#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d1u n GLN 2 N 0.00 2.49 -3.73 0.00 7.27 -1.26 -2.90 117.38 119.25 2d1u n GLN 2 Ca 0.00 0.91 -0.24 0.00 0.07 0.00 0.00 57.00 57.74 2d1u n GLN 2 Cb 0.00 -2.76 -0.17 0.00 2.41 0.00 0.00 30.24 29.72 2d1u n GLN 2 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 2d1u s VAL 3 N 2.62 0.27 -0.22 1.69 1.01 0.84 -4.89 120.40 121.72 2d1u s VAL 3 Ca 0.84 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.85 2d1u s VAL 3 Cb -0.58 -0.56 0.03 0.00 0.00 0.00 0.00 36.38 35.27 2d1u s VAL 3 CO 0.41 0.11 -0.13 0.54 0.00 0.00 0.00 175.10 176.02 2d1u s ASN 4 N 2.01 3.79 -0.04 3.32 2.20 -1.26 -2.77 114.94 122.19 2d1u s ASN 4 Ca 0.04 -0.83 0.06 0.00 -0.94 0.00 0.00 52.86 51.19 2d1u s ASN 4 Cb -0.13 -1.56 -0.01 0.00 -2.00 0.00 0.00 41.25 37.54 2d1u s ASN 4 CO -0.06 -0.07 -0.22 -0.63 -2.94 0.00 0.00 177.10 173.18 2d1u s ILE 5 N 1.28 1.81 -0.06 0.54 1.01 -0.49 -4.91 121.20 120.38 2d1u s ILE 5 Ca 0.01 -0.95 -0.22 0.00 0.00 0.00 0.00 60.65 59.49 2d1u s ILE 5 Cb -0.15 -1.52 -0.04 0.00 0.01 0.00 0.00 42.46 40.75 2d1u s ILE 5 CO -0.08 0.51 0.65 0.00 0.00 0.00 0.00 174.94 176.02 2d1u s ALA 6 N -0.29 3.38 1.00 9.38 0.00 -1.26 -2.61 121.76 131.36 2d1u s ALA 6 Ca 0.02 0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.05 2d1u s ALA 6 Cb -0.11 -2.88 0.00 0.00 0.00 0.00 0.00 23.12 20.13 2d1u s ALA 6 CO 0.01 -0.04 0.00 -0.35 0.00 0.00 0.00 175.76 175.38 2d1u n PRO 7 N 3.56 0.16 0.00 0.00 -0.04 -1.26 -4.70 135.00 132.72 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 2.43 1.07 0.00 0.55 0.00 -1.26 -4.98 105.19 103.00 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 0.21 1.61 7.64 -1.26 -4.96 113.62 116.87 2d1u n SER 9 Ca 0.00 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.72 2d1u n SER 9 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 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 -1.25 -1.37 -3.43 6.46 -1.36 0.15 115.31 114.52 2d1u h LEU 10 Ca 0.00 0.12 0.09 0.00 -0.12 0.00 0.00 57.88 57.97 2d1u h LEU 10 Cb 0.00 0.43 -0.05 0.00 -0.73 0.00 0.00 40.66 40.31 2d1u h LEU 10 CO 0.00 -0.57 0.51 -2.24 -0.62 0.00 0.00 178.44 175.52 2d1u h ASP 11 N -0.82 0.64 0.57 1.25 2.03 -1.79 -1.62 116.42 116.68 2d1u h ASP 11 Ca -0.02 0.02 -0.03 0.00 -0.73 0.00 0.00 57.03 56.26 2d1u h ASP 11 Cb 0.76 -0.12 0.01 0.00 -0.83 0.00 0.00 39.33 39.15 2d1u h ASP 11 CO -0.13 0.39 -0.27 0.50 -1.03 0.00 0.00 179.24 178.69 2d1u h LYS 12 N 0.71 -0.74 -0.55 4.15 1.63 -1.74 -1.30 116.57 118.73 2d1u h LYS 12 Ca 0.36 0.05 0.10 0.00 -0.85 0.00 0.00 60.65 60.31 2d1u h LYS 12 Cb 0.44 0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 32.20 2d1u h LYS 12 CO -0.13 -0.45 0.37 0.00 -3.45 0.00 0.00 179.45 175.79 2d1u h ALA 13 N -0.50 2.09 0.26 5.00 0.00 -0.59 -0.06 119.26 125.46 2d1u h ALA 13 Ca -0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2d1u h ALA 13 Cb 0.63 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2d1u h ALA 13 CO 0.13 -0.22 -0.13 1.25 0.00 0.00 0.00 179.25 180.29 2d1u h LEU 14 N 0.32 -0.30 -1.61 0.00 5.85 -1.03 -2.77 115.31 115.78 2d1u h LEU 14 Ca 0.26 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 2d1u h LEU 14 Cb 0.58 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 2d1u h LEU 14 CO -0.06 0.07 0.03 0.78 -0.34 0.00 0.00 178.44 178.92 2d1u h ASN 15 N -0.71 0.25 0.57 1.25 2.35 -0.75 0.26 115.58 118.80 2d1u h ASN 15 Ca -0.04 -0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.66 2d1u h ASN 15 Cb 0.48 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.79 2d1u h ASN 15 CO 0.06 0.28 -0.32 1.56 -1.65 0.00 0.00 177.43 177.36 2d1u h GLN 16 N 0.28 -0.80 -0.04 0.81 1.08 -0.95 -1.16 115.11 114.33 2d1u h GLN 16 Ca 0.07 0.05 -0.18 0.00 -1.45 0.00 0.00 58.65 57.14 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 -0.77 0.10 -0.95 0.00 0.00 178.83 176.68 2d1u h TYR 17 N -0.83 0.41 -0.66 2.96 -0.00 -1.32 -2.75 116.97 114.78 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 0.66 -0.06 -0.06 0.00 0.00 0.00 0.00 36.73 37.28 2d1u h TYR 17 CO -0.07 0.95 0.37 0.00 -0.00 0.00 0.00 178.16 179.40 2d1u h ALA 18 N 0.99 0.89 0.00 0.10 0.00 -0.39 -0.21 119.26 120.64 2d1u h ALA 18 Ca -0.03 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2d1u h ALA 18 Cb 1.35 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2d1u h ALA 18 CO 0.12 0.04 -0.35 0.00 0.00 0.00 0.00 179.25 179.06 2d1u h ALA 19 N 1.35 0.83 0.00 0.00 0.00 -1.22 -2.58 119.26 117.63 2d1u h ALA 19 Ca 0.30 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 2d1u h ALA 19 Cb 0.19 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2d1u h ALA 19 CO -0.19 0.44 -0.50 0.45 0.00 0.00 0.00 179.25 179.46 2d1u h HIS 20 N 0.00 0.00 0.00 0.00 -0.00 -0.94 -3.36 115.15 110.85 2d1u h HIS 20 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2d1u h HIS 20 Cb 1.13 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.54 2d1u h HIS 20 CO 0.00 0.50 -0.18 0.77 -0.00 0.00 0.00 177.93 179.02 2d1u h SER 21 N 0.00 0.00 0.00 2.45 0.02 -1.03 -3.50 113.55 111.49 2d1u h SER 21 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2d1u h SER 21 Cb 1.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.67 2d1u h SER 21 CO 0.06 0.36 0.00 0.61 -1.14 0.00 0.00 176.83 176.72 2d1u n GLY 22 N 1.74 1.87 3.58 -3.77 0.00 -0.98 -5.03 105.19 102.60 2d1u n GLY 22 Ca -0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.87 2.40 0.06 1.61 -0.71 -1.25 -5.10 117.98 113.12 2d1u s PHE 23 Ca 0.00 -0.73 0.02 0.00 -1.04 0.00 0.00 56.93 55.18 2d1u s PHE 23 Cb 0.00 -1.67 -0.04 0.00 -1.21 0.00 0.00 43.02 40.10 2d1u s PHE 23 CO 0.00 0.36 0.08 0.99 -1.34 0.00 0.00 175.22 175.31 2d1u s THR 24 N -2.84 4.60 -0.01 -4.49 2.01 -1.13 -4.82 115.64 108.97 2d1u s THR 24 Ca 0.35 -0.67 0.00 0.00 0.31 0.00 0.00 61.69 61.69 2d1u s THR 24 Cb 0.10 -3.19 0.01 0.00 0.01 0.00 0.00 72.50 69.43 2d1u s THR 24 CO 0.17 0.18 -0.01 -0.22 -0.69 0.00 0.00 174.62 174.06 2d1u s LEU 25 N -2.22 1.80 -0.32 4.42 2.96 -1.26 -1.73 118.68 122.33 2d1u s LEU 25 Ca 0.28 -0.02 0.03 0.00 -0.22 0.00 0.00 54.13 54.20 2d1u s LEU 25 Cb -0.12 -0.10 0.09 0.00 0.50 0.00 0.00 46.19 46.55 2d1u s LEU 25 CO 0.20 -0.01 0.01 -0.44 -1.32 0.00 0.00 176.35 174.79 2d1u s SER 26 N 0.21 4.69 -0.01 3.68 0.01 0.95 -4.91 113.70 118.32 2d1u s SER 26 Ca -0.02 -1.92 0.03 0.00 1.31 0.00 0.00 55.95 55.35 2d1u s SER 26 Cb -0.04 -1.61 -0.01 0.00 0.21 0.00 0.00 66.02 64.58 2d1u s SER 26 CO -0.01 -0.33 -0.10 0.54 0.41 0.00 0.00 173.24 173.76 2d1u s VAL 27 N 0.97 0.81 -0.46 3.43 0.11 -1.26 -4.15 120.40 119.85 2d1u s VAL 27 Ca 0.05 -0.42 -0.33 0.00 -2.93 0.00 0.00 61.98 58.34 2d1u s VAL 27 Cb -0.19 -0.69 -0.12 0.00 -1.53 0.00 0.00 36.38 33.85 2d1u s VAL 27 CO -0.07 0.24 