#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 2.25 -3.90 0.00 0.00 -1.26 -3.31 117.38 111.17 2d1u n GLN 2 Ca 0.00 0.82 -0.22 0.00 -0.00 0.00 0.00 57.00 57.60 2d1u n GLN 2 Cb 0.00 -2.66 -0.17 0.00 0.00 0.00 0.00 30.24 27.41 2d1u n GLN 2 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 2d1u s VAL 3 N 3.16 0.46 -0.25 1.69 1.01 0.85 -4.91 120.40 122.40 2d1u s VAL 3 Ca 0.88 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.89 2d1u s VAL 3 Cb -0.66 -0.56 0.04 0.00 0.00 0.00 0.00 36.38 35.20 2d1u s VAL 3 CO 0.46 0.25 -0.10 0.54 0.00 0.00 0.00 175.10 176.26 2d1u s ASN 4 N 1.60 4.23 -0.03 3.32 4.22 -1.26 -2.66 114.94 124.36 2d1u s ASN 4 Ca -0.00 -1.11 0.06 0.00 -2.14 0.00 0.00 52.86 49.67 2d1u s ASN 4 Cb -0.13 -1.59 -0.01 0.00 1.28 0.00 0.00 41.25 40.80 2d1u s ASN 4 CO -0.04 -0.15 -0.22 -0.63 -2.04 0.00 0.00 177.10 174.03 2d1u s ILE 5 N 1.21 1.75 -0.05 0.54 1.01 -0.44 -4.92 121.20 120.30 2d1u s ILE 5 Ca -0.04 -0.93 -0.21 0.00 0.00 0.00 0.00 60.65 59.47 2d1u s ILE 5 Cb -0.18 -1.46 -0.04 0.00 0.01 0.00 0.00 42.46 40.78 2d1u s ILE 5 CO -0.06 0.49 0.62 0.00 0.00 0.00 0.00 174.94 176.00 2d1u s ALA 6 N -0.35 3.41 1.00 9.38 0.00 -1.26 -2.75 121.76 131.19 2d1u s ALA 6 Ca 0.04 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.04 2d1u s ALA 6 Cb -0.10 -2.82 0.00 0.00 0.00 0.00 0.00 23.12 20.19 2d1u s ALA 6 CO 0.01 0.01 0.00 -0.35 0.00 0.00 0.00 175.76 175.43 2d1u n PRO 7 N 3.36 0.37 0.00 0.00 -0.04 -1.26 -4.74 135.00 132.69 2d1u n PRO 7 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 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 2.45 0.99 0.00 0.55 0.00 -1.25 -4.96 105.19 102.96 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 -1.26 0.00 0.00 0.00 173.32 172.06 2d1u n SER 9 N 0.00 0.00 -0.02 1.61 2.88 -1.26 -4.93 113.62 111.91 2d1u n SER 9 Ca 0.00 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.38 2d1u n SER 9 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 2d1u n SER 9 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2d1u h LEU 10 N 0.00 0.45 -0.35 2.46 6.46 -1.78 -1.49 115.31 121.06 2d1u h LEU 10 Ca 0.00 -0.71 -0.01 0.00 -0.12 0.00 0.00 57.88 57.04 2d1u h LEU 10 Cb 0.00 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 39.78 2d1u h LEU 10 CO 0.00 1.10 0.17 -0.78 -0.62 0.00 0.00 178.44 178.31 2d1u h ASP 11 N -0.16 0.46 -0.00 1.25 3.58 -1.88 -0.75 116.42 118.92 2d1u h ASP 11 Ca -0.04 -0.12 -0.00 0.00 0.42 0.00 0.00 57.03 57.28 2d1u h ASP 11 Cb 1.13 -0.12 -0.00 0.00 1.72 0.00 0.00 39.33 42.06 2d1u h ASP 11 CO 0.09 0.46 0.00 0.50 -2.88 0.00 0.00 179.24 177.41 2d1u h LYS 12 N 0.44 0.01 -0.65 0.28 1.63 -1.96 -2.52 116.57 113.78 2d1u h LYS 12 Ca 0.12 -0.00 0.08 0.00 -0.85 0.00 0.00 60.65 60.00 2d1u h LYS 12 Cb 0.12 -0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.70 2d1u h LYS 12 CO -0.02 0.30 0.43 0.00 -3.45 0.00 0.00 179.45 176.72 2d1u h ALA 13 N 0.71 1.87 0.06 5.00 0.00 -1.20 -0.89 119.26 124.80 2d1u h ALA 13 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2d1u h ALA 13 Cb 0.30 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2d1u h ALA 13 CO 0.00 0.01 -0.03 1.25 0.00 0.00 0.00 179.25 180.48 2d1u h LEU 14 N 0.57 -0.07 -1.56 0.00 5.85 -0.96 -2.80 115.31 116.35 2d1u h LEU 14 Ca 0.29 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 2d1u h LEU 14 Cb 0.41 