#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 2.41 -3.79 0.00 -0.06 -1.26 -2.91 117.38 111.78 2d1u n GLN 2 Ca 0.00 0.88 -0.21 0.00 -2.00 0.00 0.00 57.00 55.67 2d1u n GLN 2 Cb 0.00 -2.76 -0.17 0.00 -4.06 0.00 0.00 30.24 23.25 2d1u n GLN 2 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 2d1u s VAL 3 N 3.95 0.23 -0.28 1.69 1.01 0.90 -4.91 120.40 122.99 2d1u s VAL 3 Ca 0.90 0.18 0.01 0.00 0.00 0.00 0.00 61.98 63.08 2d1u s VAL 3 Cb -0.61 -0.40 0.06 0.00 0.00 0.00 0.00 36.38 35.43 2d1u s VAL 3 CO 0.48 0.22 -0.06 0.54 0.00 0.00 0.00 175.10 176.27 2d1u s ASN 4 N 1.84 4.63 -0.04 3.32 2.20 -1.26 -2.71 114.94 122.91 2d1u s ASN 4 Ca 0.02 -1.36 0.07 0.00 -0.94 0.00 0.00 52.86 50.65 2d1u s ASN 4 Cb -0.12 -1.62 -0.01 0.00 -2.00 0.00 0.00 41.25 37.50 2d1u s ASN 4 CO -0.04 -0.22 -0.25 -0.63 -2.94 0.00 0.00 177.10 173.03 2d1u s ILE 5 N 1.16 1.99 -0.02 0.54 1.01 -0.42 -4.93 121.20 120.53 2d1u s ILE 5 Ca -0.07 -1.04 -0.22 0.00 0.00 0.00 0.00 60.65 59.32 2d1u s ILE 5 Cb -0.20 -1.67 -0.05 0.00 0.01 0.00 0.00 42.46 40.55 2d1u s ILE 5 CO -0.03 0.56 0.63 0.00 0.00 0.00 0.00 174.94 176.09 2d1u s ALA 6 N -0.29 3.43 1.00 9.38 0.00 -1.26 -2.63 121.76 131.39 2d1u s ALA 6 Ca 0.01 0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.03 2d1u s ALA 6 Cb -0.12 -2.82 0.00 0.00 0.00 0.00 0.00 23.12 20.18 2d1u s ALA 6 CO 0.02 0.07 0.00 -0.35 0.00 0.00 0.00 175.76 175.50 2d1u n PRO 7 N 3.07 0.14 0.00 0.00 -0.04 -1.26 -4.73 135.00 132.17 2d1u n PRO 7 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 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 1.06 0.00 0.55 0.00 -1.25 -4.97 105.19 103.01 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 -0.00 1.61 7.64 -1.26 -4.91 113.62 116.69 2d1u n SER 9 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.78 2d1u n SER 9 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 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 -0.18 -1.00 -3.43 6.46 -1.81 0.20 115.31 115.55 2d1u h LEU 10 Ca 0.00 0.05 0.09 0.00 -0.12 0.00 0.00 57.88 57.89 2d1u h LEU 10 Cb 0.00 0.10 -0.07 0.00 -0.73 0.00 0.00 40.66 39.96 2d1u h LEU 10 CO 0.00 -0.07 0.64 -0.78 -0.62 0.00 0.00 178.44 177.61 2d1u h ASP 11 N -0.04 0.99 0.33 1.25 3.58 -1.88 -1.17 116.42 119.48 2d1u h ASP 11 Ca 0.07 0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.53 2d1u h ASP 11 Cb 0.14 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.01 2d1u h ASP 11 CO -0.15 0.59 -0.16 0.11 -2.88 0.00 0.00 179.24 176.76 2d1u h LYS 12 N 1.10 -0.43 -0.70 0.28 1.57 -1.79 -2.80 116.57 113.80 2d1u h LYS 12 Ca 0.46 0.03 0.20 0.00 -1.87 0.00 0.00 60.65 59.47 2d1u h LYS 12 Cb 0.30 0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.68 2d1u h LYS 12 CO -0.21 -0.10 0.60 0.00 -0.57 0.00 0.00 179.45 179.16 2d1u h ALA 13 N -0.51 2.55 0.26 3.86 0.00 -0.40 -0.08 119.26 124.94 2d1u h ALA 13 Ca -0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2d1u h ALA 13 Cb 0.52 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2d1u h ALA 13 CO 0.07 -0.95 -0.13 1.25 0.00 0.00 0.00 179.25 179.49 2d1u h LEU 14 N 0.00 -0.30 -1.76 0.00 5.85 -1.12 -2.95 115.31 115.03 2d1u h LEU 14 Ca 0.33 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 2d1u h LEU 14 Cb 1.52 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.62 2d1u h LEU 14 CO -0.00 0.18 0.07 -0.55 -0.34 0.00 0.00 178.44 177.80 2d1u h ASN 15 N -0.90 0.19 0.59 1.25 7.08 -0.99 0.26 115.58 123.05 2d1u h ASN 15 Ca -0.04 -0.01 -0.03 0.00 -3.08 0.00 0.00 56.30 53.15 2d1u h ASN 15 Cb 0.50 -0.05 0.00 0.00 -2.08 0.00 0.00 38.32 36.70 2d1u h ASN 15 CO 0.06 0.18 -0.30 1.56 -2.08 0.00 0.00 177.43 176.85 2d1u h GLN 16 N 0.22 -0.78 -0.09 4.14 1.08 -1.08 0.38 115.11 118.98 2d1u h GLN 16 Ca 0.06 0.05 -0.20 0.00 -1.45 0.00 0.00 58.65 57.11 2d1u h GLN 16 Cb 0.04 0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 2d1u h GLN 16 CO -0.01 -0.52 -0.77 0.10 -0.95 0.00 0.00 178.83 176.68 2d1u h TYR 17 N -0.81 0.70 -0.22 2.96 -0.00 -1.32 -2.93 116.97 115.34 2d1u h TYR 17 Ca -0.08 -0.32 -0.01 0.00 0.00 0.00 0.00 58.73 58.32 2d1u h TYR 17 Cb 0.63 -0.10 -0.01 0.00 0.00 0.00 0.00 36.73 37.25 2d1u h TYR 17 CO -0.05 1.10 0.09 0.00 -0.00 0.00 0.00 178.16 179.30 2d1u h ALA 18 N 0.81 1.74 0.00 0.10 0.00 -0.42 -1.21 119.26 120.27 2d1u h ALA 18 Ca -0.04 -0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.63 2d1u h ALA 18 Cb 1.36 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 2d1u h ALA 18 CO 0.14 0.21 -0.81 0.00 0.00 0.00 0.00 179.25 178.79 2d1u h ALA 19 N 1.79 0.55 0.00 0.00 0.00 -0.86 -2.45 119.26 118.29 2d1u h ALA 19 Ca 0.08 -0.74 -0.11 0.00 0.00 0.00 0.00 54.91 54.13 2d1u h ALA 19 Cb 0.07 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2d1u h ALA 19 CO -0.01 1.02 -0.54 1.12 0.00 0.00 0.00 179.25 180.84 2d1u h HIS 20 N 0.00 0.00 0.00 0.00 2.07 -1.14 -3.36 115.15 112.72 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 1.54 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.52 2d1u h HIS 20 CO 0.00 0.54 -0.10 1.03 -3.07 0.00 0.00 177.93 176.33 2d1u h SER 21 N 0.00 0.00 0.00 3.10 0.87 -1.25 -3.50 113.55 112.77 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 0.35 0.00 0.61 -0.53 0.00 0.00 176.83 177.33 2d1u n GLY 22 N 1.80 1.90 3.59 5.77 0.00 -0.93 -5.05 105.19 112.27 2d1u n GLY 22 Ca -0.01 0.00 -0.27 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 2.39 0.08 1.61 -0.71 -1.25 -5.11 117.98 113.00 2d1u s PHE 23 Ca 0.00 -0.74 0.03 0.00 -1.04 0.00 0.00 56.93 55.18 2d1u s PHE 23 Cb 0.00 -1.68 -0.04 0.00 -1.21 0.00 0.00 43.02 40.09 2d1u s PHE 23 CO 0.00 0.35 0.08 0.99 -1.34 0.00 0.00 175.22 175.30 2d1u s THR 24 N -2.83 4.54 -0.00 -4.49 2.01 -0.87 -4.84 115.64 109.15 2d1u s THR 24 Ca 0.34 -0.77 0.00 0.00 0.31 0.00 0.00 61.69 61.58 2d1u s THR 24 Cb 0.09 -3.19 0.00 0.00 0.01 0.00 0.00 72.50 69.42 2d1u s THR 24 CO 0.17 0.12 -0.01 -0.22 -0.69 0.00 0.00 174.62 173.99 2d1u s LEU 25 N -2.41 1.91 -0.30 4.42 2.96 -1.26 -1.53 118.68 122.47 2d1u s LEU 25 Ca 0.29 -0.03 0.02 0.00 -0.22 0.00 0.00 54.13 54.20 2d1u s LEU 25 Cb -0.12 -0.09 0.09 0.00 0.50 0.00 0.00 46.19 46.57 2d1u s LEU 25 CO 0.22 0.01 0.03 -0.44 -1.32 0.00 0.00 176.35 174.85 2d1u s SER 26 N 0.07 4.34 -0.02 3.68 0.01 0.90 -4.91 113.70 117.78 2d1u s SER 26 Ca -0.00 -1.75 0.03 0.00 1.31 0.00 0.00 55.95 55.53 2d1u s SER 26 Cb -0.02 -1.31 -0.00 0.00 0.21 0.00 0.00 66.02 64.90 2d1u s SER 26 CO -0.00 -0.35 -0.10 0.54 0.41 0.00 0.00 173.24 173.74 2d1u s VAL 27 N 1.22 0.79 -0.59 3.43 0.11 -1.26 -4.14 120.40 119.96 2d1u s VAL 27 Ca 0.06 -0.40 -0.28 0.00 -2.93 0.00 0.00 61.98 58.43 2d1u s VAL 27 Cb -0.19 -0.68 -0.11 0.00 -1.53 0.00 0.00 36.38 33.88 2d1u