2.29 0.47 -3.33 0.00 0.00 175.10 174.70 2d1u n ASP 28 N 2.95 1.89 0.21 3.54 8.00 -1.26 -4.77 116.55 127.10 2d1u n ASP 28 Ca -0.15 0.24 0.15 0.00 0.71 0.00 0.00 54.79 55.74 2d1u n ASP 28 Cb 0.56 -1.26 0.60 0.00 -0.02 0.00 0.00 41.12 40.99 2d1u n ASP 28 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2d1u h ALA 29 N 13.44 1.00 -0.52 2.24 0.00 -1.98 -3.11 119.26 130.33 2d1u h ALA 29 Ca -0.23 0.00 0.10 0.00 0.00 0.00 0.00 54.91 54.77 2d1u h ALA 29 Cb 1.31 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 19.02 2d1u h ALA 29 CO 1.09 0.00 0.04 0.77 0.00 0.00 0.00 179.25 181.15 2d1u h SER 30 N 0.00 -0.14 0.36 0.00 0.02 -1.94 0.17 113.55 112.03 2d1u h SER 30 Ca 0.00 0.11 -0.32 0.00 -0.84 0.00 0.00 61.79 60.74 2d1u h SER 30 Cb 0.44 0.19 0.01 0.00 0.14 0.00 0.00 62.40 63.17 2d1u h SER 30 CO 0.00 -0.04 -1.57 -0.07 -1.14 0.00 0.00 176.83 174.01 2d1u h LEU 31 N 0.16 0.53 -0.47 5.07 4.07 -1.95 -3.35 115.31 119.37 2d1u h LEU 31 Ca 0.26 -0.71 0.06 0.00 0.08 0.00 0.00 57.88 57.58 2d1u h LEU 31 Cb 0.39 -0.17 -0.06 0.00 1.08 0.00 0.00 40.66 41.90 2d1u h LEU 31 CO -0.40 1.58 0.16 0.74 -1.08 0.00 0.00 178.44 179.44 2d1u h THR 32 N 0.09 0.83 -2.53 0.22 2.02 -1.40 -3.35 112.91 108.79 2d1u h THR 32 Ca -0.27 -0.11 -0.58 0.00 0.77 0.00 0.00 66.41 66.21 2d1u h THR 32 Cb 2.06 0.47 0.07 0.00 -1.74 0.00 0.00 68.15 69.02 2d1u h THR 32 CO 0.19 0.06 0.67 -2.11 0.37 0.00 0.00 175.52 174.70 2d1u n ARG 33 N -5.02 2.05 0.00 6.66 -4.01 0.57 -2.42 116.66 114.50 2d1u n ARG 33 Ca 0.04 0.73 0.00 0.00 -1.04 0.00 0.00 57.85 57.59 2d1u n ARG 33 Cb 0.19 -2.43 0.00 0.00 -3.04 0.00 0.00 32.46 27.18 2d1u n ARG 33 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2d1u n GLY 34 N 2.56 1.92 3.51 2.89 0.00 -1.26 -4.98 105.19 109.83 2d1u n GLY 34 Ca 0.13 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 2d1u n GLY 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2d1u n LYS 35 N 0.00 -0.16 -4.60 1.61 5.02 -1.01 -4.79 118.16 114.22 2d1u n LYS 35 Ca 0.00 0.01 -0.32 0.00 -2.02 0.00 0.00 58.31 55.98 2d1u n LYS 35 Cb 0.00 -2.04 -0.07 0.00 -0.02 0.00 0.00 35.03 32.91 2d1u n LYS 35 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2d1u s GLN 36 N -3.76 2.20 -0.03 1.97 -0.21 -1.26 -1.20 119.66 117.37 2d1u s GLN 36 Ca 0.62 -2.32 -0.29 0.00 0.02 0.00 0.00 55.36 53.40 2d1u s GLN 36 Cb -0.25 -1.64 0.09 0.00 1.00 0.00 0.00 33.01 32.21 2d1u s GLN 36 CO 0.62 -0.39 0.79 0.45 -2.12 0.00 0.00 175.29 174.63 2d1u s SER 37 N -3.94 -0.51 -0.08 5.90 0.15 -1.26 -4.40 113.70 109.55 2d1u s SER 37 Ca 0.12 0.36 -0.30 0.00 0.70 0.00 0.00 55.95 56.83 2d1u s SER 37 Cb 0.01 0.46 -0.03 0.00 -1.71 0.00 0.00 66.02 64.75 2d1u s SER 37 CO 0.07 -0.61 1.22 0.20 1.20 0.00 0.00 173.24 175.31 2d1u s ASN 38 N -1.73 7.02 0.78 5.45 -0.87 -1.22 -4.06 114.94 120.32 2d1u s ASN 38 Ca -0.03 1.78 0.00 0.00 -1.57 0.00 0.00 52.86 53.04 2d1u s ASN 38 Cb -0.01 -2.55 0.00 0.00 -0.02 0.00 0.00 41.25 38.67 2d1u s ASN 38 CO -0.00 -0.63 0.00 0.61 -2.57 0.00 0.00 177.10 174.51 2d1u n GLY 39 N 3.43 -3.42 3.69 0.66 0.00 -1.26 -4.36 105.19 103.92 2d1u n GLY 39 Ca 0.12 -1.26 -0.23 0.00 0.00 0.00 0.00 46.02 44.65 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 3.35 -0.29 0.99 2.96 -1.07 -4.60 118.68 120.01 2d1u s LEU 40 Ca 0.00 -0.53 0.04 0.00 -0.22 0.00 0.00 54.13 53.42 2d1u s LEU 40 Cb 0.00 -1.88 0.20 0.00 0.50 0.00 