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 2d1u h LEU 14 CO -0.09 0.20 -0.03 0.78 -0.34 0.00 0.00 178.44 178.96 2d1u h ASN 15 N -0.34 0.23 0.58 1.25 2.35 -0.99 0.25 115.58 118.92 2d1u h ASN 15 Ca -0.01 -0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.69 2d1u h ASN 15 Cb 0.30 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.61 2d1u h ASN 15 CO 0.01 0.30 -0.34 1.56 -1.65 0.00 0.00 177.43 177.32 2d1u h GLN 16 N 0.24 -0.83 -0.07 0.81 1.08 -0.99 0.63 115.11 115.98 2d1u h GLN 16 Ca 0.06 0.06 -0.20 0.00 -1.45 0.00 0.00 58.65 57.11 2d1u h GLN 16 Cb 0.22 0.19 -0.00 0.00 -0.05 0.00 0.00 27.48 27.83 2d1u h GLN 16 CO 0.01 -0.55 -0.80 0.10 -0.95 0.00 0.00 178.83 176.63 2d1u h TYR 17 N -0.86 0.65 -0.19 2.96 -0.00 -1.35 -2.98 116.97 115.20 2d1u h TYR 17 Ca -0.07 -0.31 -0.01 0.00 0.00 0.00 0.00 58.73 58.34 2d1u h TYR 17 Cb 0.69 -0.09 -0.01 0.00 0.00 0.00 0.00 36.73 37.32 2d1u h TYR 17 CO -0.08 1.09 0.06 0.00 -0.00 0.00 0.00 178.16 179.24 2d1u h ALA 18 N 0.82 1.75 0.00 0.10 0.00 -0.43 -1.24 119.26 120.26 2d1u h ALA 18 Ca -0.05 -0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 2d1u h ALA 18 Cb 1.40 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 2d1u h ALA 18 CO 0.14 0.20 -0.83 0.00 0.00 0.00 0.00 179.25 178.76 2d1u h ALA 19 N 1.81 0.54 0.00 0.00 0.00 -0.81 -2.29 119.26 118.50 2d1u h ALA 19 Ca 0.07 -0.76 -0.11 0.00 0.00 0.00 0.00 54.91 54.10 2d1u h ALA 19 Cb 0.08 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2d1u h ALA 19 CO -0.01 1.04 -0.54 1.12 0.00 0.00 0.00 179.25 180.86 2d1u h HIS 20 N 0.00 0.00 0.00 0.00 2.07 -1.17 -3.36 115.15 112.70 2d1u h HIS 20 Ca -0.01 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.51 2d1u h HIS 20 Cb 1.55 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.53 2d1u h HIS 20 CO 0.00 0.54 -0.18 1.03 -3.07 0.00 0.00 177.93 176.26 2d1u h SER 21 N 0.00 0.00 0.00 3.10 0.87 -1.26 -3.50 113.55 112.76 2d1u h SER 21 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2d1u h SER 21 Cb 1.25 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 2d1u h SER 21 CO 0.07 0.52 0.00 0.61 -0.53 0.00 0.00 176.83 177.51 2d1u n GLY 22 N 1.74 1.81 3.56 5.77 0.00 -0.86 -5.06 105.19 112.14 2d1u n GLY 22 Ca -0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 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 2.31 0.11 1.61 -0.71 -1.24 -5.10 117.98 112.97 2d1u s PHE 23 Ca 0.00 -0.78 0.04 0.00 -1.04 0.00 0.00 56.93 55.15 2d1u s PHE 23 Cb 0.00 -1.59 -0.04 0.00 -1.21 0.00 0.00 43.02 40.18 2d1u s PHE 23 CO 0.00 0.29 0.10 0.99 -1.34 0.00 0.00 175.22 175.25 2d1u s THR 24 N -2.93 4.49 -0.02 -4.49 2.01 -1.09 -4.83 115.64 108.78 2d1u s THR 24 Ca 0.36 -0.91 0.00 0.00 0.31 0.00 0.00 61.69 61.45 2d1u s THR 24 Cb 0.10 -3.21 0.02 0.00 0.01 0.00 0.00 72.50 69.41 2d1u s THR 24 CO 0.17 0.03 -0.00 -0.22 -0.69 0.00 0.00 174.62 173.91 2d1u s LEU 25 N -2.68 1.38 -0.33 4.42 2.96 -1.26 -1.58 118.68 121.58 2d1u s LEU 25 Ca 0.30 -0.02 0.02 0.00 -0.22 0.00 0.00 54.13 54.21 2d1u s LEU 25 Cb -0.11 -0.16 0.09 0.00 0.50 0.00 0.00 46.19 46.50 2d1u s LEU 25 CO 0.22 -0.07 0.04 -0.44 -1.32 0.00 0.00 176.35 174.78 2d1u s SER 26 N 0.74 4.81 -0.01 3.68 0.01 0.99 -4.92 113.70 118.99 2d1u s SER 26 Ca -0.07 -1.90 0.03 0.00 1.31 0.00 0.00 55.95 55.32 2d1u s SER 26 Cb -0.10 -1.66 -0.01 0.00 0.21 0.00 0.00 66.02 64.46 2d1u s SER 26 CO -0.01 -0.36 -0.10 0.54 0.41 0.00 0.00 173.24 173.71 2d1u s VAL 27 N 1.02 0.81 -0.35 3.43 0.11 -1.26 -4.10 120.40 120.07 2d1u s VAL 27 Ca 0.05 -0.43 -0.36 0.00 -2.93 0.00 0.00 61.98 58.32 2d1u s VAL 27 Cb -0.20 -0.69 -0.12 0.00 -1.53 0.00 0.00 36.38 33.84 2d1u s VAL 27 CO -0.06 0.23 2.17 0.47 -3.33 0.00 0.00 175.10 174.58 2d1u n ASP 28 N 2.92 2.10 0.16 3.54 8.00 -1.26 -4.78 116.55 127.24 2d1u n ASP 28 Ca -0.15 0.45 0.12 0.00 0.71 0.00 0.00 54.79 55.93 2d1u n ASP 28 Cb 0.56 -1.24 0.58 0.00 -0.02 0.00 0.00 41.12 41.00 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 12.02 1.00 -0.51 2.24 0.00 -1.98 -3.00 119.26 129.03 2d1u h ALA 29 Ca -0.27 0.00 0.10 0.00 0.00 0.00 0.00 54.91 54.74 2d1u h ALA 29 Cb 1.32 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 19.03 2d1u h ALA 29 CO 1.02 0.00 0.02 0.77 0.00 0.00 0.00 179.25 181.06 2d1u h SER 30 N 0.00 -0.18 0.65 0.00 0.02 -1.91 -1.18 113.55 110.94 2d1u h SER 30 Ca 0.00 0.12 -0.27 0.00 -0.84 0.00 0.00 61.79 60.80 2d1u h SER 30 Cb 0.18 0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 2d1u h SER 30 CO 0.00 -0.06 -1.38 -0.07 -1.14 0.00 0.00 176.83 174.18 2d1u h LEU 31 N 0.14 0.18 -1.86 5.07 4.07 -1.92 -3.30 115.31 117.68 2d1u h LEU 31 Ca 0.26 -0.25 0.13 0.00 0.08 0.00 0.00 57.88 58.10 2d1u h LEU 31 Cb 0.39 -0.06 -0.03 0.00 1.08 0.00 0.00 40.66 42.04 2d1u h LEU 31 CO -0.41 1.21 0.37 0.74 -1.08 0.00 0.00 178.44 179.27 2d1u h THR 32 N 0.03 0.80 -3.72 0.22 2.02 -1.39 -3.39 112.91 107.49 2d1u h THR 32 Ca -0.17 -0.05 -0.63 0.00 0.77 0.00 0.00 66.41 66.33 2d1u h THR 32 Cb 1.93 0.64 -0.15 0.00 -1.74 0.00 0.00 68.15 68.83 2d1u h THR 32 CO 0.14 0.03 -0.34 0.00 0.37 0.00 0.00 175.52 175.71 2d1u s ARG 33 N -5.16 4.03 0.00 6.66 1.04 -0.50 -4.26 118.95 120.76 2d1u s ARG 33 Ca -0.06 -0.07 0.00 0.00 -1.04 0.00 0.00 55.73 54.56 2d1u s ARG 33 Cb 0.20 -3.63 0.00 0.00 -2.04 0.00 0.00 34.95 29.48 2d1u s ARG 33 CO 0.74 -0.18 0.00 0.41 -0.04 0.00 0.00 175.30 176.23 2d1u n GLY 34 N 4.63 1.39 3.55 3.88 0.00 -1.26 -4.93 105.19 112.46 2d1u n GLY 34 Ca -0.11 -0.18 -0.25 0.00 0.00 0.00 0.00 46.02 45.48 2d1u n GLY 34 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2d1u s LYS 35 N 0.00 1.84 0.53 1.61 -2.85 -1.26 -5.15 119.74 114.46 2d1u s LYS 35 Ca 0.00 -2.03 0.04 0.00 -1.00 0.00 0.00 55.97 52.98 2d1u s LYS 35 Cb 0.00 -1.33 0.02 0.00 -2.06 0.00 0.00 37.83 34.46 2d1u s LYS 35 CO 0.00 -0.10 0.30 -0.65 0.10 0.00 0.00 175.35 175.00 2d1u s GLN 36 N -3.78 2.24 -0.01 1.78 1.11 -1.26 -3.71 119.66 116.03 2d1u s GLN 36 Ca 0.36 -2.11 -0.09 0.00 0.01 0.00 0.00 55.36 53.53 2d1u s GLN 36 Cb 0.09 -1.96 0.01 0.00 -1.01 0.00 0.00 33.01 30.14 2d1u s GLN 36 CO 0.17 -0.55 0.17 0.45 0.01 0.00 0.00 175.29 175.55 2d1u s SER 37 N -4.18 -0.04 -0.02 5.90 0.15 -1.26 -4.66 113.70 109.59 2d1u s SER 37 Ca 0.27 -0.08 -0.30 0.00 0.70 0.00 0.00 55.95 56.54 2d1u s SER 37 Cb -0.01 0.25 -0.04 0.00 -1.71 0.00 0.00 66.02 64.50 2d1u s SER 37 CO 0.17 -0.35 1.26 0.21 1.20 0.00 0.00 173.24 175.73 2d1u s ASN 38 N -1.19 6.99 1.02 5.45 3.84 -1.12 -3.88 114.94 126.05 2d1u s ASN 38 Ca -0.13 1.94 -0.01 0.00 0.21 0.00 0.00 52.86 54.87 2d1u s ASN 38 Cb -0.06 -2.56 0.02 0.00 -0.55 0.00 0.00 41.25 38.09 2d1u s ASN 38 CO 0.02 -0.60 0.04 0.61 -2.79 0.00 0.00 177.10 174.38 2d1u n GLY 39 N 3.42 -3.29 3.69 1.21 0.00 -1.26 -4.23 105.19 104.73 2d1u n GLY 39 Ca 0.11 -1.31 -0.24 0.00 0.00 0.00 0.00 46.02 44.58 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 3.36 -0.29 0.99 2.96 -1.11 -4.57 118.68 120.02 2d1u s LEU 40 Ca 0.03 -0.46 0.04 0.00 -0.22 0.00 0.00 54.13 53.52 2d1u s LEU 40 Cb -0.00 -1.94 0.20 0.00 0.50 0.00 0.00 46.19 44.94 2d1u s LEU 40 CO 0.03 0.03 0.61 -2.28 -1.32 0.00 0.00 176.35 173.42 2d1u s HIS 41 N -2.03 -1.76 -1.89 5.38 2.46 -1.09 -1.33 115.29 115.03 2d1u s HIS 41 Ca 0.30 1.14 0.00 0.00 0.47 0.00 0.00 55.06 56.97 2d1u s HIS 41 Cb -0.08 0.34 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 0.58 3.59 1.59 0.00 -1.12 -4.96 105.19 110.26 2d1u n GLY 42 Ca 0.04 -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 -3.37 6.44 -0.18 1.61 -4.77 -1.26 -0.10 116.67 115.04 2d1u s ASP 43 Ca 0.00 0.29 -0.09 0.00 -3.30 0.00 0.00 52.55 49.45 2d1u s ASP 43 Cb 0.00 -2.32 0.06 0.00 -1.09 0.00 0.00 42.92 39.58 2d1u s ASP 43 CO 0.00 -0.49 0.42 -0.31 0.70 0.00 0.00 175.17 175.49 2d1u s TYR 44 N 2.58 -0.64 0.70 2.11 2.02 -1.21 -4.91 117.35 118.00 2d1u s TYR 44 Ca 0.24 1.34 -0.11 0.00 -0.37 0.00 0.00 57.07 58.16 2d1u s TYR 44 Cb -0.15 0.28 0.18 0.00 -0.40 0.00 0.00 41.96 41.87 2d1u s TYR 44 CO 0.13 -0.36 0.40 -0.25 -1.57 0.00 0.00 175.55 173.89 2d1u n ASP 45 N 4.39 -2.97 -0.11 2.29 9.92 -1.26 -4.08 116.55 124.72 2d1u n ASP 45 Ca -0.22 -0.41 -0.09 0.00 -0.53 0.00 0.00 54.79 53.55 2d1u n ASP 45 Cb 0.55 -0.48 -0.01 0.00 -0.64 0.00 0.00 41.12 40.54 2d1u n ASP 45 CO 0.00 0.00 0.00 1.62 0.13 0.00 0.00 177.20 178.95 2d1u h VAL 46 N -2.75 1.13 0.11 2.53 3.04 -1.97 0.32 116.25 118.67 2d1u h VAL 46 Ca -0.18 -0.32 -0.01 0.00 -1.01 0.00 0.00 66.70 65.19 2d1u h VAL 46 Cb 0.62 0.71 0.00 0.00 -2.01 0.00 0.00 31.29 30.61 2d1u h VAL 46 CO 0.11 0.13 -0.05 -0.33 -1.01 0.00 0.00 177.57 176.42 2d1u h GLU 47 N 0.44 -0.14 -0.07 4.17 5.08 -1.99 -1.58 114.58 120.50 2d1u h GLU 47 Ca 0.12 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.52 2d1u h GLU 47 Cb 0.03 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 2d1u h GLU 47 CO -0.02 0.36 -0.13 1.03 -1.00 0.00 0.00 179.01 179.25 2d1u h SER 48 N -0.82 -0.39 -0.47 1.42 0.87 -1.88 -1.77 113.55 110.50 2d1u h SER 48 Ca -0.01 0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.60 2d1u h SER 48 Cb 0.57 0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.68 2d1u h SER 48 CO 0.02 -0.18 0.23 1.23 -0.53 0.00 0.00 176.83 177.61 2d1u h GLY 49 N -0.19 0.73 0.26 5.77 0.00 -0.47 -2.25 103.07 106.92 2d1u h GLY 49 Ca 0.07 -0.36 0.05 0.00 0.00 0.00 0.00 47.33 47.09 2d1u h GLY 49 CO -0.18 0.34 -0.23 -2.00 0.00 0.00 0.00 176.54 174.47 2d1u h LEU 50 N 0.62 -0.73 -2.22 3.11 5.85 -0.96 0.96 115.31 121.94 2d1u h LEU 50 Ca 0.16 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.99 2d1u h LEU 50 Cb 0.12 0.33 -0.00 0.00 0.37 0.00 0.00 40.66 41.48 2d1u h LEU 50 CO -0.02 -0.28 -0.06 1.56 -0.34 0.00 0.00 178.44 179.30 2d1u h GLN 51 N -0.27 0.00 0.00 1.25 1.08 -1.24 -1.13 115.11 114.80 2d1u h GLN 51 Ca 0.11 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.21 2d1u h GLN 51 Cb 0.44 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.86 2d1u h GLN 51 CO -0.33 0.06 -0.49 1.96 -0.95 0.00 0.00 178.83 179.08 2d1u h GLN 52 N 0.00 0.00 0.17 1.46 1.08 -0.25 -0.91 115.11 116.65 2d1u h GLN 52 Ca -0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 2d1u h GLN 52 Cb 0.17 