s VAL 27 CO -0.12 0.23 2.47 0.47 -3.33 0.00 0.00 175.10 174.82 2d1u n ASP 28 N 3.02 1.87 0.15 3.54 8.00 -1.26 -4.76 116.55 127.11 2d1u n ASP 28 Ca -0.15 -0.28 0.13 0.00 0.71 0.00 0.00 54.79 55.20 2d1u n ASP 28 Cb 0.56 -1.42 0.47 0.00 -0.02 0.00 0.00 41.12 40.71 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 17.34 1.00 -0.57 2.24 0.00 -1.98 -3.21 119.26 134.07 2d1u h ALA 29 Ca -0.20 0.00 0.10 0.00 0.00 0.00 0.00 54.91 54.81 2d1u h ALA 29 Cb 1.28 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.99 2d1u h ALA 29 CO 1.20 0.00 0.12 0.77 0.00 0.00 0.00 179.25 181.33 2d1u h SER 30 N 0.00 -0.01 0.36 0.00 0.02 -1.94 0.17 113.55 112.16 2d1u h SER 30 Ca 0.00 0.11 -0.32 0.00 -0.84 0.00 0.00 61.79 60.73 2d1u h SER 30 Cb 0.53 0.15 0.01 0.00 0.14 0.00 0.00 62.40 63.22 2d1u h SER 30 CO 0.00 0.01 -1.55 -0.07 -1.14 0.00 0.00 176.83 174.08 2d1u h LEU 31 N 0.25 0.56 -0.32 5.07 4.07 -1.97 -3.35 115.31 119.62 2d1u h LEU 31 Ca 0.30 -0.72 0.05 0.00 0.08 0.00 0.00 57.88 57.58 2d1u h LEU 31 Cb 0.43 -0.18 -0.05 0.00 1.08 0.00 0.00 40.66 41.94 2d1u h LEU 31 CO -0.38 1.59 0.04 0.74 -1.08 0.00 0.00 178.44 179.35 2d1u h THR 32 N 0.10 0.81 -1.07 0.22 2.02 -1.46 -3.38 112.91 110.15 2d1u h THR 32 Ca -0.26 -0.05 -0.27 0.00 0.77 0.00 0.00 66.41 66.60 2d1u h THR 32 Cb 2.07 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 69.14 2d1u h THR 32 CO 0.20 0.03 0.93 -0.13 0.37 0.00 0.00 175.52 176.91 2d1u s ARG 33 N -6.18 1.89 0.00 6.66 1.81 0.55 -2.32 118.95 121.36 2d1u s ARG 33 Ca -0.13 0.98 0.00 0.00 -1.72 0.00 0.00 55.73 54.86 2d1u s ARG 33 Cb 0.12 -4.67 0.00 0.00 -0.45 0.00 0.00 34.95 29.95 2d1u s ARG 33 CO 0.70 -3.79 0.00 0.41 -0.68 0.00 0.00 175.30 171.95 2d1u n GLY 34 N 6.36 0.51 3.67 -3.53 0.00 -1.26 -4.98 105.19 105.96 2d1u n GLY 34 Ca 0.41 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.13 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 2.07 0.52 1.61 0.00 -0.98 -5.13 119.74 117.83 2d1u s LYS 35 Ca 0.00 -2.28 0.03 0.00 0.00 0.00 0.00 55.97 53.72 2d1u s LYS 35 Cb 0.00 -1.28 0.01 0.00 0.00 0.00 0.00 37.83 36.56 2d1u s LYS 35 CO 0.00 -0.34 0.18 1.14 0.00 0.00 0.00 175.35 176.33 2d1u s GLN 36 N -3.82 2.22 0.04 1.78 0.00 -1.26 -3.51 119.66 115.11 2d1u s GLN 36 Ca 0.16 -2.23 -0.10 0.00 -0.00 0.00 0.00 55.36 53.19 2d1u s GLN 36 Cb 0.03 -1.78 0.01 0.00 0.00 0.00 0.00 33.01 31.26 2d1u s GLN 36 CO 0.08 -0.47 0.21 0.45 0.00 0.00 0.00 175.29 175.56 2d1u s SER 37 N -4.06 0.01 -0.13 12.60 0.15 -1.26 -4.59 113.70 116.42 2d1u s SER 37 Ca 0.18 -0.35 -0.29 0.00 0.70 0.00 0.00 55.95 56.19 2d1u s SER 37 Cb -0.00 0.30 -0.02 0.00 -1.71 0.00 0.00 66.02 64.59 2d1u s SER 37 CO 0.11 -0.56 1.22 0.20 1.20 0.00 0.00 173.24 175.40 2d1u s ASN 38 N -2.08 7.00 1.07 5.45 -0.87 -1.18 -3.85 114.94 120.47 2d1u s ASN 38 Ca -0.05 1.70 -0.04 0.00 -1.57 0.00 0.00 52.86 52.90 2d1u s ASN 38 Cb -0.01 -2.55 0.06 0.00 -0.02 0.00 0.00 41.25 38.74 2d1u s ASN 38 CO -0.04 -0.69 0.16 0.61 -2.57 0.00 0.00 177.10 174.57 2d1u n GLY 39 N 3.49 -3.39 3.77 0.66 0.00 -1.26 -4.26 105.19 104.20 2d1u n GLY 39 Ca 0.13 -1.31 -0.23 0.00 0.00 0.00 0.00 46.02 44.61 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 3.65 -0.29 0.99 2.96 -1.08 -4.60 118.68 120.31 2d1u s LEU 40 Ca 0.12 -0.32 0.04 0.00 -0.22 0.00 0.00 54.13 53.75 2d1u s LEU 40 Cb -0.02 -2.21 0.20 0.00 0.50 