#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d1u s GLN 2 N 0.00 4.16 -0.06 0.00 0.74 -1.26 -2.85 119.66 120.39 2d1u s GLN 2 Ca 0.00 2.50 -0.01 0.00 0.05 0.00 0.00 55.36 57.91 2d1u s GLN 2 Cb 0.00 -3.70 0.03 0.00 1.10 0.00 0.00 33.01 30.44 2d1u s GLN 2 CO 0.00 -0.83 -0.00 0.08 -0.55 0.00 0.00 175.29 173.99 2d1u s VAL 3 N 3.04 0.37 -0.26 1.34 1.01 0.92 -4.92 120.40 121.89 2d1u s VAL 3 Ca 0.80 0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.88 2d1u s VAL 3 Cb -0.43 -0.50 0.05 0.00 0.00 0.00 0.00 36.38 35.50 2d1u s VAL 3 CO 0.36 0.24 -0.08 0.54 0.00 0.00 0.00 175.10 176.16 2d1u s ASN 4 N 1.74 4.47 -0.05 3.32 4.22 -1.26 -2.71 114.94 124.67 2d1u s ASN 4 Ca 0.01 -1.26 0.06 0.00 -2.14 0.00 0.00 52.86 49.53 2d1u s ASN 4 Cb -0.13 -1.60 -0.01 0.00 1.28 0.00 0.00 41.25 40.79 2d1u s ASN 4 CO -0.04 -0.19 -0.24 -0.63 -2.04 0.00 0.00 177.10 173.96 2d1u s ILE 5 N 1.18 1.95 -0.04 0.54 1.01 -0.33 -4.93 121.20 120.58 2d1u s ILE 5 Ca -0.06 -1.02 -0.21 0.00 0.00 0.00 0.00 60.65 59.36 2d1u s ILE 5 Cb -0.19 -1.64 -0.05 0.00 0.01 0.00 0.00 42.46 40.59 2d1u s ILE 5 CO -0.04 0.55 0.62 0.00 0.00 0.00 0.00 174.94 176.06 2d1u s ALA 6 N -0.24 3.43 1.00 9.38 0.00 -1.26 -2.72 121.76 131.35 2d1u s ALA 6 Ca -0.00 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.00 2d1u s ALA 6 Cb -0.12 -2.81 0.00 0.00 0.00 0.00 0.00 23.12 20.18 2d1u s ALA 6 CO 0.02 0.04 0.00 -0.35 0.00 0.00 0.00 175.76 175.47 2d1u n PRO 7 N 3.25 0.09 0.00 0.00 -0.04 -1.26 -4.68 135.00 132.37 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 2.44 0.99 0.00 0.55 0.00 -1.26 -4.98 105.19 102.93 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 -0.30 1.61 7.64 -1.26 -4.97 113.62 116.33 2d1u n SER 9 Ca 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.84 2d1u n SER 9 Cb 0.00 0.00 0.08 0.00 -1.01 0.00 0.00 64.21 63.28 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 0.94 -0.92 -3.43 6.46 -1.61 0.11 115.31 116.86 2d1u h LEU 10 Ca 0.00 -0.02 -0.06 0.00 -0.12 0.00 0.00 57.88 57.68 2d1u h LEU 10 Cb 0.00 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 39.67 2d1u h LEU 10 CO 0.00 0.68 0.14 -2.24 -0.62 0.00 0.00 178.44 176.40 2d1u h ASP 11 N 1.11 0.88 0.29 1.25 2.03 -1.80 -1.82 116.42 118.36 2d1u h ASP 11 Ca 0.30 -0.17 -0.01 0.00 -0.73 0.00 0.00 57.03 56.42 2d1u h ASP 11 Cb -0.12 -0.23 0.00 0.00 -0.83 0.00 0.00 39.33 38.15 2d1u h ASP 11 CO -0.07 0.86 -0.14 0.11 -1.03 0.00 0.00 179.24 178.97 2d1u h LYS 12 N 0.90 -0.37 -0.84 4.15 1.57 -1.80 -2.78 116.57 117.40 2d1u h LYS 12 Ca 0.19 0.03 0.23 0.00 -1.87 0.00 0.00 60.65 59.23 2d1u h LYS 12 Cb 0.33 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.68 2d1u h LYS 12 CO 0.00 -0.05 0.59 0.00 -0.57 0.00 0.00 179.45 179.42 2d1u h ALA 13 N -0.59 2.62 0.23 3.86 0.00 -0.82 0.36 119.26 124.92 2d1u h ALA 13 Ca -0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2d1u h ALA 13 Cb 0.49 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2d1u h ALA 13 CO 0.06 -0.87 -0.11 1.25 0.00 0.00 0.00 179.25 179.59 2d1u h LEU 14 N 0.11 -0.26 -1.53 0.00 5.85 -1.31 -2.81 115.31 115.35 2d1u h LEU 14 Ca 0.41 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 2d1u h LEU 14 Cb 1.45 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.54 2d1u h LEU 14 CO -0.05 0.15 0.04 0.78 -0.34 0.00 0.00 178.44 179.02 2d1u h ASN 15 N -0.72 0.31 0.55 1.25 2.35 -0.99 0.29 115.58 118.62 2d1u h ASN 15 Ca -0.03 -0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.66 2d1u h ASN 15 Cb 0.49 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.78 2d1u h ASN 15 CO 0.05 0.34 -0.32 1.56 -1.65 0.00 0.00 177.43 177.41 2d1u h GLN 16 N 0.34 -0.78 -0.04 0.81 1.08 -0.93 -0.69 115.11 114.89 2d1u h GLN 16 Ca 0.08 0.05 -0.19 0.00 -1.45 0.00 0.00 58.65 57.15 2d1u h GLN 16 Cb 0.17 0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.77 2d1u h GLN 16 CO -0.00 -0.52 -0.79 0.10 -0.95 0.00 0.00 178.83 176.66 2d1u h TYR 17 N -0.81 0.45 -0.72 2.96 -0.00 -1.33 -2.77 116.97 114.75 2d1u h TYR 17 Ca -0.07 -0.22 0.05 0.00 0.00 0.00 0.00 58.73 58.49 2d1u h TYR 17 Cb 0.65 -0.06 -0.05 0.00 0.00 0.00 0.00 36.73 37.27 2d1u h TYR 17 CO -0.08 0.99 0.43 0.00 -0.00 0.00 0.00 178.16 179.50 2d1u h ALA 18 N 0.95 0.97 0.00 0.10 0.00 -0.31 -0.86 119.26 120.10 2d1u h ALA 18 Ca -0.04 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 2d1u h ALA 18 Cb 1.38 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2d1u h ALA 18 CO 0.13 0.17 -0.33 0.00 0.00 0.00 0.00 179.25 179.22 2d1u h ALA 19 N 1.34 0.85 0.00 0.00 0.00 -1.14 -2.29 119.26 118.02 2d1u h ALA 19 Ca 0.31 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 2d1u h ALA 19 Cb 0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2d1u h ALA 19 CO -0.15 0.41 -0.48 0.45 0.00 0.00 0.00 179.25 179.48 2d1u h HIS 20 N 0.00 0.00 0.00 0.00 -0.00 -0.97 -3.35 115.15 110.82 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 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.51 2d1u h HIS 20 CO 0.00 0.48 -0.40 0.77 -0.00 0.00 0.00 177.93 178.78 2d1u h SER 21 N 0.00 0.00 0.00 2.45 0.02 -1.13 -3.50 113.55 111.39 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 1.