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.61 2d1u h GLN 52 CO 0.01 0.49 -0.08 -0.07 -0.95 0.00 0.00 178.83 178.22 2d1u h LEU 53 N 0.00 -0.19 0.00 1.46 -0.00 0.12 -3.25 115.31 113.44 2d1u h LEU 53 Ca -0.00 -0.30 0.00 0.00 -0.00 0.00 0.00 57.88 57.57 2d1u h LEU 53 Cb 1.18 0.05 0.00 0.00 -0.00 0.00 0.00 40.66 41.89 2d1u h LEU 53 CO 0.06 0.37 0.00 0.00 -0.00 0.00 0.00 178.44 178.88 2d1u n LEU 54 N -4.91 0.00 -4.58 1.67 -0.00 -1.11 -2.81 117.00 105.26 2d1u n LEU 54 Ca -0.07 0.20 -0.56 0.00 -0.00 0.00 0.00 56.01 55.58 2d1u n LEU 54 Cb 0.24 -0.20 -0.08 0.00 -0.00 0.00 0.00 43.42 43.38 2d1u n LEU 54 CO 0.21 -0.01 1.51 -0.67 -0.00 0.00 0.00 177.39 178.44 2d1u n ASP 55 N -1.20 2.06 0.00 1.45 2.03 -0.35 -3.65 116.55 116.89 2d1u n ASP 55 Ca 0.17 0.84 0.00 0.00 0.52 0.00 0.00 54.79 56.31 2d1u n ASP 55 Cb 0.20 -1.13 0.00 0.00 -0.72 0.00 0.00 41.12 39.46 2d1u n ASP 55 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2d1u n GLY 56 N 5.31 0.22 0.07 0.27 0.00 -1.26 -4.67 105.19 105.12 2d1u n GLY 56 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 3.69 -0.80 1.61 3.41 -1.24 -5.12 113.62 115.17 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 3.46 -1.51 3.35 5.00 0.00 -1.26 -5.08 105.19 109.14 2d1u n GLY 58 Ca 0.00 -0.55 -0.19 0.00 0.00 0.00 0.00 46.02 45.28 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 1.70 -0.02 0.99 1.02 -1.26 -4.43 118.68 116.69 2d1u s LEU 59 Ca 0.00 -1.54 0.01 0.00 0.02 0.00 0.00 54.13 52.62 2d1u s LEU 59 Cb 0.00 0.14 -0.03 0.00 0.02 0.00 0.00 46.19 46.32 2d1u s LEU 59 CO 0.00 -0.87 -0.02 0.00 0.02 0.00 0.00 176.35 175.48 2d1u s GLN 60 N -3.83 2.74 -0.14 1.70 -2.07 -1.03 -4.94 119.66 112.09 2d1u s GLN 60 Ca 0.35 -0.61 0.00 0.00 -1.82 0.00 0.00 55.36 53.28 2d1u s GLN 60 Cb 0.05 -2.63 0.02 0.00 -1.09 0.00 0.00 33.01 29.36 2d1u s GLN 60 CO 0.17 0.63 -0.12 0.08 -1.32 0.00 0.00 175.29 174.73 2d1u s VAL 61 N -1.02 1.41 -0.01 3.63 1.01 -1.26 -1.93 120.40 122.23 2d1u s VAL 61 Ca 0.18 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.66 2d1u s VAL 61 Cb -0.11 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 34.92 2d1u s VAL 61 CO 0.08 0.43 -0.11 -1.59 0.00 0.00 0.00 175.10 173.90 2d1u s LYS 62 N 1.52 0.98 0.80 2.72 0.00 -1.00 -4.93 119.74 119.83 2d1u s LYS 62 Ca 0.04 -0.41 -0.11 0.00 0.00 0.00 0.00 55.97 55.50 2d1u s LYS 62 Cb -0.13 -0.93 0.07 0.00 0.00 0.00 0.00 37.83 36.84 2d1u s LYS 62 CO -0.10 0.23 1.09 -1.25 0.00 0.00 0.00 175.35 175.33 2d1u s PRO 63 N -0.20 2.04 0.01 1.78 0.04 -1.26 -2.03 135.00 135.38 2d1u s PRO 63 Ca 0.03 1.10 -0.03 0.00 0.04 0.00 0.00 61.00 62.13 2d1u s PRO 63 Cb -0.05 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.59 2d1u s PRO 63 CO -0.00 -1.77 -0.07 1.28 0.04 0.00 0.00 177.00 176.48 2d1u n LEU 64 N -3.60 0.97 0.00 -3.56 4.77 0.16 -4.90 117.00 110.85 2d1u n LEU 64 Ca 0.09 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 2d1u n LEU 64 Cb 0.53 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 2d1u n LEU 64 CO 0.54 -0.40 0.00 0.61 -1.33 0.00 0.00 177.39 176.81 2d1u n GLY 65 N 2.95 1.96 0.00 -0.72 0.00 -1.26 -5.02 105.19 103.11 2d1u n GLY 65 Ca -0.06 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.96 1.61 5.15 -1.26 -4.61 115.26 115.19 2d1u n ASN 66 Ca 0.00 0.34 0.05 0.00 -0.60 0.00 0.00 54.58 54.37 2d1u n ASN 66 Cb 0.00 0.00 0.12 0.00 -0.53 0.00 0.00 39.78 39.37 