#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 2.78 -3.82 0.00 -0.06 -1.26 -2.79 117.38 112.23 2d1u n GLN 2 Ca 0.00 1.02 -0.21 0.00 -2.00 0.00 0.00 57.00 55.81 2d1u n GLN 2 Cb 0.00 -2.95 -0.17 0.00 -4.06 0.00 0.00 30.24 23.06 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 4.13 0.28 -0.26 1.69 1.01 0.88 -4.92 120.40 123.21 2d1u s VAL 3 Ca 0.88 0.14 0.01 0.00 0.00 0.00 0.00 61.98 63.01 2d1u s VAL 3 Cb -0.47 -0.43 0.05 0.00 0.00 0.00 0.00 36.38 35.53 2d1u s VAL 3 CO 0.42 0.22 -0.09 0.54 0.00 0.00 0.00 175.10 176.20 2d1u s ASN 4 N 1.72 4.37 -0.04 3.32 4.22 -1.26 -2.73 114.94 124.54 2d1u s ASN 4 Ca 0.01 -1.21 0.06 0.00 -2.14 0.00 0.00 52.86 49.57 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 -0.17 -0.23 -0.63 -2.04 0.00 0.00 177.10 173.99 2d1u s ILE 5 N 1.18 1.84 -0.04 0.54 1.01 -0.38 -4.93 121.20 120.42 2d1u s ILE 5 Ca -0.05 -0.97 -0.22 0.00 0.00 0.00 0.00 60.65 59.41 2d1u s ILE 5 Cb -0.19 -1.55 -0.05 0.00 0.01 0.00 0.00 42.46 40.69 2d1u s ILE 5 CO -0.05 0.52 0.63 0.00 0.00 0.00 0.00 174.94 176.04 2d1u s ALA 6 N -0.29 3.42 1.00 9.38 0.00 -1.26 -2.75 121.76 131.26 2d1u s ALA 6 Ca 0.02 0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.04 2d1u s ALA 6 Cb -0.11 -2.83 0.00 0.00 0.00 0.00 0.00 23.12 20.18 2d1u s ALA 6 CO 0.01 0.03 0.00 -0.35 0.00 0.00 0.00 175.76 175.46 2d1u n PRO 7 N 3.26 0.36 0.00 0.00 -0.04 -1.26 -4.76 135.00 132.55 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 2.44 0.88 0.00 0.55 0.00 -1.25 -4.97 105.19 102.84 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 -0.11 1.61 7.64 -1.26 -4.93 113.62 116.57 2d1u n SER 9 Ca 0.00 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.81 2d1u n SER 9 Cb 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.21 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 0.27 -0.37 -3.43 6.46 -1.79 0.23 115.31 116.68 2d1u h LEU 10 Ca 0.00 0.02 0.05 0.00 -0.12 0.00 0.00 57.88 57.83 2d1u h LEU 10 Cb 0.00 -0.03 -0.05 0.00 -0.73 0.00 0.00 40.66 39.85 2d1u h LEU 10 CO 0.00 0.20 0.10 -0.78 -0.62 0.00 0.00 178.44 177.34 2d1u h ASP 11 N 0.37 0.07 -0.08 1.25 3.58 -1.91 -0.96 116.42 118.74 2d1u h ASP 11 Ca 0.15 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.64 2d1u h ASP 11 Cb 0.06 0.06 -0.00 0.00 1.72 0.00 0.00 39.33 41.16 2d1u h ASP 11 CO -0.10 0.08 0.00 0.50 -2.88 0.00 0.00 179.24 176.83 2d1u h LYS 12 N 0.24 0.13 -0.45 0.28 3.64 -1.88 -2.72 116.57 115.81 2d1u h LYS 12 Ca 0.17 -0.04 0.13 0.00 -1.27 0.00 0.00 60.65 59.64 2d1u h LYS 12 Cb 0.18 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 2d1u h LYS 12 CO -0.20 0.40 0.38 0.00 -2.27 0.00 0.00 179.45 177.75 2d1u h ALA 13 N 0.73 2.30 0.25 5.00 0.00 -0.26 -0.31 119.26 126.96 2d1u h ALA 13 Ca 0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2d1u h ALA 13 Cb 0.34 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2d1u h ALA 13 CO 0.00 -0.61 -0.12 1.25 0.00 0.00 0.00 179.25 179.77 2d1u h LEU 14 N 0.00 -0.28 -1.82 0.00 5.85 -0.88 -2.99 115.31 115.19 2d1u h LEU 14 Ca 0.22 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2d1u h LEU 14 Cb 0.97 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 2d1u h LEU 14 CO -0.00 0.21 0.13 -0.55 -0.34 0.00 0.00 178.44 177.89 2d1u h ASN 15 N -0.92 0.21 0.58 1.25 7.08 -1.15 0.30 115.58 122.93 2d1u h ASN 15 Ca -0.03 -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 36.69 2d1u h ASN 15 CO 0.06 0.15 -0.30 1.56 -2.08 0.00 0.00 177.43 176.82 2d1u h GLN 16 N 0.25 -0.78 -0.06 4.14 1.08 -1.10 -0.54 115.11 118.11 2d1u h GLN 16 Ca 0.07 0.05 -0.19 0.00 -1.45 0.00 0.00 58.65 57.13 2d1u h GLN 16 Cb -0.02 0.18 -0.00 0.00 -0.05 0.00 0.00 27.48 27.59 2d1u h GLN 16 CO -0.02 -0.52 -0.77 0.10 -0.95 0.00 0.00 178.83 176.67 2d1u h TYR 17 N -0.81 0.52 -0.28 2.96 -0.00 -1.34 -3.09 116.97 114.93 2d1u h TYR 17 Ca -0.08 -0.24 -0.00 0.00 0.00 0.00 0.00 58.73 58.41 2d1u h TYR 17 Cb 0.63 -0.08 -0.01 0.00 0.00 0.00 0.00 36.73 37.27 2d1u h TYR 17 CO -0.05 1.01 0.17 0.00 -0.00 0.00 0.00 178.16 179.29 2d1u h ALA 18 N 0.92 1.76 0.00 0.10 0.00 -0.34 -0.79 119.26 120.91 2d1u h ALA 18 Ca -0.04 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.66 2d1u h ALA 18 Cb 1.36 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 2d1u h ALA 18 CO 0.13 0.21 -0.82 0.00 0.00 0.00 0.00 179.25 178.77 2d1u h ALA 19 N 1.79 0.64 0.00 0.00 0.00 -1.03 -2.13 119.26 118.53 2d1u h ALA 19 Ca 0.10 -0.74 -0.12 0.00 0.00 0.00 0.00 54.91 54.16 2d1u h ALA 19 Cb -0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2d1u h ALA 19 CO -0.02 1.00 -0.58 1.12 0.00 0.00 0.00 179.25 180.78 2d1u h HIS 20 N 0.02 0.00 0.00 0.00 2.07 -1.22 -3.35 115.15 112.66 2d1u h HIS 20 Ca -0.01 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.50 2d1u h HIS 20 Cb 1.45 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.43 2d1u h HIS 20 CO 0.00 0.58 -0.11 0.77 -3.07 0.00 0.00 177.93 176.10 2d1u h SER 21 N 0.00 0.00 0.00 3.10 0.02 -1.15 -3.50 113.55 112.02 2d1u h SER 21 Ca -0.01 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 2d1u h SER 21 Cb 1.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.85 2d1u h SER 21 CO 0.07 0.62 0.00 0.61 -1.14 0.00 0.00 176.83 177.00 2d1u n GLY 22 N 1.73 1.77 3.51 -3.77 0.00 -0.81 -5.00 105.19 102.61 2d1u n GLY 22 Ca -0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 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 2.10 0.05 1.61 -0.71 -1.25 -5.11 117.98 112.68 2d1u s PHE 23 Ca 0.00 -0.90 0.02 0.00 -1.04 0.00 0.00 56.93 55.01 2d1u s PHE 23 Cb 0.00 -1.42 -0.04 0.00 -1.21 0.00 0.00 43.02 40.35 2d1u s PHE 23 CO 0.00 0.12 0.07 0.99 -1.34 0.00 0.00 175.22 175.05 2d1u s THR 24 N -3.13 4.52 -0.01 -4.49 2.01 -1.09 -4.85 115.64 108.60 2d1u s THR 24 Ca 0.35 -0.68 0.00 0.00 0.31 0.00 0.00 61.69 61.67 2d1u s THR 24 Cb 0.09 -3.14 0.01 0.00 0.01 0.00 0.00 72.50 69.47 2d1u s THR 24 CO 0.16 0.20 -0.01 -0.22 -0.69 0.00 0.00 174.62 174.06 2d1u s LEU 25 N -2.17 1.59 -0.34 4.42 2.96 -1.26 -1.57 118.68 122.31 2d1u s LEU 25 Ca 0.27 -0.02 0.01 0.00 -0.22 0.00 0.00 54.13 54.17 2d1u s LEU 25 Cb -0.12 -0.13 0.09 0.00 0.50 0.00 0.00 46.19 46.52 2d1u s LEU 25 CO 0.19 -0.04 0.05 -0.55 -1.32 0.00 0.00 176.35 174.68 2d1u s SER 26 N 0.47 4.85 -0.01 3.68 0.15 0.43 -4.93 113.70 118.33 2d1u s SER 26 Ca -0.04 -1.88 0.03 0.00 0.70 0.00 0.00 55.95 54.76 2d1u s SER 26 Cb -0.07 -1.67 -0.00 0.00 -1.71 0.00 0.00 66.02 62.56 2d1u s SER 26 CO -0.01 -0.37 -0.10 0.54 1.20 0.00 0.00 173.24 174.50 2d1u s VAL 27 N 1.04 0.80 -0.66 4.45 0.11 -1.26 -4.10 120.40 120.77 2d1u s VAL 27 Ca 0.05 -0.41 -0.26 0.00 -2.93 0.00 0.00 61.98 58.43 2d1u s VAL 27 Cb -0.20 -0.68 -0.09 0.00 -1.53 0.00 0.00 36.38 33.87 2d1u s VAL 27 CO -0.06 