 0.04 0.00 0.00 177.00 176.37 2d1u s ALA 74 N 3.08 3.21 0.94 8.56 0.00 -1.26 -4.84 121.76 131.44 2d1u s ALA 74 Ca 0.66 -1.66 -0.12 0.00 0.00 0.00 0.00 51.96 50.84 2d1u s ALA 74 Cb -0.31 -0.79 0.15 0.00 0.00 0.00 0.00 23.12 22.17 2d1u s ALA 74 CO 0.26 0.25 1.09 -1.25 0.00 0.00 0.00 175.76 176.11 2d1u s PRO 75 N -3.70 0.94 0.96 0.00 0.04 -1.26 -4.87 135.00 127.10 2d1u s PRO 75 Ca 0.32 0.70 -0.13 0.00 0.04 0.00 0.00 61.00 61.93 2d1u s PRO 75 Cb -0.06 -1.78 0.03 0.00 0.04 0.00 0.00 34.50 32.73 2d1u s PRO 75 CO 0.20 -2.43 0.36 0.00 0.04 0.00 0.00 177.00 175.17 2d1u n ALA 76 N -4.00 -2.73 -1.18 8.56 0.00 -1.26 -4.97 120.51 114.93 2d1u n ALA 76 Ca 0.06 -0.63 -0.29 0.00 0.00 0.00 0.00 53.44 52.58 2d1u n ALA 76 Cb 0.56 -1.77 0.16 0.00 0.00 0.00 0.00 19.45 18.40 2d1u n ALA 76 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2d1u s PRO 77 N -3.58 0.79 -0.07 0.00 0.04 -1.26 -5.00 135.00 125.92 2d1u s PRO 77 Ca 0.56 0.65 0.10 0.00 0.04 0.00 0.00 61.00 62.36 2d1u s PRO 77 Cb -0.21 -1.77 0.17 0.00 0.04 0.00 0.00 34.50 32.73 2d1u s PRO 77 CO 0.68 -2.52 1.08 0.36 0.04 0.00 0.00 177.00 176.65 2d1u n LYS 78 N -4.05 0.65 -1.29 4.56 -0.00 -1.26 -5.09 118.16 111.69 2d1u n LYS 78 Ca 0.06 -1.86 -0.29 0.00 -0.00 0.00 0.00 58.31 56.22 2d1u n LYS 78 Cb 0.56 -0.98 0.18 0.00 -0.00 0.00 0.00 35.03 34.79 2d1u n LYS 78 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 2d1u s GLU 79 N -1.44 0.35 -0.30 -1.58 2.12 -1.26 -5.08 118.70 111.51 2d1u s GLU 79 Ca 0.18 0.32 -0.16 0.00 0.36 0.00 0.00 54.97 55.66 2d1u s GLU 79 Cb 0.16 -1.75 0.17 0.00 0.26 0.00 0.00 34.13 32.98 2d1u s GLU 79 CO 0.00 -2.74 1.08 0.34 -0.54 0.00 0.00 175.26 173.40 2d1u s ASP 80 N -3.74 -0.39 -1.51 -1.70 2.15 -1.26 -4.95 116.67 105.27 2d1u s ASP 80 Ca 0.66 0.57 0.00 0.00 0.43 0.00 0.00 52.55 54.21 2d1u s ASP 80 Cb -0.16 1.33 0.00 0.00 -0.30 0.00 0.00 42.92 43.79 2d1u s ASP 80 CO 0.56 -0.08 0.00 0.00 -0.17 0.00 0.00 175.17 175.48 2d1u n ALA 81 N 4.24 -0.49 -3.73 3.66 0.00 -1.26 -4.98 120.51 117.94 2d1u n ALA 81 Ca -0.13 0.15 -0.25 0.00 0.00 0.00 0.00 53.44 53.21 2d1u n ALA 81 Cb 0.55 -1.90 -0.17 0.00 0.00 0.00 0.00 19.45 17.93 2d1u n ALA 81 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2d1u s LEU 82 N -4.92 0.79 0.38 0.00 0.20 -1.26 -5.14 118.68 108.73 2d1u s LEU 82 Ca 0.00 -0.47 0.08 0.00 0.69 0.00 0.00 54.13 54.43 2d1u s LEU 82 Cb 0.00 -0.47 -0.04 0.00 -0.43 0.00 0.00 46.19 45.25 2d1u s LEU 82 CO 0.00 -0.27 0.22 0.28 -0.29 0.00 0.00 176.35 176.29 2d1u s THR 83 N 1.95 2.71 0.49 3.68 -1.32 -1.26 -5.06 115.64 116.83 2d1u s THR 83 Ca 0.02 -1.60 0.00 0.00 -1.21 0.00 0.00 61.69 58.90 2d1u s THR 83 Cb -0.15 -3.00 0.00 0.00 -1.51 0.00 0.00 72.50 67.84 2d1u s THR 83 CO -0.07 -0.08 0.01 1.33 -2.21 0.00 0.00 174.62 173.60 2d1u n VAL 84 N -1.28 0.00 0.05 5.08 0.24 -1.26 -5.05 118.33 116.11 2d1u n VAL 84 Ca -0.01 -2.30 0.05 0.00 -2.04 0.00 0.00 64.34 60.05 2d1u n VAL 84 Cb 0.62 0.45 -0.06 0.00 -1.47 0.00 0.00 33.84 33.39 2d1u n VAL 84 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 2d1u n VAL 85 N -1.23 0.86 -3.24 3.34 0.31 -1.26 -5.07 118.33 112.05 2d1u n VAL 85 Ca -0.20 -0.62 0.00 0.00 -0.01 0.00 0.00 64.34 63.51 2d1u n VAL 85 Cb 0.62 -0.51 0.00 0.00 -0.91 0.00 0.00 33.84 33.04 2d1u n VAL 85 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2d1u n GLY 86 N 1.31 -0.36 3.33 2.92 0.00 -1.26 -4.98 105.19 106.14 2d1u n GLY 86 Ca -0.06 -1.26 -0.11 0.00 0.00 0.00 0.00 46.02 44.59 2d1u n GLY 86 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2d1u s ASP 87 N -4.00 -0.27 0.42 1.61 -4.77 -1.26 -5.18 116.67 103.22 2d1u s ASP 87 Ca 0.00 -0.23 0.07 0.00 -3.30 0.00 0.00 52.55 49.09 2d1u s ASP 87 Cb 0.00 0.48 -0.06 0.00 -1.09 0.00 0.00 42.92 42.25 2d1u s ASP 87 CO 0.00 -0.83 0.10 0.86 0.70 0.00 0.00 175.17 176.00 2d1u s TRP 88 N -3.55 2.48 -0.24 2.11 -0.11 -1.26 -5.15 118.94 113.22 2d1u s TRP 88 Ca 0.01 -0.66 -0.27 0.00 1.22 0.00 0.00 56.10 56.40 2d1u s TRP 88 Cb 0.01 -1.86 0.13 0.00 -1.50 0.00 0.00 33.47 30.26 2d1u s TRP 88 CO -0.10 0.28 1.07 -1.17 -4.62 0.00 0.00 176.95 172.41 2d1u s LEU 89 N -3.83 -0.36 0.00 5.86 2.96 -1.26 -4.89 118.68 117.16 2d1u s LEU 89 Ca 0.36 0.58 0.02 0.00 -0.22 0.00 0.00 54.13 54.86 2d1u s LEU 89 Cb 0.06 1.76 0.03 0.00 0.50 0.00 0.00 46.19 48.54 2d1u s LEU 89 CO 0.19 -0.20 0.84 0.61 -1.32 0.00 0.00 176.35 176.47 2d1u n GLY 90 N 1.52 0.70 3.63 7.98 0.00 -1.26 -5.11 105.19 112.66 2d1u n GLY 90 Ca -0.11 -0.05 -0.05 0.00 0.00 0.00 0.00 46.02 45.81 2d1u n GLY 90 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2d1u s ASP 91 N -0.72 -1.00 0.29 1.61 2.15 -1.26 -5.18 116.67 112.56 2d1u s ASP 91 Ca 0.02 1.52 0.04 0.00 0.43 0.00 0.00 52.55 54.56 2d1u s ASP 91 Cb 0.02 1.75 -0.03 0.00 -0.30 0.00 0.00 42.92 44.36 2d1u s ASP 91 CO -0.01 -0.23 0.21 0.00 -0.17 0.00 0.00 175.17 174.97 2d1u s ALA 92 N 2.17 1.72 -0.04 3.66 0.00 -1.26 -4.49 121.76 123.52 2d1u s ALA 92 Ca -0.08 -1.90 -0.01 0.00 0.00 0.00 0.00 51.96 49.97 2d1u s ALA 92 Cb -0.08 1.38 0.03 0.00 0.00 0.00 0.00 23.12 24.46 2d1u s ALA 92 CO -0.19 -0.61 0.07 1.03 0.00 0.00 0.00 175.76 176.06 2d1u s ARG 93 N -3.71 -0.00 -0.67 0.00 0.52 -1.25 -5.02 118.95 108.81 2d1u s ARG 93 Ca 0.39 0.27 -0.25 0.00 -0.52 0.00 0.00 55.73 55.62 2d1u s ARG 93 Cb 0.04 -0.25 0.05 0.00 0.52 0.00 0.00 34.95 35.30 2d1u s ARG 93 CO 0.21 -0.19 1.12 -1.21 0.02 0.00 0.00 175.30 175.25 2d1u s GLU 94 N 1.24 3.21 -0.70 3.54 0.41 -1.26 -4.61 