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 -0.39 1.39 -4.60 1.20 4.05 -1.26 -5.04 115.26 110.61 2d1u n ASN 67 Ca 0.00 -3.04 -0.40 0.00 0.45 0.00 0.00 54.58 51.60 2d1u n ASN 67 Cb 0.00 -0.42 -0.08 0.00 1.23 0.00 0.00 39.78 40.50 2d1u n ASN 67 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 177.26 173.77 2d1u s SER 68 N -2.65 6.32 0.17 1.20 0.01 -1.26 -2.67 113.70 114.82 2d1u s SER 68 Ca 0.35 0.33 0.08 0.00 1.31 0.00 0.00 55.95 58.02 2d1u s SER 68 Cb 0.37 -2.24 -0.04 0.00 0.21 0.00 0.00 66.02 64.32 2d1u s SER 68 CO -0.11 -0.25 -0.03 0.26 0.41 0.00 0.00 173.24 173.52 2d1u s TRP 69 N 2.18 2.79 0.07 2.43 0.52 -0.62 0.41 118.94 126.72 2d1u s TRP 69 Ca 0.17 -0.16 0.02 0.00 0.02 0.00 0.00 56.10 56.15 2d1u s TRP 69 Cb -0.16 -1.36 -0.03 0.00 -1.15 0.00 0.00 33.47 30.77 2d1u s TRP 69 CO 0.10 0.51 -0.06 -0.08 0.02 0.00 0.00 176.95 177.44 2d1u s THR 70 N -1.70 0.55 0.08 2.01 -1.32 -0.86 -0.01 115.64 114.39 2d1u s THR 70 Ca 0.27 -1.55 0.03 0.00 -1.21 0.00 0.00 61.69 59.23 2d1u s THR 70 Cb -0.09 -1.19 -0.04 0.00 -1.51 0.00 0.00 72.50 69.67 2d1u s THR 70 CO 0.17 -0.68 0.06 -0.76 -2.21 0.00 0.00 174.62 171.20 2d1u s LEU 71 N -2.40 3.74 0.08 9.08 2.01 -1.26 -2.38 118.68 127.56 2d1u s LEU 71 Ca 0.02 -0.03 -0.13 0.00 0.01 0.00 0.00 54.13 53.99 2d1u s LEU 71 Cb -0.01 -2.42 0.02 0.00 0.01 0.00 0.00 46.19 43.79 2d1u s LEU 71 CO -0.03 0.18 0.30 -1.61 1.01 0.00 0.00 176.35 176.20 2d1u s GLU 72 N -2.34 0.90 -0.04 1.70 0.41 -0.81 -4.86 118.70 113.66 2d1u s GLU 72 Ca 0.28 -0.69 -0.30 0.00 -0.41 0.00 0.00 54.97 53.85 2d1u s GLU 72 Cb -0.12 0.38 -0.05 0.00 -1.78 0.00 0.00 34.13 32.56 2d1u s GLU 72 CO 0.21 -0.31 1.48 -1.25 -0.49 0.00 0.00 175.26 174.90 2d1u s PRO 73 N -3.28 4.24 0.27 0.39 0.04 -1.26 -2.47 135.00 132.93 2d1u s PRO 73 Ca 0.00 2.02 0.10 0.00 0.04 0.00 0.00 61.00 63.16 2d1u s PRO 73 Cb 0.02 -3.73 -0.05 0.00 0.04 0.00 0.00 34.50 30.78 2d1u s PRO 73 CO -0.08 -0.69 -0.04 0.00 0.04 0.00 0.00 177.00 176.22 2d1u s ALA 74 N 3.11 3.08 0.65 8.56 0.00 -1.26 -4.89 121.76 131.01 2d1u s ALA 74 Ca 0.66 -1.72 -0.15 0.00 0.00 0.00 0.00 51.96 50.75 2d1u s ALA 74 Cb -0.31 -0.64 -0.00 0.00 0.00 0.00 0.00 23.12 22.16 2d1u s ALA 74 CO 0.26 0.25 1.11 -1.25 0.00 0.00 0.00 175.76 176.14 2d1u s PRO 75 N -3.64 2.84 0.42 0.00 0.04 -1.26 -4.94 135.00 128.46 2d1u s PRO 75 Ca 0.31 1.40 -0.02 0.00 0.04 0.00 0.00 61.00 62.73 2d1u s PRO 75 Cb -0.06 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 2d1u s PRO 75 CO 0.19 -1.22 0.68 0.00 0.04 0.00 0.00 177.00 176.69 2d1u s ALA 76 N -2.30 3.55 0.95 8.56 0.00 -1.26 -5.03 121.76 126.23 2d1u s ALA 76 Ca 0.67 -0.72 -0.12 0.00 0.00 0.00 0.00 51.96 51.79 2d1u s ALA 76 Cb -0.21 -2.35 0.16 0.00 0.00 0.00 0.00 23.12 20.73 2d1u s ALA 76 CO 0.40 -0.22 1.09 -1.25 0.00 0.00 0.00 175.76 175.78 2d1u s PRO 77 N -4.55 0.79 -0.53 0.00 0.04 -1.26 -4.85 135.00 124.64 2d1u s PRO 77 Ca 0.44 0.66 -0.29 0.00 0.04 0.00 0.00 61.00 61.85 2d1u s PRO 77 Cb -0.10 -1.77 -0.11 0.00 0.04 0.00 0.00 34.50 32.56 2d1u s PRO 77 CO 0.41 -2.52 2.40 1.17 0.04 0.00 0.00 177.00 178.50 2d1u n LYS 78 N -4.05 0.94 -2.06 4.56 3.00 -1.26 -4.89 118.16 114.39 2d1u n LYS 78 Ca 0.06 0.12 -0.39 0.00 -0.00 0.00 0.00 58.31 58.10 2d1u n LYS 78 Cb 0.56 -2.81 -0.00 0.00 0.00 0.00 0.00 35.03 32.78 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 7.76 3.93 -0.08 