0.23 2.34 -1.81 -3.33 0.00 0.00 175.10 172.48 2d1u s ASP 28 N -0.08 4.29 0.23 3.54 1.01 -1.26 -4.75 116.67 119.65 2d1u s ASP 28 Ca 0.01 0.45 0.25 0.00 0.71 0.00 0.00 52.55 53.97 2d1u s ASP 28 Cb -0.06 -2.53 0.91 0.00 1.01 0.00 0.00 42.92 42.25 2d1u s ASP 28 CO -0.00 -3.29 1.74 0.00 0.21 0.00 0.00 175.17 173.83 2d1u n ALA 29 N 16.82 1.95 -0.10 5.23 0.00 -1.26 -3.13 120.51 140.02 2d1u n ALA 29 Ca 0.40 0.03 -0.06 0.00 0.00 0.00 0.00 53.44 53.82 2d1u n ALA 29 Cb 0.49 -1.42 0.01 0.00 0.00 0.00 0.00 19.45 18.53 2d1u n ALA 29 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2d1u h SER 30 N 0.00 -0.20 0.20 0.00 0.02 -1.94 0.29 113.55 111.92 2d1u h SER 30 Ca 0.00 0.09 -0.35 0.00 -0.84 0.00 0.00 61.79 60.69 2d1u h SER 30 Cb 0.53 0.16 0.01 0.00 0.14 0.00 0.00 62.40 63.25 2d1u h SER 30 CO 0.00 -0.06 -1.70 -0.07 -1.14 0.00 0.00 176.83 173.86 2d1u h LEU 31 N 0.06 0.65 -0.73 5.07 4.07 -1.98 -3.35 115.31 119.11 2d1u h LEU 31 Ca 0.17 -0.94 0.07 0.00 0.08 0.00 0.00 57.88 57.26 2d1u h LEU 31 Cb 0.24 -0.21 -0.06 0.00 1.08 0.00 0.00 40.66 41.70 2d1u h LEU 31 CO -0.30 1.77 0.41 0.74 -1.08 0.00 0.00 178.44 179.98 2d1u h THR 32 N 0.10 0.94 -2.12 0.22 2.02 -1.47 -3.43 112.91 109.18 2d1u h THR 32 Ca -0.33 -0.25 -0.63 0.00 0.77 0.00 0.00 66.41 65.97 2d1u h THR 32 Cb 2.10 0.15 0.08 0.00 -1.74 0.00 0.00 68.15 68.74 2d1u h THR 32 CO 0.19 0.13 0.41 -2.11 0.37 0.00 0.00 175.52 174.51 2d1u n ARG 33 N -4.77 1.44 0.00 6.66 -4.01 0.10 -2.17 116.66 113.90 2d1u n ARG 33 Ca 0.10 0.51 0.00 0.00 -1.04 0.00 0.00 57.85 57.43 2d1u n ARG 33 Cb 0.21 -2.08 0.00 0.00 -3.04 0.00 0.00 32.46 27.55 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 2.18 2.57 3.95 2.89 0.00 -1.26 -5.00 105.19 110.53 2d1u n GLY 34 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 2d1u n GLY 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2d1u s LYS 35 N -0.37 2.38 0.50 1.61 3.01 -0.92 -5.09 119.74 120.85 2d1u s LYS 35 Ca 0.00 -1.72 0.01 0.00 -1.01 0.00 0.00 55.97 53.25 2d1u s LYS 35 Cb 0.00 -2.40 -0.01 0.00 -1.01 0.00 0.00 37.83 34.40 2d1u s LYS 35 CO 0.00 -0.59 0.03 1.14 0.51 0.00 0.00 175.35 176.44 2d1u s GLN 36 N -4.39 2.16 -0.10 1.68 -2.07 -1.26 -3.34 119.66 112.34 2d1u s GLN 36 Ca 0.48 -2.38 -0.26 0.00 -1.82 0.00 0.00 55.36 51.39 2d1u s GLN 36 Cb -0.04 -1.35 0.06 0.00 -1.09 0.00 0.00 33.01 30.58 2d1u s GLN 36 CO 0.30 -0.40 0.62 0.45 -1.32 0.00 0.00 175.29 174.94 2d1u s SER 37 N -3.84 -0.60 -0.09 12.60 0.15 -1.26 -4.54 113.70 116.13 2d1u s SER 37 Ca 0.08 0.81 -0.30 0.00 0.70 0.00 0.00 55.95 57.24 2d1u s SER 37 Cb 0.01 0.74 -0.04 0.00 -1.71 0.00 0.00 66.02 65.03 2d1u s SER 37 CO 0.05 -0.47 1.41 0.21 1.20 0.00 0.00 173.24 175.63 2d1u s ASN 38 N -0.74 6.85 0.85 5.45 3.04 -1.20 -3.96 114.94 125.22 2d1u s ASN 38 Ca -0.08 1.95 0.00 0.00 0.04 0.00 0.00 52.86 54.77 2d1u s ASN 38 Cb -0.02 -2.54 0.00 0.00 -1.54 0.00 0.00 41.25 37.15 2d1u s ASN 38 CO 0.06 -0.79 0.00 0.61 -3.04 0.00 0.00 177.10 173.94 2d1u n GLY 39 N 3.76 -3.64 3.72 1.21 0.00 -1.26 -4.31 105.19 104.68 2d1u n GLY 39 Ca 0.15 -1.23 -0.24 0.00 0.00 0.00 0.00 46.02 44.69 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 3.49 -0.29 0.99 2.96 -1.11 -4.58 118.68 120.13 2d1u s LEU 40 Ca 0.00 -0.38 0.05 0.00 -0.22 0.00 0.00 54.13 53.58 2d1u s LEU 40 Cb 0.00 -2.07 0.20 0.00 0.50 0.00 0.00 46.19 44.82 2d1u s LEU 