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.64 2d1u h SER 21 CO 0.06 0.64 0.00 0.61 -1.14 0.00 0.00 176.83 177.00 2d1u n GLY 22 N 1.65 1.91 3.57 -3.77 0.00 -0.87 -5.03 105.19 102.65 2d1u n GLY 22 Ca -0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 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 2.29 0.06 1.61 -0.71 -1.25 -5.09 117.98 112.90 2d1u s PHE 23 Ca 0.00 -0.79 0.01 0.00 -1.04 0.00 0.00 56.93 55.11 2d1u s PHE 23 Cb 0.00 -1.60 -0.04 0.00 -1.21 0.00 0.00 43.02 40.17 2d1u s PHE 23 CO 0.00 0.28 0.16 0.99 -1.34 0.00 0.00 175.22 175.31 2d1u s THR 24 N -2.92 5.07 -0.00 -4.49 2.01 -0.13 -4.83 115.64 110.34 2d1u s THR 24 Ca 0.33 -0.52 0.00 0.00 0.31 0.00 0.00 61.69 61.82 2d1u s THR 24 Cb 0.09 -3.45 0.00 0.00 0.01 0.00 0.00 72.50 69.15 2d1u s THR 24 CO 0.16 0.15 -0.00 -0.22 -0.69 0.00 0.00 174.62 174.02 2d1u s LEU 25 N -2.43 1.90 -0.30 4.42 2.96 -1.26 -1.17 118.68 122.81 2d1u s LEU 25 Ca 0.32 -0.01 0.01 0.00 -0.22 0.00 0.00 54.13 54.24 2d1u s LEU 25 Cb -0.13 -0.04 0.09 0.00 0.50 0.00 0.00 46.19 46.61 2d1u s LEU 25 CO 0.25 -0.01 0.04 -0.55 -1.32 0.00 0.00 176.35 174.77 2d1u s SER 26 N 0.10 4.21 -0.01 3.68 0.15 0.90 -4.92 113.70 117.81 2d1u s SER 26 Ca -0.01 -1.68 0.03 0.00 0.70 0.00 0.00 55.95 54.99 2d1u s SER 26 Cb -0.02 -1.20 -0.01 0.00 -1.71 0.00 0.00 66.02 63.09 2d1u s SER 26 CO -0.00 -0.36 -0.10 0.54 1.20 0.00 0.00 173.24 174.52 2d1u s VAL 27 N 1.32 0.81 -0.59 4.45 0.11 -1.26 -3.88 120.40 121.37 2d1u s VAL 27 Ca 0.06 -0.42 -0.31 0.00 -2.93 0.00 0.00 61.98 58.38 2d1u s VAL 27 Cb -0.18 -0.69 -0.13 0.00 -1.53 0.00 0.00 36.38 33.85 2d1u s VAL 27 CO -0.14 0.23 2.42 0.47 -3.33 0.00 0.00 175.10 174.75 2d1u n ASP 28 N 2.93 1.65 0.00 3.54 9.92 -1.26 -4.75 116.55 128.57 2d1u n ASP 28 Ca -0.15 0.03 0.10 0.00 -0.53 0.00 0.00 54.79 54.24 2d1u n ASP 28 Cb 0.56 -1.27 0.46 0.00 -0.64 0.00 0.00 41.12 40.23 2d1u n ASP 28 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2d1u n ALA 29 N 12.13 1.98 -0.14 2.24 0.00 -1.26 -3.57 120.51 131.89 2d1u n ALA 29 Ca 0.47 -0.08 -0.03 0.00 0.00 0.00 0.00 53.44 53.80 2d1u n ALA 29 Cb 0.28 -1.32 0.04 0.00 0.00 0.00 0.00 19.45 18.44 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 -0.30 0.63 0.00 0.02 -2.02 -1.56 113.55 110.32 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 0.26 0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.01 2d1u h SER 30 CO 0.00 -0.11 -1.41 -0.07 -1.14 0.00 0.00 176.83 174.11 2d1u h LEU 31 N 0.06 0.17 -2.15 5.07 4.07 -1.97 -3.30 115.31 