1.64 2.56 -1.26 -5.03 118.70 128.22 2d1u s GLU 79 Ca 1.09 2.13 -0.31 0.00 0.00 0.00 0.00 54.97 57.88 2d1u s GLU 79 Cb -0.57 -2.72 0.09 0.00 2.00 0.00 0.00 34.13 32.93 2d1u s GLU 79 CO 0.37 -0.52 0.76 0.16 -0.56 0.00 0.00 175.26 175.48 2d1u s ASP 80 N -0.79 -0.58 0.23 -1.70 -4.77 -1.26 -5.14 116.67 102.66 2d1u s ASP 80 Ca 0.58 0.62 -0.32 0.00 -3.30 0.00 0.00 52.55 50.13 2d1u s ASP 80 Cb -0.37 0.48 -0.12 0.00 -1.09 0.00 0.00 42.92 41.81 2d1u s ASP 80 CO 0.48 -0.54 1.63 0.00 0.70 0.00 0.00 175.17 177.44 2d1u n ALA 81 N 0.84 2.36 -1.67 2.11 0.00 -1.26 -4.87 120.51 118.03 2d1u n ALA 81 Ca -0.17 0.40 -0.44 0.00 0.00 0.00 0.00 53.44 53.23 2d1u n ALA 81 Cb 0.57 -2.46 -0.04 0.00 0.00 0.00 0.00 19.45 17.53 2d1u n ALA 81 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2d1u n LEU 82 N 3.19 3.88 -4.69 0.00 7.99 -1.26 -4.93 117.00 121.18 2d1u n LEU 82 Ca 0.14 0.91 -0.33 0.00 -0.01 0.00 0.00 56.01 56.71 2d1u n LEU 82 Cb 0.34 -1.47 0.14 0.00 -0.11 0.00 0.00 43.42 42.32 2d1u n LEU 82 CO 0.64 0.09 0.75 0.28 -1.51 0.00 0.00 177.39 177.64 2d1u s THR 83 N 4.46 2.02 0.16 -5.08 -1.32 -1.26 -4.90 115.64 109.72 2d1u s THR 83 Ca 0.91 0.01 -0.31 0.00 -1.21 0.00 0.00 61.69 61.08 2d1u s THR 83 Cb -0.53 -2.33 -0.10 0.00 -1.51 0.00 0.00 72.50 68.03 2d1u s THR 83 CO 0.45 -0.01 1.65 -0.69 -2.21 0.00 0.00 174.62 173.82 2d1u s VAL 84 N -2.25 2.51 0.74 5.08 1.01 -1.26 -4.95 120.40 121.28 2d1u s VAL 84 Ca 0.72 0.29 -0.15 0.00 0.00 0.00 0.00 61.98 62.84 2d1u s VAL 84 Cb -0.28 -3.19 0.04 0.00 0.00 0.00 0.00 36.38 32.96 2d1u s VAL 84 CO 0.52 0.02 1.21 1.33 0.00 0.00 0.00 175.10 178.18 2d1u n VAL 85 N 4.17 3.26 -4.45 2.92 0.24 -1.26 -5.04 118.33 118.17 2d1u n VAL 85 Ca 0.15 -0.34 -0.23 0.00 -2.04 0.00 0.00 64.34 61.89 2d1u n VAL 85 Cb 0.38 -1.30 -0.09 0.00 -1.47 0.00 0.00 33.84 31.36 2d1u n VAL 85 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2d1u s GLY 86 N -1.78 2.34 0.11 7.63 0.00 -1.26 -5.17 107.32 109.18 2d1u s GLY 86 Ca 0.77 -1.55 0.01 0.00 0.00 0.00 0.00 44.72 43.95 2d1u s GLY 86 CO 0.47 -1.76 -0.05 0.51 0.00 0.00 0.00 173.10 172.27 2d1u s ASP 87 N -3.52 1.04 0.22 1.64 -4.77 -1.26 -5.17 116.67 104.86 2d1u s ASP 87 Ca 0.30 -1.04 0.09 0.00 -3.30 0.00 0.00 52.55 48.60 2d1u s ASP 87 Cb 0.05 0.12 -0.04 0.00 -1.09 0.00 0.00 42.92 41.95 2d1u s ASP 87 CO 0.15 -0.51 -0.06 0.86 0.70 0.00 0.00 175.17 176.32 2d1u s TRP 88 N -3.68 2.65 -0.12 2.11 -0.11 -1.26 -5.14 118.94 113.39 2d1u s TRP 88 Ca 0.14 -0.22 -0.16 0.00 1.22 0.00 0.00 56.10 57.08 2d1u s TRP 88 Cb 0.06 -1.23 0.04 0.00 -1.50 0.00 0.00 33.47 30.83 2d1u s TRP 88 CO -0.04 0.57 0.41 -0.48 -4.62 0.00 0.00 176.95 172.80 2d1u s LEU 89 N -3.24 0.42 -0.16 5.86 2.34 -1.26 -5.15 118.68 117.49 2d1u s LEU 89 Ca 0.28 0.69 -0.01 0.00 0.06 0.00 0.00 54.13 55.15 2d1u s LEU 89 Cb -0.08 1.48 0.05 0.00 -0.56 0.00 0.00 46.19 47.08 2d1u s LEU 89 CO 0.17 -0.23 -0.01 -0.83 -1.06 0.00 0.00 176.35 174.39 2d1u s GLY 90 N -0.17 0.79 -0.54 -3.48 0.00 -1.26 -5.02 107.32 97.64 2d1u s GLY 90 Ca -0.03 -0.67 0.04 0.00 0.00 0.00 0.00 44.72 44.05 2d1u s GLY 90 CO 0.02 1.15 1.26 1.22 0.00 0.00 0.00 173.10 176.75 2d1u n ASP 91 N 4.98 5.22 -3.83 1.64 8.00 -1.26 -4.93 116.55 126.37 2d1u n ASP 91 Ca -0.10 -3.74 -0.30 0.00 0.71 0.00 0.00 54.79 51.37 2d1u n ASP 91 Cb 0.48 -0.59 -0.14 0.00 -0.02 0.00 0.00 41.12 40.85 2d1u n ASP 91 