0.00 46.19 45.01 2d1u s LEU 40 CO 0.00 0.00 0.62 -2.28 -1.32 0.00 0.00 176.35 173.37 2d1u s HIS 41 N -2.22 -1.76 -1.58 5.38 2.46 -1.13 -1.39 115.29 115.05 2d1u s HIS 41 Ca 0.31 1.11 0.00 0.00 0.47 0.00 0.00 55.06 56.95 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 0.21 -1.02 0.00 0.41 -2.47 0.00 0.00 174.74 171.87 2d1u n GLY 42 N 5.40 0.78 3.61 1.59 0.00 -1.12 -4.97 105.19 110.48 2d1u n GLY 42 Ca 0.05 -2.20 -0.42 0.00 0.00 0.00 0.00 46.02 43.44 2d1u n GLY 42 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2d1u s ASP 43 N -1.30 6.66 -0.13 1.61 1.11 -1.26 -0.11 116.67 123.25 2d1u s ASP 43 Ca 0.00 0.63 -0.07 0.00 0.18 0.00 0.00 52.55 53.29 2d1u s ASP 43 Cb 0.00 -2.41 0.05 0.00 1.07 0.00 0.00 42.92 41.63 2d1u s ASP 43 CO 0.00 -0.66 0.32 -0.31 1.18 0.00 0.00 175.17 175.70 2d1u s TYR 44 N 3.04 -0.45 1.37 4.23 2.02 -1.14 -4.91 117.35 121.51 2d1u s TYR 44 Ca 0.33 1.01 -0.23 0.00 -0.37 0.00 0.00 57.07 57.81 2d1u s TYR 44 Cb -0.14 0.14 0.35 0.00 -0.40 0.00 0.00 41.96 41.92 2d1u s TYR 44 CO 0.14 -0.28 0.79 -0.25 -1.57 0.00 0.00 175.55 174.38 2d1u n ASP 45 N 4.26 -4.03 -0.08 2.29 8.00 -1.26 -4.15 116.55 121.58 2d1u n ASP 45 Ca -0.24 -0.80 -0.07 0.00 0.71 0.00 0.00 54.79 54.38 2d1u n ASP 45 Cb 0.54 -0.93 0.00 0.00 -0.02 0.00 0.00 41.12 40.71 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 -3.52 0.86 0.02 2.53 3.04 -1.96 0.32 116.25 117.54 2d1u h VAL 46 Ca -0.36 -0.06 -0.00 0.00 -1.01 0.00 0.00 66.70 65.27 2d1u h VAL 46 Cb 1.22 0.68 0.00 0.00 -2.01 0.00 0.00 31.29 31.18 2d1u h VAL 46 CO 0.22 0.03 -0.01 -0.08 -1.01 0.00 0.00 177.57 176.72 2d1u h GLU 47 N 0.17 -0.03 -0.30 4.17 4.22 -1.99 -1.95 114.58 118.87 2d1u h GLU 47 Ca 0.14 0.00 0.06 0.00 0.08 0.00 0.00 59.36 59.65 2d1u h GLU 47 Cb 0.15 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.34 2d1u h GLU 47 CO -0.18 0.64 -0.13 0.77 -2.18 0.00 0.00 179.01 177.93 2d1u h SER 48 N -0.75 -0.44 -0.23 1.04 0.02 -1.86 -1.59 113.55 109.75 2d1u h SER 48 Ca -0.00 0.11 -0.09 0.00 -0.84 0.00 0.00 61.79 60.97 2d1u h SER 48 Cb 0.68 0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.46 2d1u h SER 48 CO 0.01 -0.16 -0.15 1.23 -1.14 0.00 0.00 176.83 176.62 2d1u h GLY 49 N -0.08 0.69 0.60 -3.77 0.00 -0.46 -2.36 103.07 97.70 2d1u h GLY 49 Ca 0.15 -0.52 0.02 0.00 0.00 0.00 0.00 47.33 46.98 2d1u h GLY 49 CO -0.35 0.48 -0.23 -2.00 0.00 0.00 0.00 176.54 174.44 2d1u h LEU 50 N 0.58 -0.64 -1.63 3.11 5.85 -0.49 -0.58 115.31 121.50 2d1u h LEU 50 Ca 0.10 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 2d1u h LEU 50 Cb 0.58 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 2d1u h LEU 50 CO 0.04 -0.32 -0.19 1.56 -0.34 0.00 0.00 178.44 179.20 2d1u h GLN 51 N -0.42 0.00 0.00 1.25 1.08 -1.33 -2.24 115.11 113.45 2d1u h GLN 51 Ca 0.03 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.13 2d1u h GLN 51 Cb 0.45 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.86 2d1u h GLN 51 CO -0.13 0.19 -0.49 1.96 -0.95 0.00 0.00 178.83 179.41 2d1u h GLN 52 N 0.00 0.00 0.10 1.46 1.08 -0.73 0.97 115.11 117.99 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 0.47 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.90 2d1u h GLN 52 CO 0.02 0.49 -0.05 -0.07 -0.95 0.00 0.00 178.83 178.27 2d1u h LEU 53 N 0.00 -0.11 -0.06 1.46 -0.00 -0.52 -3.25 115.31 112.83 2d1u h LEU 53 Ca -0.00 -0.46 0.00 0.00 -0.00 0.00 0.00 57.88 57.41 2d1u h LEU 53 Cb 0.98 0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.67 2d1u h LEU 53 CO 0.06 0.52 -0.01 0.00 -0.00 0.00 0.00 178.44 179.01 2d1u n LEU 54 N -4.84 0.11 -4.54 1.67 -0.00 -1.13 -3.38 117.00 104.89 2d1u n LEU 54 Ca -0.08 0.10 -0.50 0.00 -0.00 0.00 0.00 56.01 55.53 2d1u n LEU 54 Cb 0.28 -0.14 -0.04 0.00 -0.00 0.00 0.00 43.42 43.52 2d1u n LEU 54 CO 0.25 0.02 0.60 -0.90 -0.00 0.00 0.00 177.39 177.37 2d1u n ASP 55 N -1.07 0.82 0.00 1.45 5.75 0.33 -3.48 116.55 120.36 2d1u n ASP 55 Ca 0.19 1.14 0.00 0.00 -0.01 0.00 0.00 54.79 56.11 2d1u n ASP 55 Cb 0.19 -1.14 0.00 0.00 -1.03 0.00 0.00 41.12 39.14 2d1u n ASP 55 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2d1u n GLY 56 N 1.92 1.32 0.02 6.12 0.00 -1.26 -4.72 105.19 108.59 2d1u n GLY 56 Ca 0.16 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.16 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 4.21 -2.19 1.61 3.41 -1.23 -4.91 113.62 114.53 2d1u n SER 57 Ca 0.00 -0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.58 2d1u n SER 57 Cb 0.00 0.57 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 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 2.81 -0.96 3.75 5.00 0.00 -1.26 -5.09 105.19 109.44 2d1u n GLY 58 Ca -0.05 0.50 -0.32 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.01 2.44 -0.14 0.99 1.02 -1.26 -4.74 118.68 114.99 2d1u s LEU 59 Ca 0.10 -1.57 0.02 0.00 0.02 0.00 0.00 54.13 52.70 2d1u s LEU 59 Cb -0.03 -0.81 0.01 0.00 0.02 0.00 0.00 46.19 45.39 2d1u s LEU 59 CO 0.38 -0.79 -0.19 0.00 0.02 0.00 0.00 176.35 175.77 2d1u s GLN 60 N -3.87 2.74 -0.03 1.70 1.03 -1.08 -4.95 119.66 115.19 2d1u s GLN 60 Ca 0.13 -0.75 -0.02 0.00 0.04 0.00 0.00 55.36 54.76 2d1u s GLN 60 Cb 0.03 -2.28 -0.04 0.00 0.03 0.00 0.00 33.01 30.75 2d1u s GLN 60 CO 0.07 -0.07 0.12 0.08 -2.54 0.00 0.00 175.29 172.95 2d1u s VAL 61 N 0.98 5.09 -0.11 3.63 1.01 -1.26 -2.46 120.40 127.27 2d1u s VAL 61 Ca -0.04 -0.20 -0.09 0.00 0.00 0.00 0.00 61.98 61.65 2d1u s VAL 61 Cb -0.15 -3.31 0.03 0.00 0.00 0.00 0.00 36.38 32.95 2d1u s VAL 61 CO -0.04 0.41 0.29 -1.59 0.00 0.00 0.00 175.10 174.17 2d1u s LYS 62 N -1.62 0.32 0.81 2.72 0.00 -1.03 -4.99 119.74 115.95 2d1u s LYS 62 Ca 0.22 0.45 -0.11 0.00 0.00 0.00 0.00 55.97 56.54 2d1u s LYS 62 Cb -0.12 0.10 0.08 0.00 0.00 0.00 0.00 37.83 37.89 2d1u s LYS 62 CO 0.13 -0.07 1.09 -1.25 0.00 0.00 0.00 175.35 175.25 2d1u s PRO 63 N 0.43 1.98 0.02 1.78 0.04 -1.26 -2.15 135.00 135.85 2d1u s PRO 63 Ca -0.02 1.08 -0.04 0.00 0.04 0.00 0.00 61.00 62.06 2d1u s PRO 63 Cb -0.04 -1.87 -0.01 0.00 0.04 0.00 0.00 34.50 32.61 2d1u s PRO 63 CO -0.02 -1.81 -0.07 1.28 0.04 0.00 0.00 177.00 176.41 2d1u n LEU 64 N -3.63 1.14 0.00 -3.56 4.77 0.15 -4.89 117.00 110.98 2d1u n LEU 64 Ca 0.09 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 2d1u n LEU 64 Cb 0.54 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 2d1u n LEU 64 CO 0.54 -0.52 0.00 0.61 -1.33 0.00 0.00 177.39 176.69 2d1u n GLY 65 N 2.99 2.00 0.00 -0.72 0.00 -1.25 -5.02 105.19 103.19 2d1u n GLY 65 Ca -0.04 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2d1u n GLY 65 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2d1u n ASN 66 N 0.00 0.00 -0.87 1.61 5.15 -1.26 -4.59 115.26 115.30 2d1u n ASN 66 Ca 0.00 0.30 0.05 0.00 -0.60 0.00 0.00 54.58 54.34 2d1u n ASN 66 Cb 