0.00 0.00 46.19 44.66 2d1u s LEU 40 CO 0.09 0.00 0.62 -2.28 -1.32 0.00 0.00 176.35 173.46 2d1u s HIS 41 N -2.06 -1.76 -1.48 5.38 2.46 -1.10 -1.30 115.29 115.43 2d1u s HIS 41 Ca 0.32 1.12 0.00 0.00 0.47 0.00 0.00 55.06 56.96 2d1u s HIS 41 Cb -0.08 0.34 0.00 0.00 -0.13 0.00 0.00 32.58 32.70 2d1u s HIS 41 CO 0.23 -1.02 0.00 0.41 -2.47 0.00 0.00 174.74 171.89 2d1u n GLY 42 N 5.41 0.53 3.60 1.59 0.00 -1.10 -4.97 105.19 110.25 2d1u n GLY 42 Ca 0.04 -2.20 -0.41 0.00 0.00 0.00 0.00 46.02 43.46 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 -3.29 6.48 -0.17 1.61 -4.77 -1.26 -0.07 116.67 115.20 2d1u s ASP 43 Ca 0.00 0.45 -0.10 0.00 -3.30 0.00 0.00 52.55 49.60 2d1u s ASP 43 Cb 0.00 -2.32 0.06 0.00 -1.09 0.00 0.00 42.92 39.57 2d1u s ASP 43 CO 0.00 -0.43 0.42 -0.31 0.70 0.00 0.00 175.17 175.55 2d1u s TYR 44 N 2.53 -0.62 0.73 2.11 2.02 -1.14 -4.90 117.35 118.08 2d1u s TYR 44 Ca 0.24 1.32 -0.12 0.00 -0.37 0.00 0.00 57.07 58.14 2d1u s TYR 44 Cb -0.15 0.28 0.19 0.00 -0.40 0.00 0.00 41.96 41.88 2d1u s TYR 44 CO 0.11 -0.35 0.43 -0.25 -1.57 0.00 0.00 175.55 173.92 2d1u n ASP 45 N 4.25 -3.08 -0.10 2.29 8.00 -1.26 -4.13 116.55 122.51 2d1u n ASP 45 Ca -0.23 -0.43 -0.09 0.00 0.71 0.00 0.00 54.79 54.75 2d1u n ASP 45 Cb 0.55 -0.49 -0.01 0.00 -0.02 0.00 0.00 41.12 41.15 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 -2.82 1.11 0.10 2.53 3.04 -1.96 0.30 116.25 118.55 2d1u h VAL 46 Ca -0.19 -0.26 -0.01 0.00 -1.01 0.00 0.00 66.70 65.23 2d1u h VAL 46 Cb 0.65 0.69 0.00 0.00 -2.01 0.00 0.00 31.29 30.63 2d1u h VAL 46 CO 0.12 0.11 -0.05 -0.33 -1.01 0.00 0.00 177.57 176.41 2d1u h GLU 47 N 0.42 -0.14 -0.16 4.17 5.08 -1.99 -1.37 114.58 120.60 2d1u h GLU 47 Ca 0.12 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.53 2d1u h GLU 47 Cb 0.01 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 2d1u h GLU 47 CO -0.02 0.37 -0.11 1.03 -1.00 0.00 0.00 179.01 179.28 2d1u h SER 48 N -0.82 -0.34 -0.43 1.42 0.87 -1.88 -1.71 113.55 110.66 2d1u h SER 48 Ca -0.01 0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.59 2d1u h SER 48 Cb 0.57 0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.69 2d1u h SER 48 CO 0.02 -0.14 0.13 1.23 -0.53 0.00 0.00 176.83 177.55 2d1u h GLY 49 N -0.10 0.72 0.21 5.77 0.00 -0.51 -2.11 103.07 107.06 2d1u h GLY 49 Ca 0.10 -0.43 0.05 0.00 0.00 0.00 0.00 47.33 47.05 2d1u h GLY 49 CO -0.23 0.40 -0.26 -2.00 0.00 0.00 0.00 176.54 174.45 2d1u h LEU 50 N 0.56 -0.81 -1.95 3.11 5.85 -0.88 0.73 115.31 121.92 2d1u h LEU 50 Ca 0.14 0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.97 2d1u h LEU 50 Cb 0.27 0.36 -0.00 0.00 0.37 0.00 0.00 40.66 41.66 2d1u h LEU 50 CO -0.00 -0.30 -0.11 1.56 -0.34 0.00 0.00 178.44 179.24 2d1u h GLN 51 N -0.31 0.00 0.00 1.25 1.08 -1.27 -1.71 115.11 114.14 2d1u h GLN 51 Ca 0.11 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.20 2d1u h GLN 51 Cb 0.48 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.89 2d1u h GLN 51 CO -0.34 0.11 -0.52 1.96 -0.95 0.00 0.00 178.83 179.09 2d1u h GLN 52 N 0.00 0.00 0.12 1.46 1.08 -0.21 0.23 115.11 117.79 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 0.29 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.72 2d1u h GLN 52 CO 0.01 0.52 -0.06 -0.07 -0.95 0.00 0.00 178.83 178.29 2d1u h LEU 53 N 0.00 -0.13 -0.03 1.46 -0.00 -0.19 -3.24 