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2d1u s ALA 92 N -3.64 2.69 0.01 2.24 0.00 -1.26 -5.08 121.76 116.71 2d1u s ALA 92 Ca 0.49 -2.87 -0.08 0.00 0.00 0.00 0.00 51.96 49.50 2d1u s ALA 92 Cb 0.39 -2.01 0.00 0.00 0.00 0.00 0.00 23.12 21.50 2d1u s ALA 92 CO -0.22 -2.02 0.14 -0.98 0.00 0.00 0.00 175.76 172.69 2d1u s ARG 93 N 0.13 0.53 -0.49 0.00 1.70 -1.26 -5.10 118.95 114.45 2d1u s ARG 93 Ca 0.17 -0.47 0.06 0.00 -0.47 0.00 0.00 55.73 55.02 2d1u s ARG 93 Cb -0.25 0.22 0.22 0.00 -0.57 0.00 0.00 34.95 34.57 2d1u s ARG 93 CO -0.01 -0.13 0.53 -1.91 -1.08 0.00 0.00 175.30 172.70 2d1u n GLU 94 N 1.25 1.16 -3.96 3.89 2.13 -1.26 -5.09 120.64 118.75 2d1u n GLU 94 Ca -0.22 -3.70 -0.17 0.00 0.66 0.00 0.00 57.16 53.73 2d1u n GLU 94 Cb 0.56 -1.69 -0.06 0.00 0.27 0.00 0.00 31.44 30.52 2d1u n GLU 94 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 2d1u n ASN 95 N 1.66 -0.70 -4.58 4.31 0.23 -1.26 -5.14 115.26 109.78 2d1u n ASN 95 Ca 0.25 -2.93 -0.39 0.00 -0.53 0.00 0.00 54.58 50.98 2d1u n ASN 95 Cb 0.47 1.58 0.04 0.00 -2.08 0.00 0.00 39.78 39.79 2d1u n ASN 95 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 2d1u n ASP 96 N -1.81 0.47 -4.31 0.53 5.68 -1.26 -5.00 116.55 110.85 2d1u n ASP 96 Ca 0.06 0.86 -0.30 0.00 -0.50 0.00 0.00 54.79 54.91 2d1u n ASP 96 Cb 0.54 -1.32 -0.16 0.00 -1.14 0.00 0.00 41.12 39.04 2d1u n ASP 96 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 2d1u s LEU 97 N -0.86 2.08 -0.07 -2.12 2.96 -1.26 -5.13 118.68 114.27 2d1u s LEU 97 Ca 0.70 -0.50 -0.10 0.00 -0.22 0.00 0.00 54.13 54.01 2d1u s LEU 97 Cb -0.47 -1.30 0.02 0.00 0.50 0.00 0.00 46.19 44.94 2d1u s LEU 97 CO 0.52 0.30 0.27 -0.70 -1.32 0.00 0.00 176.35 175.41 2d1u s GLU 98 N -0.79 0.41 0.23 1.98 2.56 -1.26 -5.17 118.70 116.66 2d1u s GLU 98 Ca 0.10 0.18 0.03 0.00 0.00 0.00 0.00 54.97 55.28 2d1u s GLU 98 Cb -0.10 0.19 -0.05 0.00 2.00 0.00 0.00 34.13 36.17 2d1u s GLU 98 CO -0.00 -0.07 0.02 -3.38 -0.56 0.00 0.00 175.26 171.27 2d1u s HIS 99 N -0.31 1.53 -0.27 5.30 -3.43 -1.26 -5.15 115.29 111.70 2d1u s HIS 99 Ca -0.04 -0.99 -0.05 0.00 -0.80 0.00 0.00 55.06 53.18 2d1u s HIS 99 Cb -0.03 -0.89 0.14 0.00 -1.43 0.00 0.00 32.58 30.37 2d1u s HIS 99 CO 0.01 -0.12 0.52 -1.01 -2.00 0.00 0.00 174.74 172.14 2d1u s HIS 100 N -3.51 -1.20 0.02 0.38 3.76 -1.26 -5.13 115.29 108.35 2d1u s HIS 100 Ca 0.30 1.61 -0.33 0.00 -0.15 0.00 0.00 55.06 56.49 2d1u s HIS 100 Cb 0.06 0.44 -0.11 0.00 1.11 0.00 0.00 32.58 34.08 2d1u s HIS 100 CO 0.09 -0.72 1.85 0.72 -0.85 0.00 0.00 174.74 175.84 2d1u n HIS 101 N 5.41 2.43 -4.12 1.40 8.25 -1.26 -4.98 115.22 122.36 2d1u n HIS 101 Ca -0.06 -0.09 -0.22 0.00 -0.26 0.00 0.00 57.72 57.09 2d1u n HIS 101 Cb 0.50 -2.70 -0.06 0.00 1.12 0.00 0.00 29.99 28.86 2d1u n HIS 101 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2d1u s HIS 102 N 3.44 2.83 0.35 4.41 2.46 -1.26 -5.15 115.29 122.38 2d1u s HIS 102 Ca 0.88 -0.26 0.05 0.00 0.47 0.00 0.00 55.06 56.20 2d1u s HIS 102 Cb -0.58 -1.47 -0.07 0.00 -0.13 0.00 0.00 32.58 30.33 2d1u s HIS 102 CO 0.44 0.45 0.05 -1.01 -2.47 0.00 0.00 174.74 172.19 2d1u s HIS 103 N -2.31 2.12 -2.00 3.88 3.76 -1.26 -5.36 115.29 114.13 2d1u s HIS 103 Ca 0.35 -0.88 0.27 0.00 -0.15 0.00 0.00 55.06 54.66 2d1u s HIS 103 Cb -0.05 -1.43 1.63 0.00 1.11 0.00 0.00 32.58 33.84 2d1u s HIS 103 CO 0.23 0.13 1.97 0.72 -0.85 0.00 0.00 174.74 176.95