40 CO 0.00 0.03 0.61 -2.28 -1.32 0.00 0.00 176.35 173.39 2d1u s HIS 41 N -1.98 -1.79 -1.99 5.38 2.46 -1.10 -1.25 115.29 115.01 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 0.21 -1.04 0.00 0.41 -2.47 0.00 0.00 174.74 171.86 2d1u n GLY 42 N 5.41 0.53 3.58 1.59 0.00 -1.12 -4.97 105.19 110.20 2d1u n GLY 42 Ca 0.04 -2.15 -0.41 0.00 0.00 0.00 0.00 46.02 43.51 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 -4.00 6.36 -0.18 1.61 -4.77 -1.26 -0.08 116.67 114.35 2d1u s ASP 43 Ca 0.00 0.19 -0.09 0.00 -3.30 0.00 0.00 52.55 49.35 2d1u s ASP 43 Cb 0.00 -2.27 0.06 0.00 -1.09 0.00 0.00 42.92 39.62 2d1u s ASP 43 CO 0.00 -0.40 0.42 -0.31 0.70 0.00 0.00 175.17 175.58 2d1u s TYR 44 N 2.37 -0.63 0.77 2.11 2.02 -1.12 -4.69 117.35 118.17 2d1u s TYR 44 Ca 0.20 1.34 -0.13 0.00 -0.37 0.00 0.00 57.07 58.11 2d1u s TYR 44 Cb -0.15 0.28 0.20 0.00 -0.40 0.00 0.00 41.96 41.89 2d1u s TYR 44 CO 0.12 -0.36 0.44 -3.47 -1.57 0.00 0.00 175.55 170.71 2d1u n ASP 45 N 4.34 -3.06 -0.11 2.29 -0.08 -1.26 -4.10 116.55 114.56 2d1u n ASP 45 Ca -0.22 -0.45 -0.09 0.00 -1.51 0.00 0.00 54.79 52.52 2d1u n ASP 45 Cb 0.55 -0.52 -0.01 0.00 2.34 0.00 0.00 41.12 43.48 2d1u n ASP 45 CO 0.00 0.00 0.00 1.62 0.12 0.00 0.00 177.20 178.94 2d1u h VAL 46 N -2.82 1.12 0.10 5.18 3.04 -1.96 0.30 116.25 121.23 2d1u h VAL 46 Ca -0.20 -0.29 -0.01 0.00 -1.01 0.00 0.00 66.70 65.19 2d1u h VAL 46 Cb 0.68 0.68 0.00 0.00 -2.01 0.00 0.00 31.29 30.63 2d1u h VAL 46 CO 0.12 0.12 -0.05 -0.33 -1.01 0.00 0.00 177.57 176.43 2d1u h GLU 47 N 0.46 -0.13 -0.13 4.17 5.08 -1.99 -1.79 114.58 120.25 2d1u h GLU 47 Ca 0.13 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.54 2d1u h GLU 47 Cb 0.02 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 2d1u h GLU 47 CO -0.02 0.38 -0.12 1.03 -1.00 0.00 0.00 179.01 179.27 2d1u h SER 48 N -0.83 -0.38 -0.50 1.42 0.87 -1.88 -1.91 113.55 110.34 2d1u h SER 48 Ca -0.01 0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.61 2d1u h SER 48 Cb 0.57 0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.70 2d1u h SER 48 CO 0.02 -0.16 0.25 1.23 -0.53 0.00 0.00 176.83 177.64 2d1u h GLY 49 N -0.14 0.77 0.22 5.77 0.00 -0.51 -2.15 103.07 107.03 2d1u h GLY 49 Ca 0.09 -0.38 0.05 0.00 0.00 0.00 0.00 47.33 47.09 2d1u h GLY 49 CO -0.22 0.36 -0.26 -2.00 0.00 0.00 0.00 176.54 174.42 2d1u h LEU 50 N 0.67 -0.81 -2.13 3.11 5.85 -0.93 0.10 115.31 121.18 2d1u h LEU 50 Ca 0.17 0.13 -0.02 0.00 0.84 0.00 0.00 57.88 59.01 2d1u h LEU 50 Cb 0.10 0.36 -0.00 0.00 0.37 0.00 0.00 40.66 41.49 2d1u h LEU 50 CO -0.02 -0.30 -0.07 1.56 -0.34 0.00 0.00 178.44 179.26 2d1u h GLN 51 N -0.31 0.00 0.00 1.25 1.08 -1.26 -1.36 115.11 114.50 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 0.48 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.89 2d1u h GLN 51 CO -0.34 0.07 -0.48 0.37 -0.95 0.00 0.00 178.83 177.51 2d1u h GLN 52 N 0.00 0.00 0.18 1.46 -0.00 -0.19 -0.71 115.11 115.85 2d1u h GLN 52 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.64 2d1u h GLN 52 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.71 2d1u h GLN 52 CO 0.01 0.48 -0.09 -0.07 0.00 0.00 0.00 178.83 179.16 2d1u h LEU 53 N 0.00 -0.21 0.00 -2.39 -0.00 0.04 -3.25 115.31 109.50 2d1u h LEU 53 Ca -0.00 -0.29 0.00 0.00 -0.00 0.00 0.00 57.88 57.59 2d1u h LEU 53 Cb 1.16 0.05 0.00 0.00 -0.00 0.00 0.00 40.66 