115.31 113.18 2d1u h LEU 53 Ca -0.01 -0.42 0.00 0.00 -0.00 0.00 0.00 57.88 57.45 2d1u h LEU 53 Cb 1.08 0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.77 2d1u h LEU 53 CO 0.07 0.47 -0.01 0.00 -0.00 0.00 0.00 178.44 178.97 2d1u n LEU 54 N -4.87 0.05 -4.57 1.67 -0.00 -1.11 -3.13 117.00 105.05 2d1u n LEU 54 Ca -0.07 0.16 -0.57 0.00 -0.00 0.00 0.00 56.01 55.52 2d1u n LEU 54 Cb 0.27 -0.17 -0.08 0.00 -0.00 0.00 0.00 43.42 43.44 2d1u n LEU 54 CO 0.25 0.01 1.50 -0.67 -0.00 0.00 0.00 177.39 178.48 2d1u n ASP 55 N -1.14 1.91 0.00 1.45 -0.08 0.07 -3.03 116.55 115.72 2d1u n ASP 55 Ca 0.18 0.85 0.00 0.00 -1.51 0.00 0.00 54.79 54.31 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 5.35 0.59 0.34 0.27 0.00 -1.26 -4.71 105.19 105.77 2d1u n GLY 56 Ca 0.36 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.18 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 1.58 -0.66 1.61 3.41 -1.17 -5.10 113.62 113.30 2d1u n SER 57 Ca 0.00 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 2d1u n SER 57 Cb 0.00 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.42 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 1.90 0.21 3.38 5.00 0.00 -1.26 -5.14 105.19 109.27 2d1u n GLY 58 Ca -0.38 -0.46 -0.21 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.64 1.78 0.09 0.99 1.02 -1.26 -4.75 118.68 115.90 2d1u s LEU 59 Ca 0.00 -1.62 0.09 0.00 0.02 0.00 0.00 54.13 52.61 2d1u s LEU 59 Cb 0.00 0.17 -0.04 0.00 0.02 0.00 0.00 46.19 46.34 2d1u s LEU 59 CO 0.00 -0.93 -0.20 0.00 0.02 0.00 0.00 176.35 175.25 2d1u s GLN 60 N -3.72 1.83 0.01 1.70 1.03 -1.07 -4.96 119.66 114.48 2d1u s GLN 60 Ca 0.33 -1.13 0.05 0.00 0.04 0.00 0.00 55.36 54.66 2d1u s GLN 60 Cb 0.04 -2.10 -0.02 0.00 0.03 0.00 0.00 33.01 30.96 2d1u s GLN 60 CO 0.19 0.50 -0.17 0.08 -2.54 0.00 0.00 175.29 173.35 2d1u s VAL 61 N -1.04 1.33 -0.07 3.63 1.01 -1.26 -2.50 120.40 121.50 2d1u s VAL 61 Ca 0.16 -0.84 -0.12 0.00 0.00 0.00 0.00 61.98 61.18 2d1u s VAL 61 Cb -0.10 -1.13 0.03 0.00 0.00 0.00 0.00 36.38 35.17 2d1u s VAL 61 CO 0.07 0.28 0.30 -1.59 0.00 0.00 0.00 175.10 174.16 2d1u s LYS 62 N -0.66 0.48 0.79 2.72 0.00 -1.14 -4.97 119.74 116.96 2d1u s LYS 62 Ca 0.06 0.16 -0.11 0.00 0.00 0.00 0.00 55.97 56.08 2d1u s LYS 62 Cb -0.07 0.22 0.07 0.00 0.00 0.00 0.00 37.83 38.05 2d1u s LYS 62 CO 0.00 -0.10 1.09 -1.25 0.00 0.00 0.00 175.35 175.09 2d1u s PRO 63 N -0.47 2.10 0.10 1.78 0.04 -1.26 -2.32 135.00 134.97 2d1u s PRO 63 Ca -0.06 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.10 2d1u s PRO 63 Cb -0.04 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.62 2d1u s PRO 63 CO 0.02 -1.74 0.00 1.28 0.04 0.00 0.00 177.00 176.60 2d1u n LEU 64 N -3.58 0.45 0.00 -3.56 4.77 0.27 -4.91 117.00 110.43 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 0.53 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 2d1u n LEU 64 CO 0.54 -0.67 0.00 0.61 -1.33 0.00 0.00 177.39 176.54 2d1u n GLY 65 N 2.87 1.98 3.56 -0.72 0.00 -1.25 -4.96 105.19 106.66 2d1u n GLY 65 Ca 0.00 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 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 6.08 -0.57 1.61 2.47 -1.26 -4.06 114.94 120.22 2d1u s ASN 66 Ca 0.00 -1.01 0.00 0.00 0.42 0.00 0.00 52.86 52.27 2d1u s ASN 66 Cb 0.00 -2.56 0.00 0.00 -1.45 0.00 0.00 41.25 37.24 2d1u s ASN 66 CO 0.00 -1.88 0.00 -3.20 -3.72 0.00 0.00 177.10 168.30 2d1u n ASN 67 N 10.28 -2.49 -4.53 -4.21 4.05 -1.26 -4.58 115.26 112.52 2d1u n ASN 67 Ca 0.29 0.33 -0.42 0.00 0.45 0.00 0.00 54.58 55.23 2d1u n ASN 67 Cb 0.50 -2.21 -0.09 0.00 1.23 0.00 0.00 39.78 39.21 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 -1.99 6.23 0.09 1.20 1.04 -1.25 -2.04 113.70 116.97 2d1u s SER 68 Ca 0.00 -0.31 0.04 0.00 0.48 0.00 0.00 55.95 56.16 2d1u s SER 68 Cb 0.00 -2.23 -0.04 0.00 0.10 0.00 0.00 66.02 63.85 2d1u s SER 68 CO 0.00 -0.47 0.04 0.26 0.98 0.00 0.00 173.24 174.05 2d1u s TRP 69 N 2.19 3.09 0.04 5.02 0.52 -0.58 0.94 118.94 130.17 2d1u s TRP 69 Ca 0.14 0.02 0.02 0.00 0.02 0.00 0.00 56.10 56.31 2d1u s TRP 69 Cb -0.16 -1.57 -0.02 0.00 -1.15 0.00 0.00 33.47 30.56 2d1u s TRP 69 CO 0.13 0.50 -0.08 -0.08 0.02 0.00 0.00 176.95 177.44 2d1u s THR 70 N -1.38 0.55 -0.06 2.01 -1.32 -0.98 -0.07 115.64 114.40 2d1u s THR 70 Ca 0.28 -1.12 -0.04 0.00 -1.21 0.00 0.00 61.69 59.60 2d1u s THR 70 Cb -0.12 -0.66 -0.04 0.00 -1.51 0.00 0.00 72.50 70.17 2d1u s THR 70 CO 0.20 -0.40 0.13 -0.76 -2.21 0.00 0.00 174.62 171.58 2d1u s LEU 71 N -1.65 4.22 0.10 9.08 2.01 -1.26 -2.91 118.68 128.28 2d1u s LEU 71 Ca -0.09 0.34 -0.25 0.00 0.01 0.00 0.00 54.13 54.13 2d1u s LEU 71 Cb -0.09 -2.28 0.07 0.00 0.01 0.00 0.00 46.19 43.90 2d1u s LEU 71 CO 0.00 0.33 0.63 -1.83 1.01 0.00 0.00 176.35 176.49 2d1u s GLU 72 N -1.47 1.21 0.09 1.70 -1.05 -1.04 -4.87 118.70 113.26 2d1u s GLU 72 Ca 0.21 -0.29 -0.31 0.00 -0.15 0.00 0.00 54.97 54.43 2d1u s GLU 72 Cb -0.12 0.56 -0.07 0.00 -0.44 0.00 0.00 34.13 34.06 2d1u s GLU 72 CO 0.11 -0.50 1.38 -1.25 0.95 0.00 0.00 175.26 175.95 2d1u s PRO 73 N -3.11 4.32 0.39 -4.83 0.04 -1.26 -2.58 135.00 127.97 2d1u s PRO 73 Ca -0.02 2.03 -0.14 0.00 0.04 0.00 0.00 61.00 62.91 2d1u s PRO 73 Cb -0.01 -3.32 -0.08 0.00 0.04 0.00 0.00 34.50 31.13 2d1u s PRO 73 CO -0.07 -0.45 0.81 0.00 0.04 0.00 0.00 177.00 177.33 2d1u s ALA 74 N 1.37 3.25 0.63 8.56 0.00 -1.26 -4.92 121.76 129.40 2d1u s ALA 74 Ca 0.64 0.03 -0.16 0.00 0.00 0.00 0.00 51.96 52.47 2d1u s ALA 74 Cb -0.35 -2.85 -0.01 0.00 0.00 0.00 0.00 23.12 19.91 2d1u s ALA 74 CO 0.30 0.10 1.11 -1.25 0.00 0.00 0.00 175.76 176.02 2d1u s PRO 75 N -3.47 2.92 0.96 0.00 0.04 -1.26 -4.99 135.00 129.20 2d1u s PRO 75 Ca 0.55 1.44 -0.13 0.00 0.04 0.00 0.00 61.00 62.89 2d1u s PRO 75 Cb -0.10 -1.96 0.03 0.00 0.04 0.00 0.00 34.50 32.50 2d1u s PRO 75 CO 0.24 -1.16 0.31 0.00 0.04 0.00 0.00 177.00 176.43 2d1u n ALA 76 N -2.17 -2.85 -1.18 8.56 0.00 -1.26 -4.96 120.51 116.64 2d1u n ALA 76 Ca 0.11 -0.64 -0.29 0.00 0.00 0.00 0.00 53.44 52.62 2d1u n ALA 76 Cb 0.52 -1.74 0.16 0.00 0.00 0.00 0.00 19.45 18.38 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 -3.52 0.78 -0.90 0.00 0.04 -1.26 -4.98 135.00 125.16 2d1u s PRO 77 Ca 0.56 0.66 -0.13 0.00 0.04 0.00 0.00 61.00 62.12 2d1u s PRO 77 Cb -0.21 -1.77 0.22 0.00 0.04 0.00 0.00 34.50 32.79 2d1u s PRO 77 CO 0.68 -2.53 0.87 0.21 0.04 0.00 0.00 177.00 176.28 2d1u s LYS 78 N -4.95 3.74 -0.23 4.56 2.47 -1.26 -5.02 119.74 119.05 2d1u s LYS 78 Ca 0.64 -2.58 -0.33 0.00 -1.56 0.00 0.00 55.97 52.14 2d1u s LYS 78 Cb -0.18 -4.50 -0.10 0.00 -1.46 0.00 0.00 37.83 31.59 2d1u s LYS 78 CO 0.57 -1.32 2.08 -1.91 0.16 0.00 0.00 175.35 174.93 2d1u n GLU 79 N 3.91 1.64 -4.21 4.03 2.13 -1.26 -4.93 120.64 121.95 2d1u n GLU 79 Ca 0.17 0.52 -0.12 0.00 0.66 0.00 0.00 57.16 58.39 2d1u n GLU 79 Cb 0.45 -2.69 -0.10 0.00 0.27 0.00 0.00 31.44 29.38 2d1u n GLU 79 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2d1u s ASP 80 N 6.36 0.76 -0.41 4.31 1.01 -1.26 -5.13 116.67 122.32 2d1u s ASP 80 Ca 1.02 -1.22 -0.05 0.00 0.71 0.00 0.00 52.55 53.00 2d1u s ASP 80 Cb -0.69 0.21 0.10 0.00 1.01 0.00 0.00 42.92 43.55 2d1u s ASP 80 CO 0.47 -0.67 0.21 0.00 0.21 0.00 0.00 175.17 175.40 2d1u s ALA 81 N -3.86 3.18 0.02 5.23 0.00 -1.26 -5.09 121.76 119.97 2d1u s ALA 81 Ca 0.26 -2.37 -0.03 0.00 0.00 0.00 0.00 51.96 49.83 2d1u s ALA 81 Cb 0.07 -2.47 -0.04 0.00 0.00 0.00 0.00 23.12 20.68 2d1u s ALA 81 CO 0.05 -1.72 0.21 -0.51 0.00 0.00 0.00 175.76 173.78 2d1u s LEU 82 N 1.24 4.36 1.20 0.00 2.01 -1.26 -5.09 118.68 121.15 2d1u s LEU 82 Ca 0.05 0.36 -0.15 0.00 0.01 0.00 0.00 54.13 54.41 2d1u s LEU 82 Cb -0.23 -2.74 0.27 0.00 0.01 0.00 0.00 46.19 43.51 2d1u s LEU 82 CO -0.02 0.23 0.79 0.35 1.01 0.00 0.00 176.35 178.71 2d1u n THR 83 N 0.77 0.00 -4.39 5.49 -2.24 -1.26 -5.05 114.28 107.61 2d1u n THR 83 Ca -0.09 -0.44 -0.20 0.00 -2.27 0.00 0.00 64.05 61.05 2d1u n THR 83 Cb 0.52 -0.92 -0.14 0.00 -2.10 0.00 0.00 70.33 67.70 2d1u n THR 83 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2d1u s VAL 84 N -2.34 1.05 0.48 2.28 -7.23 -1.26 -5.16 120.40 108.22 2d1u s VAL 84 Ca 0.66 -0.88 0.08 0.00 -1.81 0.00 0.00 61.98 60.03 2d1u s VAL 84 Cb -0.23 -0.94 0.02 0.00 0.56 0.00 0.00 36.38 35.80 2d1u s VAL 84 CO 0.66 0.06 0.52 0.68 -0.31 0.00 0.00 175.10 176.70 2d1u s VAL 85 N -0.73 2.39 0.06 1.32 -7.23 -1.26 -5.13 120.40 109.82 2d1u s VAL 85 Ca 0.02 -1.22 -0.15 0.00 -1.81 0.00 0.00 61.98 58.82 2d1u s VAL 85 Cb -0.07 -2.62 0.05 0.00 0.56 0.00 0.00 36.38 34.30 2d1u s VAL 85 CO 0.01 0.00 0.68 0.61 -0.31 0.00 0.00 175.10 176.09 2d1u n GLY 86 N -1.82 0.68 3.34 2.32 0.00 -1.26 -5.19 105.19 103.26 2d1u n GLY 86 Ca 0.06 -1.02 -0.11 0.00 0.00 0.00 0.00 46.02 44.95 2d1u n GLY 86 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2d1u s ASP 87 N -2.57 0.09 0.00 1.61 1.01 -1.26 -5.18 116.67 110.38 2d1u s ASP 87 Ca 0.16 -1.24 -0.13 0.00 0.71 0.00 0.00 52.55 52.04 2d1u s ASP 87 Cb -0.01 0.46 0.02 0.00 1.01 0.00 0.00 42.92 44.39 2d1u s ASP 87 CO 0.02 -0.95 0.28 0.86 0.21 0.00 0.00 175.17 175.59 2d1u s TRP 88 N -4.09 -0.12 -0.21 4.23 -0.00 -1.26 -5.14 118.94 112.34 2d1u s TRP 88 Ca 0.33 0.13 -0.03 0.00 -0.00 0.00 0.00 56.10 56.53 2d1u s TRP 88 Cb 0.04 0.07 0.07 0.00 -0.00 0.00 0.00 33.47 33.65 2d1u s TRP 88 CO 0.11 -0.40 0.05 -1.17 -0.00 0.00 0.00 176.95 175.54 2d1u s LEU 89 N -1.52 1.17 0.04 5.86 1.98 -1.26 -5.13 118.68 119.81 2d1u s LEU 89 Ca -0.12 -0.90 -0.08 0.00 -2.89 0.00 0.00 54.13 50.15 2d1u s LEU 89 Cb -0.04 -0.58 -0.05 0.00 0.66 0.00 0.00 46.19 46.18 2d1u s LEU 89 CO 0.02 -0.33 0.32 -0.83 -1.89 0.00 0.00 176.35 173.64 2d1u s GLY 90 N 1.87 2.29 -0.84 7.98 0.00 -1.26 -5.01 107.32 112.35 2d1u s GLY 90 Ca 0.01 -0.50 -0.02 0.00 0.00 0.00 0.00 44.72 44.21 2d1u s GLY 90 CO -0.11 -0.31 2.01 1.22 0.00 0.00 0.00 173.10 175.92 2d1u n ASP 91 N 1.03 7.49 -4.90 1.64 8.00 -1.26 -5.00 116.55 123.56 2d1u n ASP 91 Ca -0.10 -3.84 -0.28 0.00 0.71 0.00 0.00 54.79 51.28 2d1u n ASP 91 Cb 0.53 -1.06 -0.01 0.00 -0.02 0.00 0.00 41.12 40.56 