0.00 0.00 0.14 0.00 -0.53 0.00 0.00 39.78 39.39 2d1u n ASN 66 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2d1u n ASN 67 N -0.32 1.45 -4.59 1.20 4.05 -1.26 -5.03 115.26 110.76 2d1u n ASN 67 Ca 0.00 -3.17 -0.40 0.00 0.45 0.00 0.00 54.58 51.46 2d1u n ASN 67 Cb 0.00 -0.44 -0.08 0.00 1.23 0.00 0.00 39.78 40.49 2d1u n ASN 67 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 2d1u s SER 68 N -2.74 6.30 0.15 1.20 1.04 -1.26 -2.86 113.70 115.53 2d1u s SER 68 Ca 0.35 0.18 0.07 0.00 0.48 0.00 0.00 55.95 57.04 2d1u s SER 68 Cb 0.36 -2.24 -0.04 0.00 0.10 0.00 0.00 66.02 64.20 2d1u s SER 68 CO -0.10 -0.30 -0.04 0.26 0.98 0.00 0.00 173.24 174.04 2d1u s TRP 69 N 2.20 2.80 0.06 5.02 0.52 -0.71 0.32 118.94 129.16 2d1u s TRP 69 Ca 0.17 -0.14 0.03 0.00 0.02 0.00 0.00 56.10 56.17 2d1u s TRP 69 Cb -0.16 -1.39 -0.03 0.00 -1.15 0.00 0.00 33.47 30.74 2d1u s TRP 69 CO 0.11 0.49 -0.08 -0.08 0.02 0.00 0.00 176.95 177.41 2d1u s THR 70 N -1.56 0.66 -0.25 2.01 -1.32 -0.91 -0.03 115.64 114.24 2d1u s THR 70 Ca 0.25 -1.33 -0.10 0.00 -1.21 0.00 0.00 61.69 59.31 2d1u s THR 70 Cb -0.10 -0.94 -0.05 0.00 -1.51 0.00 0.00 72.50 69.91 2d1u s THR 70 CO 0.17 -0.48 0.15 -0.76 -2.21 0.00 0.00 174.62 171.49 2d1u s LEU 71 N -1.97 3.98 -0.02 9.08 2.01 -1.26 -2.47 118.68 128.03 2d1u s LEU 71 Ca -0.03 0.03 0.03 0.00 0.01 0.00 0.00 54.13 54.17 2d1u s LEU 71 Cb -0.06 -2.08 -0.00 0.00 0.01 0.00 0.00 46.19 44.06 2d1u s LEU 71 CO -0.01 0.02 -0.10 -0.70 1.01 0.00 0.00 176.35 176.57 2d1u s GLU 72 N 1.30 1.00 -0.04 1.70 2.12 -1.03 -4.88 118.70 118.87 2d1u s GLU 72 Ca 0.07 -0.36 -0.30 0.00 0.36 0.00 0.00 54.97 54.74 2d1u s GLU 72 Cb -0.14 -0.94 -0.05 0.00 0.26 0.00 0.00 34.13 33.26 2d1u s GLU 72 CO 0.06 0.17 1.48 -1.25 -0.54 0.00 0.00 175.26 175.19 2d1u s PRO 73 N 0.00 4.23 0.45 4.30 0.04 -1.26 -2.64 135.00 140.12 2d1u s PRO 73 Ca -0.00 2.02 -0.22 0.00 0.04 0.00 0.00 61.00 62.84 2d1u s PRO 73 Cb -0.07 -3.76 -0.09 0.00 0.04 0.00 0.00 34.50 30.62 2d1u s PRO 73 CO 0.00 -0.71 1.02 0.00 0.04 0.00 0.00 177.00 177.36 2d1u s ALA 74 N 3.20 2.97 0.91 8.56 0.00 -1.26 -4.95 121.76 131.18 2d1u s ALA 74 Ca 0.66 0.59 -0.12 0.00 0.00 0.00 0.00 51.96 53.10 2d1u s ALA 74 Cb -0.31 -3.24 0.14 0.00 0.00 0.00 0.00 23.12 19.71 2d1u s ALA 74 CO 0.26 -0.19 1.09 -1.25 0.00 0.00 0.00 175.76 175.67 2d1u s PRO 75 N -3.00 1.16 0.96 0.00 0.04 -1.26 -4.99 135.00 127.91 2d1u s PRO 75 Ca 0.63 0.79 -0.13 0.00 0.04 0.00 0.00 61.00 62.33 2d1u s PRO 75 Cb -0.16 -1.80 0.03 0.00 0.04 0.00 0.00 34.50 32.60 2d1u s PRO 75 CO 0.21 -2.30 0.32 0.00 0.04 0.00 0.00 177.00 175.26 2d1u n ALA 76 N -3.92 -2.83 -1.19 8.56 0.00 -1.26 -4.96 120.51 114.91 2d1u n ALA 76 Ca 0.07 -0.64 -0.29 0.00 0.00 0.00 0.00 53.44 52.58 2d1u n ALA 76 Cb 0.55 -1.75 0.16 0.00 0.00 0.00 0.00 19.45 18.41 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 -3.53 0.80 -0.12 0.00 0.04 -1.26 -4.97 135.00 125.96 2d1u s PRO 77 Ca 0.56 0.65 0.16 0.00 0.04 0.00 0.00 61.00 62.41 2d1u s PRO 77 Cb -0.21 -1.77 0.62 0.00 0.04 0.00 0.00 34.50 33.19 2d1u s PRO 77 CO 0.68 -2.51 1.54 1.63 0.04 0.00 0.00 177.00 178.38 2d1u n LYS 78 N -4.04 3.53 -3.62 4.56 5.02 -1.26 -4.99 118.16 117.35 2d1u n LYS 78 Ca 0.06 -2.77 -0.02 0.00 -2.02 0.00 0.00 58.31 53.56 2d1u n LYS 78 Cb 0.56 -1.81 -0.01 0.00 -0.02 0.00 0.00 35.03 33.75 2d1u n LYS 78 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2d1u