41.88 2d1u h LEU 53 CO 0.06 0.35 0.00 0.00 -0.00 0.00 0.00 178.44 178.85 2d1u n LEU 54 N -4.93 0.00 -4.58 1.67 -0.00 -1.13 -3.24 117.00 104.80 2d1u n LEU 54 Ca -0.07 0.22 -0.56 0.00 -0.00 0.00 0.00 56.01 55.60 2d1u n LEU 54 Cb 0.24 -0.22 -0.08 0.00 -0.00 0.00 0.00 43.42 43.36 2d1u n LEU 54 CO 0.22 -0.00 1.52 -0.67 -0.00 0.00 0.00 177.39 178.45 2d1u n ASP 55 N -1.22 2.10 0.00 1.45 2.03 -0.27 -3.47 116.55 117.16 2d1u n ASP 55 Ca 0.16 0.83 0.00 0.00 0.52 0.00 0.00 54.79 56.31 2d1u n ASP 55 Cb 0.21 -1.14 0.00 0.00 -0.72 0.00 0.00 41.12 39.47 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 0.37 0.91 0.27 0.00 -1.26 -4.69 105.19 106.09 2d1u n GLY 56 Ca 0.34 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.34 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 0.47 0.00 1.61 3.41 -1.23 -5.13 113.62 112.75 2d1u n SER 57 Ca 0.00 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 2d1u n SER 57 Cb 0.00 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 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 2.92 0.04 3.35 5.00 0.00 -1.26 -5.07 105.19 110.16 2d1u n GLY 58 Ca -0.05 -0.78 -0.19 0.00 0.00 0.00 0.00 46.02 45.00 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 1.71 0.01 0.99 1.02 -1.26 -4.20 118.68 116.94 2d1u s LEU 59 Ca 0.00 -1.55 0.02 0.00 0.02 0.00 0.00 54.13 52.62 2d1u s LEU 59 Cb 0.00 0.15 -0.04 0.00 0.02 0.00 0.00 46.19 46.32 2d1u s LEU 59 CO 0.00 -0.87 -0.01 0.00 0.02 0.00 0.00 176.35 175.49 2d1u s GLN 60 N -3.82 2.71 -0.09 1.70 -2.07 -0.85 -4.90 119.66 112.34 2d1u s GLN 60 Ca 0.35 -0.66 0.01 0.00 -1.82 0.00 0.00 55.36 53.24 2d1u s GLN 60 Cb 0.05 -2.62 0.02 0.00 -1.09 0.00 0.00 33.01 29.37 2d1u s GLN 60 CO 0.17 0.61 -0.10 0.08 -1.32 0.00 0.00 175.29 174.74 2d1u s VAL 61 N -1.09 1.07 0.00 3.63 1.01 -1.26 -1.61 120.40 122.15 2d1u s VAL 61 Ca 0.20 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.82 2d1u s VAL 61 Cb -0.11 -1.04 -0.01 0.00 0.00 0.00 0.00 36.38 35.22 2d1u s VAL 61 CO 0.10 0.36 -0.04 -1.59 0.00 0.00 0.00 175.10 173.93 2d1u s LYS 62 N 1.24 0.33 0.80 2.72 0.00 -1.07 -4.94 119.74 118.82 2d1u s LYS 62 Ca -0.04 -0.22 -0.11 0.00 0.00 0.00 0.00 55.97 55.61 2d1u s LYS 62 Cb -0.14 -0.28 0.07 0.00 0.00 0.00 0.00 37.83 37.48 2d1u s LYS 62 CO -0.03 0.07 1.09 -1.25 0.00 0.00 0.00 175.35 175.24 2d1u s PRO 63 N -0.30 2.07 0.11 1.78 0.04 -1.26 -2.00 135.00 135.43 2d1u s PRO 63 Ca -0.00 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.14 2d1u s PRO 63 Cb -0.03 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.63 2d1u s PRO 63 CO -0.00 -1.76 0.00 1.28 0.04 0.00 0.00 177.00 176.56 2d1u n LEU 64 N -3.59 0.63 0.00 -3.56 4.77 0.33 -4.90 117.00 110.67 2d1u n LEU 64 Ca 0.09 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 2d1u n LEU 64 Cb 0.53 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 2d1u n LEU 64 CO 0.54 -0.70 0.00 0.61 -1.33 0.00 0.00 177.39 176.50 2d1u n GLY 65 N 3.05 2.78 3.56 -0.72 0.00 -1.25 -4.96 105.19 107.64 2d1u n GLY 65 Ca 0.00 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 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 5.48 -0.66 1.61 2.47 -1.26 -3.91 114.94 119.67 2d1u s ASN 66 Ca 0.00 -0.73 -0.04 0.00 0.42 0.00 0.00 52.86 52.51 2d1u s ASN 66 Cb 0.00 -2.56 0.04 0.00 -1.45 0.00 0.00 41.25 37.28 2d1u s ASN 66 CO 0.00 -2.41 0.14 -3.20 -3.72 