118.70 120.52 2d1u s GLU 94 Ca -0.07 -0.41 0.05 0.00 -0.41 0.00 0.00 54.97 54.13 2d1u s GLU 94 Cb -0.13 -4.17 0.17 0.00 -1.78 0.00 0.00 34.13 28.23 2d1u s GLU 94 CO -0.04 -1.91 0.50 0.09 -0.49 0.00 0.00 175.26 173.42 2d1u n ASN 95 N 8.46 2.97 -4.56 -0.19 4.13 -1.26 -5.08 115.26 119.72 2d1u n ASN 95 Ca 0.01 -3.20 -0.30 0.00 1.68 0.00 0.00 54.58 52.76 2d1u n ASN 95 Cb 0.48 -0.75 -0.10 0.00 -1.54 0.00 0.00 39.78 37.86 2d1u n ASN 95 CO 0.00 0.00 0.00 1.51 0.28 0.00 0.00 177.26 179.05 2d1u s ASP 96 N -1.47 4.36 0.16 6.41 -4.77 -1.26 -4.96 116.67 115.14 2d1u s ASP 96 Ca 0.26 -0.34 -0.04 0.00 -3.30 0.00 0.00 52.55 49.13 2d1u s ASP 96 Cb -0.03 -0.86 -0.03 0.00 -1.09 0.00 0.00 42.92 40.91 2d1u s ASP 96 CO -0.17 0.21 0.16 -1.48 0.70 0.00 0.00 175.17 174.59 2d1u s LEU 97 N -1.94 1.32 -0.08 2.11 2.34 -1.26 -5.08 118.68 116.09 2d1u s LEU 97 Ca 0.20 -1.15 -0.02 0.00 0.06 0.00 0.00 54.13 53.21 2d1u s LEU 97 Cb -0.11 0.64 -0.04 0.00 -0.56 0.00 0.00 46.19 46.12 2d1u s LEU 97 CO 0.11 -0.83 -0.09 -0.62 -1.06 0.00 0.00 176.35 173.87 2d1u n GLU 98 N -0.19 0.17 -3.21 1.48 1.02 -1.26 -5.02 120.64 113.63 2d1u n GLU 98 Ca -0.04 0.06 -0.23 0.00 -0.02 0.00 0.00 57.16 56.93 2d1u n GLU 98 Cb 0.64 -0.94 0.04 0.00 -0.02 0.00 0.00 31.44 31.15 2d1u n GLU 98 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2d1u n HIS 99 N -3.07 -2.10 -1.99 -0.32 -0.00 -1.26 -4.88 115.22 101.60 2d1u n HIS 99 Ca -0.14 0.61 -0.37 0.00 0.46 0.00 0.00 57.72 58.28 2d1u n HIS 99 Cb 0.62 -4.31 -0.01 0.00 -0.12 0.00 0.00 29.99 26.18 2d1u n HIS 99 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2d1u n HIS 100 N -4.51 2.42 -0.58 1.57 -0.00 -1.26 -5.00 115.22 107.85 2d1u n HIS 100 Ca -0.07 -2.43 -0.30 0.00 -0.00 0.00 0.00 57.72 54.92 2d1u n HIS 100 Cb 0.59 -1.46 0.21 0.00 -0.00 0.00 0.00 29.99 29.34 2d1u n HIS 100 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2d1u n HIS 101 N 0.70 -0.61 -2.81 1.57 8.25 -1.26 -4.97 115.22 116.10 2d1u n HIS 101 Ca 0.54 0.09 -0.36 0.00 -0.26 0.00 0.00 57.72 57.73 2d1u n HIS 101 Cb 0.33 -1.79 -0.07 0.00 1.12 0.00 0.00 29.99 29.59 2d1u n HIS 101 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2d1u s HIS 102 N -2.46 3.57 0.86 4.41 3.76 -1.26 -5.05 115.29 119.11 2d1u s HIS 102 Ca 0.66 1.71 -0.12 0.00 -0.15 0.00 0.00 55.06 57.16 2d1u s HIS 102 Cb -0.23 -2.89 0.11 0.00 1.11 0.00 0.00 32.58 30.68 2d1u s HIS 102 CO 0.63 0.11 1.10 -3.38 -0.85 0.00 0.00 174.74 172.35 2d1u s HIS 103 N -1.80 2.53 -2.07 1.40 -3.43 -1.26 -5.31 115.29 105.35 2d1u s HIS 103 Ca 0.54 1.18 0.31 0.00 -0.80 0.00 0.00 55.06 56.29 2d1u s HIS 103 Cb -0.15 -3.16 1.80 0.00 -1.43 0.00 0.00 32.58 29.63 2d1u s HIS 103 CO 0.20 -2.16 2.17 1.58 -2.00 0.00 0.00 174.74 174.53