s GLU 79 N -1.97 0.54 -0.15 1.97 2.56 -1.26 -5.13 118.70 115.26 2d1u s GLU 79 Ca 0.45 -0.27 -0.29 0.00 0.00 0.00 0.00 54.97 54.86 2d1u s GLU 79 Cb 0.30 0.20 -0.01 0.00 2.00 0.00 0.00 34.13 36.63 2d1u s GLU 79 CO 0.20 -0.24 1.12 -0.51 -0.56 0.00 0.00 175.26 175.26 2d1u s ASP 80 N -2.71 7.09 0.37 -1.70 1.01 -1.26 -5.01 116.67 114.46 2d1u s ASP 80 Ca 0.12 1.57 0.06 0.00 0.71 0.00 0.00 52.55 55.01 2d1u s ASP 80 Cb 0.02 -2.55 -0.02 0.00 1.01 0.00 0.00 42.92 41.38 2d1u s ASP 80 CO -0.04 -0.62 0.23 0.00 0.21 0.00 0.00 175.17 174.95 2d1u s ALA 81 N 2.80 2.38 -0.47 5.23 0.00 -1.26 -5.12 121.76 125.32 2d1u s ALA 81 Ca 0.50 -1.68 -0.17 0.00 0.00 0.00 0.00 51.96 50.61 2d1u s ALA 81 Cb -0.19 1.18 0.06 0.00 0.00 0.00 0.00 23.12 24.16 2d1u s ALA 81 CO 0.14 -0.53 0.44 -0.51 0.00 0.00 0.00 175.76 175.30 2d1u s LEU 82 N -3.49 5.31 0.18 0.00 2.01 -1.26 -5.05 118.68 116.38 2d1u s LEU 82 Ca 0.33 -1.10 0.07 0.00 0.01 0.00 0.00 54.13 53.44 2d1u s LEU 82 Cb 0.02 -2.27 -0.05 0.00 0.01 0.00 0.00 46.19 43.90 2d1u s LEU 82 CO 0.23 -0.67 -0.13 0.28 1.01 0.00 0.00 176.35 177.06 2d1u s THR 83 N 1.94 1.54 0.35 5.49 -1.32 -1.26 -5.16 115.64 117.21 2d1u s THR 83 Ca 0.08 -2.13 0.08 0.00 -1.21 0.00 0.00 61.69 58.51 2d1u s THR 83 Cb -0.22 -1.95 -0.04 0.00 -1.51 0.00 0.00 72.50 68.79 2d1u s THR 83 CO 0.09 -0.63 0.18 0.68 -2.21 0.00 0.00 174.62 172.73 2d1u s VAL 84 N -3.02 3.06 -0.06 5.08 -7.23 -1.26 -5.05 120.40 111.92 2d1u s VAL 84 Ca 0.20 -1.63 0.15 0.00 -1.81 0.00 0.00 61.98 58.88 2d1u s VAL 84 Cb -0.00 -3.01 -0.22 0.00 0.56 0.00 0.00 36.38 33.71 2d1u s VAL 84 CO 0.05 -0.17 0.25 0.52 -0.31 0.00 0.00 175.10 175.43 2d1u n VAL 85 N -1.20 0.32 0.00 1.32 0.31 -1.26 -5.12 118.33 112.70 2d1u n VAL 85 Ca -0.03 -0.44 0.00 0.00 -0.01 0.00 0.00 64.34 63.87 2d1u n VAL 85 Cb 0.61 -0.10 0.00 0.00 -0.91 0.00 0.00 33.84 33.44 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 1.78 0.90 2.12 2.92 0.00 -1.26 -5.10 105.19 106.55 2d1u n GLY 86 Ca -0.09 -1.88 -0.15 0.00 0.00 0.00 0.00 46.02 43.89 2d1u n GLY 86 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2d1u n ASP 87 N -0.44 0.65 -3.68 1.61 8.00 -1.26 -5.18 116.55 116.25 2d1u n ASP 87 Ca 0.00 -2.39 -0.07 0.00 0.71 0.00 0.00 54.79 53.04 2d1u n ASP 87 Cb 0.00 0.78 -0.02 0.00 -0.02 0.00 0.00 41.12 41.87 2d1u n ASP 87 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 2d1u s TRP 88 N -2.63 -0.27 -0.28 1.24 -0.11 -1.26 -5.18 118.94 110.45 2d1u s TRP 88 Ca 0.17 -0.04 -0.21 0.00 1.22 0.00 0.00 56.10 57.23 2d1u s TRP 88 Cb 0.01 0.63 0.13 0.00 -1.50 0.00 0.00 33.47 32.73 2d1u s TRP 88 CO 0.12 -0.92 0.99 -1.17 -4.62 0.00 0.00 176.95 171.35 2d1u s LEU 89 N -2.82 -0.51 -0.33 5.86 2.96 -1.26 -5.12 118.68 117.47 2d1u s LEU 89 Ca 0.08 0.90 -0.06 0.00 -0.22 0.00 0.00 54.13 54.84 2d1u s LEU 89 Cb -0.03 1.87 0.24 0.00 0.50 0.00 0.00 46.19 48.77 2d1u s LEU 89 CO -0.01 -0.15 1.17 0.61 -1.32 0.00 0.00 176.35 176.65 2d1u n GLY 90 N 2.87 -1.78 2.88 7.98 0.00 -1.26 -5.12 105.19 110.75 2d1u n GLY 90 Ca -0.15 1.22 -0.30 0.00 0.00 0.00 0.00 46.02 46.79 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 0.53 4.07 -0.07 1.61 2.15 -1.26 -5.10 116.67 118.60 2d1u s ASP 91 Ca 0.24 -1.54 0.01 0.00 0.43 0.00 0.00 52.55 51.69 2d1u s ASP 91 Cb 0.16 -1.14 0.02 0.00 -0.30 0.00 0.00 42.92 41.66 2d1u s ASP 91 CO -0.10 -0.33 -0.07 