0.00 0.00 177.10 167.91 2d1u n ASN 67 N 12.61 -2.24 -4.51 -4.21 4.05 -1.26 -4.63 115.26 115.06 2d1u n ASN 67 Ca 0.35 0.10 -0.42 0.00 0.45 0.00 0.00 54.58 55.07 2d1u n ASN 67 Cb 0.48 -1.97 -0.09 0.00 1.23 0.00 0.00 39.78 39.43 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 -2.25 6.18 0.12 1.20 1.04 -1.25 -2.66 113.70 116.07 2d1u s SER 68 Ca 0.15 -0.47 0.04 0.00 0.48 0.00 0.00 55.95 56.15 2d1u s SER 68 Cb -0.08 -2.20 -0.04 0.00 0.10 0.00 0.00 66.02 63.79 2d1u s SER 68 CO 0.18 -0.45 0.12 0.26 0.98 0.00 0.00 173.24 174.34 2d1u s TRP 69 N 2.04 3.20 0.04 5.02 0.52 -0.61 0.12 118.94 129.27 2d1u s TRP 69 Ca 0.11 0.04 0.02 0.00 0.02 0.00 0.00 56.10 56.30 2d1u s TRP 69 Cb -0.17 -1.58 -0.02 0.00 -1.15 0.00 0.00 33.47 30.55 2d1u s TRP 69 CO 0.12 0.52 -0.08 -0.08 0.02 0.00 0.00 176.95 177.46 2d1u s THR 70 N -1.57 0.53 -0.02 2.01 -1.32 -0.85 -0.43 115.64 113.98 2d1u s THR 70 Ca 0.30 -1.04 -0.02 0.00 -1.21 0.00 0.00 61.69 59.72 2d1u s THR 70 Cb -0.11 -0.59 -0.04 0.00 -1.51 0.00 0.00 72.50 70.25 2d1u s THR 70 CO 0.23 -0.36 0.13 -0.76 -2.21 0.00 0.00 174.62 171.65 2d1u s LEU 71 N -1.51 4.17 0.05 9.08 2.01 -1.26 -2.58 118.68 128.63 2d1u s LEU 71 Ca -0.10 0.28 -0.06 0.00 0.01 0.00 0.00 54.13 54.26 2d1u s LEU 71 Cb -0.10 -2.39 -0.01 0.00 0.01 0.00 0.00 46.19 43.70 2d1u s LEU 71 CO 0.00 0.29 0.12 -1.61 1.01 0.00 0.00 176.35 176.16 2d1u s GLU 72 N -1.72 0.67 -0.04 1.70 2.02 -0.63 -4.87 118.70 115.83 2d1u s GLU 72 Ca 0.24 -0.84 -0.30 0.00 0.02 0.00 0.00 54.97 54.09 2d1u s GLU 72 Cb -0.12 0.27 -0.05 0.00 0.10 0.00 0.00 34.13 34.32 2d1u s GLU 72 CO 0.15 -0.18 1.48 -1.25 0.02 0.00 0.00 175.26 175.48 2d1u s PRO 73 N -3.07 4.23 0.27 0.39 0.04 -1.26 -2.00 135.00 133.61 2d1u s PRO 73 Ca -0.01 2.02 0.10 0.00 0.04 0.00 0.00 61.00 63.15 2d1u s PRO 73 Cb 0.01 -3.74 -0.04 0.00 0.04 0.00 0.00 34.50 30.77 2d1u s PRO 73 CO -0.07 -0.70 -0.03 0.00 0.04 0.00 0.00 177.00 176.25 2d1u s ALA 74 N 3.15 3.12 0.94 8.56 0.00 -1.26 -4.85 121.76 131.42 2d1u s ALA 74 Ca 0.66 -1.69 -0.12 0.00 0.00 0.00 0.00 51.96 50.81 2d1u s ALA 74 Cb -0.31 -0.70 0.16 0.00 0.00 0.00 0.00 23.12 22.27 2d1u s ALA 74 CO 0.26 0.26 1.09 -1.25 0.00 0.00 0.00 175.76 176.12 2d1u s PRO 75 N -3.66 0.87 0.53 0.00 0.04 -1.26 -4.90 135.00 126.62 2d1u s PRO 75 Ca 0.31 0.68 -0.07 0.00 0.04 0.00 0.00 61.00 61.97 2d1u s PRO 75 Cb -0.06 -1.77 -0.04 0.00 0.04 0.00 0.00 34.50 32.67 2d1u s PRO 75 CO 0.19 -2.47 0.87 0.00 0.04 0.00 0.00 177.00 175.63 2d1u s ALA 76 N -2.95 3.30 0.95 8.56 0.00 -1.26 -4.99 121.76 125.37 2d1u s ALA 76 Ca 0.64 -0.38 -0.12 0.00 0.00 0.00 0.00 51.96 52.11 2d1u s ALA 76 Cb -0.18 -2.75 0.16 0.00 0.00 0.00 0.00 23.12 20.35 2d1u s ALA 76 CO 0.57 -0.48 1.09 -1.25 0.00 0.00 0.00 175.76 175.69 2d1u s PRO 77 N -4.90 0.80 -0.05 0.00 0.04 -1.26 -5.00 135.00 124.63 2d1u s PRO 77 Ca 0.50 0.65 0.08 0.00 0.04 0.00 0.00 61.00 62.28 2d1u s PRO 77 Cb -0.11 -1.77 0.13 0.00 0.04 0.00 0.00 34.50 32.80 2d1u s PRO 77 CO 0.48 -2.51 1.07 0.36 0.04 0.00 0.00 177.00 176.43 2d1u n LYS 78 N -4.04 0.46 -2.99 4.56 -0.00 -1.26 -4.98 118.16 109.91 2d1u n LYS 78 Ca 0.06 -1.65 0.04 0.00 -0.00 0.00 0.00 58.31 56.76 2d1u n LYS 78 Cb 0.56 -0.82 0.00 0.00 -0.00 0.00 0.00 35.03 34.77 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 -1.03 0.18 -0.08 -1.58 -6.30 -1.26 -5.16 118.70 103.48 2d1u s GLU 79 Ca 