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 -4.07 3.39 -1.40 2.24 0.00 -1.26 -4.19 121.76 116.47 2d1u s ALA 92 Ca 0.52 -0.40 -0.09 0.00 0.00 0.00 0.00 51.96 51.99 2d1u s ALA 92 Cb 0.44 -2.61 0.04 0.00 0.00 0.00 0.00 23.12 20.98 2d1u s ALA 92 CO -0.41 -0.20 1.04 0.54 0.00 0.00 0.00 175.76 176.72 2d1u n ARG 93 N -1.86 -6.61 -2.37 0.00 1.74 -1.26 -4.97 116.66 101.33 2d1u n ARG 93 Ca 0.01 0.72 -0.30 0.00 -0.77 0.00 0.00 57.85 57.51 2d1u n ARG 93 Cb 0.55 -5.66 -0.01 0.00 -1.02 0.00 0.00 32.46 26.31 2d1u n ARG 93 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2d1u s GLU 94 N -6.29 3.69 0.45 5.56 2.12 -1.26 -5.01 118.70 117.96 2d1u s GLU 94 Ca 0.49 0.60 -0.24 0.00 0.36 0.00 0.00 54.97 56.18 2d1u s GLU 94 Cb -0.23 -2.23 -0.09 0.00 0.26 0.00 0.00 34.13 31.84 2d1u s GLU 94 CO 0.78 -0.31 1.18 0.27 -0.54 0.00 0.00 175.26 176.64 2d1u n ASN 95 N -2.09 2.08 -4.71 -1.70 0.23 -1.26 -5.01 115.26 102.79 2d1u n ASN 95 Ca 0.04 1.05 -0.24 0.00 -0.53 0.00 0.00 54.58 54.90 2d1u n ASN 95 Cb 0.54 -1.46 -0.07 0.00 -2.08 0.00 0.00 39.78 36.71 2d1u n ASN 95 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2d1u s ASP 96 N -0.68 4.43 0.41 0.53 2.15 -1.26 -5.15 116.67 117.10 2d1u s ASP 96 Ca 0.64 -0.98 0.08 0.00 0.43 0.00 0.00 52.55 52.71 2d1u s ASP 96 Cb -0.51 -0.55 0.00 0.00 -0.30 0.00 0.00 42.92 41.57 2d1u s ASP 96 CO 0.56 -0.41 0.53 -0.76 -0.17 0.00 0.00 175.17 174.92 2d1u s LEU 97 N -3.85 3.64 0.25 -1.34 1.02 -1.26 -5.13 118.68 112.01 2d1u s LEU 97 Ca 0.39 -0.45 0.10 0.00 0.02 0.00 0.00 54.13 54.18 2d1u s LEU 97 Cb 0.01 -2.57 -0.04 0.00 0.02 0.00 0.00 46.19 43.61 2d1u s LEU 97 CO 0.22 -0.72 -0.08 -0.70 0.02 0.00 0.00 176.35 175.09 2d1u s GLU 98 N -4.30 2.07 0.58 1.70 2.56 -1.26 -5.15 118.70 114.91 2d1u s GLU 98 Ca 0.53 -1.46 0.06 0.00 0.00 0.00 0.00 54.97 54.10 2d1u s GLU 98 Cb -0.09 -2.06 0.08 0.00 2.00 0.00 0.00 34.13 34.05 2d1u s GLU 98 CO 0.32 0.38 0.80 -1.01 -0.56 0.00 0.00 175.26 175.19 2d1u s HIS 99 N -2.19 1.88 0.11 5.30 3.76 -1.26 -5.11 115.29 117.78 2d1u s HIS 99 Ca 0.29 -0.47 0.01 0.00 -0.15 0.00 0.00 55.06 54.74 2d1u s HIS 99 Cb -0.07 -2.51 -0.04 0.00 1.11 0.00 0.00 32.58 31.07 2d1u s HIS 99 CO 0.17 -1.13 0.26 -1.01 -0.85 0.00 0.00 174.74 172.18 2d1u s HIS 100 N -2.74 3.50 0.65 1.40 3.76 -1.26 -5.12 115.29 115.48 2d1u s HIS 100 Ca 0.61 0.23 0.05 0.00 -0.15 0.00 0.00 55.06 55.80 2d1u s HIS 100 Cb -0.07 -1.75 0.11 0.00 1.11 0.00 0.00 32.58 31.98 2d1u s HIS 100 CO 0.39 0.54 0.89 -1.01 -0.85 0.00 0.00 174.74 174.70 2d1u s HIS 101 N -1.63 1.43 0.10 1.40 3.76 -1.26 -5.13 115.29 113.95 2d1u s HIS 101 Ca 0.35 -0.53 0.05 0.00 -0.15 0.00 0.00 55.06 54.78 2d1u s HIS 101 Cb -0.12 -2.58 -0.03 0.00 1.11 0.00 0.00 32.58 30.96 2d1u s HIS 101 CO 0.28 -1.44 -0.13 -1.01 -0.85 0.00 0.00 174.74 171.59 2d1u s HIS 102 N -2.90 1.25 -0.25 1.40 3.76 -1.26 -5.06 115.29 112.23 2d1u s HIS 102 Ca 0.64 -0.55 -0.03 0.00 -0.15 0.00 0.00 55.06 54.98 2d1u s HIS 102 Cb -0.05 -0.68 -0.17 0.00 1.11 0.00 0.00 32.58 32.79 2d1u s HIS 102 CO 0.42 0.08 -0.20 1.58 -0.85 0.00 0.00 174.74 175.77 2d1u n HIS 103 N 0.79 0.14 0.03 1.40 -0.00 -1.26 -5.37 115.22 110.96 2d1u n HIS 103 Ca -0.18 0.04 0.00 0.00 0.46 0.00 0.00 57.72 58.04 2d1u n HIS 103 Cb 0.56 -1.02 0.01 0.00 -0.12 0.00 0.00 29.99 29.43 2d1u n HIS 103 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52