0.00 -0.17 0.00 0.00 175.17 174.50 2d1u s ALA 92 N 1.38 1.00 0.12 3.66 0.00 -1.26 -5.14 121.76 121.52 2d1u s ALA 92 Ca 0.04 -0.28 -0.07 0.00 0.00 0.00 0.00 51.96 51.64 2d1u s ALA 92 Cb -0.18 -0.63 -0.01 0.00 0.00 0.00 0.00 23.12 22.30 2d1u s ALA 92 CO -0.13 -0.14 0.19 1.03 0.00 0.00 0.00 175.76 176.70 2d1u s ARG 93 N 1.20 0.96 0.05 0.00 0.52 -1.26 -5.18 118.95 115.24 2d1u s ARG 93 Ca -0.06 -1.14 -0.07 0.00 -0.52 0.00 0.00 55.73 53.94 2d1u s ARG 93 Cb -0.14 0.33 -0.01 0.00 0.52 0.00 0.00 34.95 35.65 2d1u s ARG 93 CO -0.02 -0.31 0.13 -1.83 0.02 0.00 0.00 175.30 173.29 2d1u s GLU 94 N -3.94 0.67 0.35 3.54 4.04 -1.26 -5.18 118.70 116.93 2d1u s GLU 94 Ca 0.13 -0.80 -0.03 0.00 0.04 0.00 0.00 54.97 54.31 2d1u s GLU 94 Cb 0.05 0.27 0.01 0.00 0.02 0.00 0.00 34.13 34.47 2d1u s GLU 94 CO -0.05 -0.18 0.50 0.54 -1.84 0.00 0.00 175.26 174.23 2d1u s ASN 95 N -2.33 0.85 0.30 0.83 2.20 -1.26 -5.19 114.94 110.34 2d1u s ASN 95 Ca -0.02 -1.46 0.03 0.00 -0.94 0.00 0.00 52.86 50.47 2d1u s ASN 95 Cb 0.01 0.68 -0.03 0.00 -2.00 0.00 0.00 41.25 39.91 2d1u s ASN 95 CO -0.06 -1.32 0.28 -0.62 -2.94 0.00 0.00 177.10 172.44 2d1u s ASP 96 N -3.22 1.12 0.35 3.54 2.15 -1.26 -5.19 116.67 114.16 2d1u s ASP 96 Ca 0.29 -1.60 0.07 0.00 0.43 0.00 0.00 52.55 51.74 2d1u s ASP 96 Cb -0.01 0.53 -0.03 0.00 -0.30 0.00 0.00 42.92 43.12 2d1u s ASP 96 CO 0.20 -1.05 0.24 0.18 -0.17 0.00 0.00 175.17 174.57 2d1u n LEU 97 N -0.52 0.00 -3.71 -1.34 4.32 -1.26 -5.18 117.00 109.32 2d1u n LEU 97 Ca 0.05 -3.15 -0.14 0.00 -0.02 0.00 0.00 56.01 52.75 2d1u n LEU 97 Cb 0.63 1.49 -0.08 0.00 -1.62 0.00 0.00 43.42 43.84 2d1u n LEU 97 CO 0.32 -0.51 0.12 -1.83 -1.22 0.00 0.00 177.39 174.27 2d1u s GLU 98 N -3.41 0.71 0.54 3.23 4.04 -1.26 -5.18 118.70 117.37 2d1u s GLU 98 Ca 0.34 0.08 0.07 0.00 0.04 0.00 0.00 54.97 55.50 2d1u s GLU 98 Cb 0.02 0.32 0.05 0.00 0.02 0.00 0.00 34.13 34.54 2d1u s GLU 98 CO 0.24 -0.18 0.55 -3.38 -1.84 0.00 0.00 175.26 170.65 2d1u s HIS 99 N -0.95 1.69 0.32 4.83 -3.43 -1.26 -5.15 115.29 111.34 2d1u s HIS 99 Ca -0.10 -0.75 -0.12 0.00 -0.80 0.00 0.00 55.06 53.29 2d1u s HIS 99 Cb -0.04 -2.06 0.02 0.00 -1.43 0.00 0.00 32.58 29.07 2d1u s HIS 99 CO 0.05 -0.68 0.59 -3.38 -2.00 0.00 0.00 174.74 169.31 2d1u s HIS 100 N -2.69 0.43 -0.28 0.38 -3.43 -1.26 -5.18 115.29 103.26 2d1u s HIS 100 Ca 0.46 -0.85 -0.23 0.00 -0.80 0.00 0.00 55.06 53.64 2d1u s HIS 100 Cb -0.04 0.35 0.10 0.00 -1.43 0.00 0.00 32.58 31.56 2d1u s HIS 100 CO 0.29 -1.22 0.88 -1.58 -2.00 0.00 0.00 174.74 171.11 2d1u s HIS 101 N -3.28 -0.66 -0.14 0.38 2.46 -1.26 -5.17 115.29 107.62 2d1u s HIS 101 Ca 0.21 1.53 -0.09 0.00 0.47 0.00 0.00 55.06 57.18 2d1u s HIS 101 Cb -0.02 0.36 0.04 0.00 -0.13 0.00 0.00 32.58 32.83 2d1u s HIS 101 CO 0.13 -0.32 0.34 -3.38 -2.47 0.00 0.00 174.74 169.03 2d1u s HIS 102 N 0.57 -0.44 -0.01 3.88 -3.43 -1.26 -5.16 115.29 109.44 2d1u s HIS 102 Ca -0.01 1.00 -0.15 0.00 -0.80 0.00 0.00 55.06 55.10 2d1u s HIS 102 Cb -0.05 0.15 0.02 0.00 -1.43 0.00 0.00 32.58 31.28 2d1u s HIS 102 CO -0.06 -0.24 0.32 -1.58 -2.00 0.00 0.00 174.74 171.17 2d1u s HIS 103 N 0.82 -0.19 -0.20 0.38 2.46 -1.26 -5.39 115.29 111.90 2d1u s HIS 103 Ca -0.05 0.28 0.02 0.00 0.47 0.00 0.00 55.06 55.77 2d1u s HIS 103 Cb -0.06 0.11 0.01 0.00 -0.13 0.00 0.00 32.58 32.51 2d1u s HIS 103 CO -0.06 -0.40 0.55 1.58 -2.47 0.00 0.00 174.74 173.94