0.14 0.05 0.04 0.00 -2.50 0.00 0.00 54.97 52.69 2d1u s GLU 79 Cb 0.13 0.05 0.00 0.00 0.00 0.00 0.00 34.13 34.31 2d1u s GLU 79 CO -0.00 -0.30 -0.19 -0.51 0.02 0.00 0.00 175.26 174.28 2d1u s ASP 80 N 2.51 2.49 0.02 -1.70 1.11 -1.26 -5.12 116.67 114.72 2d1u s ASP 80 Ca 0.22 -0.43 -0.25 0.00 0.18 0.00 0.00 52.55 52.26 2d1u s ASP 80 Cb 0.00 -1.04 -0.05 0.00 1.07 0.00 0.00 42.92 42.90 2d1u s ASP 80 CO -0.19 0.12 0.78 0.00 1.18 0.00 0.00 175.17 177.05 2d1u s ALA 81 N 0.37 3.34 0.03 5.23 0.00 -1.26 -5.06 121.76 124.41 2d1u s ALA 81 Ca -0.14 0.28 0.07 0.00 0.00 0.00 0.00 51.96 52.17 2d1u s ALA 81 Cb -0.16 -3.02 -0.02 0.00 0.00 0.00 0.00 23.12 19.92 2d1u s ALA 81 CO 0.06 0.01 -0.19 -1.17 0.00 0.00 0.00 175.76 174.46 2d1u s LEU 82 N 0.18 2.13 0.45 0.00 2.96 -1.26 -5.14 118.68 118.00 2d1u s LEU 82 Ca 0.40 -0.46 -0.10 0.00 -0.22 0.00 0.00 54.13 53.74 2d1u s LEU 82 Cb -0.20 -0.93 -0.06 0.00 0.50 0.00 0.00 46.19 45.50 2d1u s LEU 82 CO 0.23 0.17 0.82 0.28 -1.32 0.00 0.00 176.35 176.52 2d1u s THR 83 N -0.70 4.78 -0.57 3.68 -1.32 -1.26 -5.05 115.64 115.19 2d1u s THR 83 Ca 0.07 0.62 0.03 0.00 -1.21 0.00 0.00 61.69 61.20 2d1u s THR 83 Cb -0.08 -3.77 0.14 0.00 -1.51 0.00 0.00 72.50 67.28 2d1u s THR 83 CO 0.01 -0.66 0.34 -0.69 -2.21 0.00 0.00 174.62 171.40 2d1u s VAL 84 N -2.54 2.83 1.27 5.08 1.01 -1.26 -5.10 120.40 121.69 2d1u s VAL 84 Ca 0.52 -3.45 -0.21 0.00 0.00 0.00 0.00 61.98 58.83 2d1u s VAL 84 Cb -0.10 -2.92 0.32 0.00 0.00 0.00 0.00 36.38 33.68 2d1u s VAL 84 CO 0.36 -0.85 0.90 1.33 0.00 0.00 0.00 175.10 176.84 2d1u n VAL 85 N 2.94 0.00 0.00 2.92 0.24 -1.26 -4.94 118.33 118.23 2d1u n VAL 85 Ca 0.08 -0.20 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 2d1u n VAL 85 Cb 0.33 -1.05 0.00 0.00 -1.47 0.00 0.00 33.84 31.65 2d1u n VAL 85 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2d1u n GLY 86 N -4.89 -0.81 3.76 7.63 0.00 -1.26 -5.01 105.19 104.62 2d1u n GLY 86 Ca 0.13 -2.17 -0.39 0.00 0.00 0.00 0.00 46.02 43.59 2d1u n GLY 86 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2d1u s ASP 87 N -4.00 6.06 0.01 1.61 -1.08 -1.26 -5.04 116.67 112.97 2d1u s ASP 87 Ca 0.00 2.60 0.00 0.00 -0.52 0.00 0.00 52.55 54.63 2d1u s ASP 87 Cb 0.00 -2.63 0.00 0.00 -1.46 0.00 0.00 42.92 38.83 2d1u s ASP 87 CO 0.00 -1.01 0.00 0.79 0.52 0.00 0.00 175.17 175.47 2d1u n TRP 88 N -0.25 -2.76 -1.39 -5.34 7.02 -1.26 -4.98 117.44 108.47 2d1u n TRP 88 Ca 0.06 0.00 -0.25 0.00 -1.02 0.00 0.00 57.50 56.29 2d1u n TRP 88 Cb 0.45 0.00 -0.08 0.00 -2.42 0.00 0.00 31.31 29.26 2d1u n TRP 88 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 2d1u n LEU 89 N 0.00 6.38 0.00 -0.99 7.99 -1.26 -4.96 117.00 124.16 2d1u n LEU 89 Ca 0.00 -3.91 -0.18 0.00 -0.01 0.00 0.00 56.01 51.91 2d1u n LEU 89 Cb 0.00 -1.31 0.18 0.00 -0.11 0.00 0.00 43.42 42.17 2d1u n LEU 89 CO 0.00 1.77 0.20 0.61 -1.51 0.00 0.00 177.39 178.47 2d1u n GLY 90 N 1.54 -3.35 2.78 -0.72 0.00 -1.26 -5.05 105.19 99.13 2d1u n GLY 90 Ca 0.50 -1.09 -0.17 0.00 0.00 0.00 0.00 46.02 45.26 2d1u n GLY 90 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2d1u s ASP 91 N -2.51 0.50 -0.06 1.61 -4.77 -1.26 -5.13 116.67 105.04 2d1u s ASP 91 Ca 0.40 0.15 -0.01 0.00 -3.30 0.00 0.00 52.55 49.78 2d1u s ASP 91 Cb -0.07 0.01 0.03 0.00 -1.09 0.00 0.00 42.92 41.80 2d1u s ASP 91 CO 0.33 -0.19 0.01 0.00 0.70 0.00 0.00 175.17 176.02 2d1u s ALA 92 N 1.65 0.61 0.28 2.11 0.00 -1.26 -5.15 121.76 120.01 2d1u s ALA 92 Ca -0.02 -0.06 0.03 0.00 0.00 0.00 0.00 51.96 51.91 2d1u s ALA 92 Cb -0.12 -0.70 -0.06 0.00 0.00 0.00 0.00 23.12 22.24 2d1u s ALA 92 CO -0.04 -0.44 0.04 -0.98 0.00 0.00 0.00 175.76 174.34 2d1u s ARG 93 N 1.95 1.51 0.05 0.00 1.70 -1.26 -5.17 118.95 117.73 2d1u s ARG 93 Ca 0.04 -1.81 0.01 0.00 -0.47 0.00 0.00 55.73 53.50 2d1u s ARG 93 Cb -0.12 -0.70 -0.03 0.00 -0.57 0.00 0.00 34.95 33.52 2d1u s ARG 93 CO -0.05 -0.17 -0.05 -2.00 -1.08 0.00 0.00 175.30 171.96 2d1u s GLU 94 N -3.90 0.55 0.78 3.89 2.56 -1.26 -5.15 118.70 116.18 2d1u s GLU 94 Ca 0.34 -0.95 -0.13 0.00 0.00 0.00 0.00 54.97 54.22 2d1u s GLU 94 Cb 0.07 -0.04 0.07 0.00 2.00 0.00 0.00 34.13 36.23 2d1u s GLU 94 CO 0.13 -0.03 1.18 0.54 -0.56 0.00 0.00 175.26 176.52 2d1u s ASN 95 N -2.18 3.92 0.50 -1.70 4.22 -1.26 -5.02 114.94 113.42 2d1u s ASN 95 Ca -0.03 2.27 -0.04 0.00 -2.14 0.00 0.00 52.86 52.93 2d1u s ASN 95 Cb -0.02 -2.58 -0.01 0.00 1.28 0.00 0.00 41.25 39.92 2d1u s ASN 95 CO -0.04 -2.44 0.78 -0.62 -2.04 0.00 0.00 177.10 172.74 2d1u s ASP 96 N -2.29 5.91 -0.67 3.54 -1.08 -1.26 -5.05 116.67 115.77 2d1u s ASP 96 Ca 0.71 0.64 -0.09 0.00 -0.52 0.00 0.00 52.55 53.30 2d1u s ASP 96 Cb -0.27 -1.85 0.17 0.00 -1.46 0.00 0.00 42.92 39.52 2d1u s ASP 96 CO 0.49 -0.76 0.54 -0.22 0.52 0.00 0.00 175.17 175.74 2d1u s LEU 97 N -4.75 5.93 0.05 -1.34 2.96 -1.26 -5.05 118.68 115.22 2d1u s LEU 97 Ca 0.49 -2.57 -0.30 0.00 -0.22 0.00 0.00 54.13 51.53 2d1u s LEU 97 Cb -0.10 -2.03 -0.09 0.00 0.50 0.00 0.00 46.19 44.47 2d1u s LEU 97 CO 0.42 -0.53 1.95 -0.70 -1.32 0.00 0.00 176.35 176.18 2d1u s GLU 98 N 0.36 4.14 -0.39 1.98 2.12 -1.26 -4.95 118.70 120.69 2d1u s GLU 98 Ca 0.15 2.62 -0.10 0.00 0.36 0.00 0.00 54.97 57.99 2d1u s GLU 98 Cb -0.18 -4.08 0.05 0.00 0.26 0.00 0.00 34.13 30.19 2d1u s GLU 98 CO -0.05 -0.94 0.23 -1.58 -0.54 0.00 0.00 175.26 172.38 2d1u s HIS 99 N 4.20 3.28 0.74 5.30 5.65 -1.26 -5.09 115.29 128.11 2d1u s HIS 99 Ca 0.87 -1.24 -0.09 0.00 0.25 0.00 0.00 55.06 54.86 2d1u s HIS 99 Cb -0.43 -2.67 0.07 0.00 -1.18 0.00 0.00 32.58 28.36 2d1u s HIS 99 CO 0.41 -0.75 1.07 -1.58 -0.65 0.00 0.00 174.74 173.24 2d1u s HIS 100 N 1.49 2.94 0.74 3.88 2.46 -1.26 -5.07 115.29 120.48 2d1u s HIS 100 Ca 0.02 0.56 -0.11 0.00 0.47 0.00 0.00 55.06 56.00 2d1u s HIS 100 Cb -0.21 -3.29 0.04 0.00 -0.13 0.00 0.00 32.58 28.99 2d1u s HIS 100 CO 0.04 -1.52 1.09 -1.58 -2.47 0.00 0.00 174.74 170.30 2d1u s HIS 101 N -3.36 3.06 -1.36 3.88 2.46 -1.26 -4.05 115.29 114.66 2d1u s HIS 101 Ca 0.61 1.18 -0.04 0.00 0.47 0.00 0.00 55.06 57.28 2d1u s HIS 101 Cb -0.11 -3.04 0.02 0.00 -0.13 0.00 0.00 32.58 29.33 2d1u s HIS 101 CO 0.46 -1.45 0.78 1.58 -2.47 0.00 0.00 174.74 173.65 2d1u n HIS 102 N -3.22 -2.03 -3.30 3.88 -0.00 -1.26 -4.93 115.22 104.36 2d1u n HIS 102 Ca 0.07 0.86 -0.27 0.00 -0.00 0.00 0.00 57.72 58.38 2d1u n HIS 102 Cb 0.56 -4.31 -0.07 0.00 -0.00 0.00 0.00 29.99 26.17 2d1u n HIS 102 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2d1u n HIS 103 N -4.39 3.76 0.68 1.57 -0.00 -1.26 -5.30 115.22 110.29 2d1u n HIS 103 Ca -0.21 -4.11 0.05 0.00 -0.00 0.00 0.00 57.72 53.45 2d1u n HIS 103 Cb 0.64 -0.55 0.33 0.00 -0.00 0.00 0.00 29.99 30.41 2d1u n HIS 103 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95