117.27 2d1u h LEU 31 Ca 0.23 -0.24 0.07 0.00 0.08 0.00 0.00 57.88 58.01 2d1u h LEU 31 Cb 0.34 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.02 2d1u h LEU 31 CO -0.42 1.20 0.28 0.74 -1.08 0.00 0.00 178.44 179.16 2d1u h THR 32 N 0.03 0.41 0.00 0.22 2.02 -1.51 -3.12 112.91 110.96 2d1u h THR 32 Ca -0.18 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.00 2d1u h THR 32 Cb 1.94 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 69.12 2d1u h THR 32 CO 0.13 0.00 0.00 0.54 0.37 0.00 0.00 175.52 176.56 2d1u n ARG 33 N -3.71 0.00 -1.41 6.66 5.12 -0.64 -2.43 116.66 120.25 2d1u n ARG 33 Ca 0.03 0.58 -0.31 0.00 -1.93 0.00 0.00 57.85 56.23 2d1u n ARG 33 Cb 0.42 -1.22 0.04 0.00 -1.16 0.00 0.00 32.46 30.54 2d1u n ARG 33 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2d1u n GLY 34 N -0.92 5.14 3.41 -0.13 0.00 -1.18 -4.92 105.19 106.58 2d1u n GLY 34 Ca 0.00 -2.01 -0.21 0.00 0.00 0.00 0.00 46.02 43.79 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 -3.08 1.51 0.44 1.61 1.02 -1.02 -5.10 119.74 115.12 2d1u s LYS 35 Ca 0.53 -1.70 0.03 0.00 0.02 0.00 0.00 55.97 54.86 2d1u s LYS 35 Cb 0.41 -1.39 -0.02 0.00 -0.52 0.00 0.00 37.83 36.32 2d1u s LYS 35 CO -0.15 0.22 0.11 1.14 -0.92 0.00 0.00 175.35 175.75 2d1u s GLN 36 N -3.61 2.03 -0.19 1.68 0.00 -1.26 -1.99 119.66 116.32 2d1u s GLN 36 Ca 0.27 -2.27 -0.28 0.00 -0.00 0.00 0.00 55.36 53.08 2d1u s GLN 36 Cb -0.01 -0.80 0.11 0.00 0.00 0.00 0.00 33.01 32.31 2d1u s GLN 36 CO 0.11 -0.49 0.91 0.45 0.00 0.00 0.00 175.29 176.27 2d1u s SER 37 N -3.69 -0.50 -0.08 12.60 0.15 -1.26 -4.43 113.70 116.49 2d1u s SER 37 Ca 0.18 0.75 -0.30 0.00 0.70 0.00 0.00 55.95 57.29 2d1u s SER 37 Cb 0.01 0.69 -0.04 0.00 -1.71 0.00 0.00 66.02 64.97 2d1u s SER 37 CO 0.12 -0.32 1.52 0.20 1.20 0.00 0.00 173.24 175.95 2d1u s ASN 38 N -0.50 6.76 1.10 5.45 0.01 -1.11 -4.20 114.94 122.46 2d1u s ASN 38 Ca -0.02 2.06 -0.09 0.00 -0.71 0.00 0.00 52.86 54.10 2d1u s ASN 38 Cb -0.02 -2.54 0.14 0.00 0.41 0.00 0.00 41.25 39.24 2d1u s ASN 38 CO 0.01 -0.86 0.33 0.61 -1.51 0.00 0.00 177.10 175.67 2d1u n GLY 39 N 3.94 -3.44 3.75 0.66 0.00 -1.26 -4.25 105.19 104.58 2d1u n GLY 39 Ca 0.16 -1.13 -0.24 0.00 0.00 0.00 0.00 46.02 44.81 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 3.57 -0.29 0.99 2.96 -1.10 -4.62 118.68 120.19 2d1u s LEU 40 Ca 0.25 -0.34 0.05 0.00 -0.22 0.00 0.00 54.13 53.87 2d1u s LEU 40 Cb -0.04 -2.14 0.20 0.00 0.50 0.00 0.00 46.19 44.70 2d1u s LEU 40 CO 0.21 0.02 0.61 -2.28 -1.32 0.00 0.00 176.35 173.59 2d1u s HIS 41 N -2.00 -1.79 -2.21 5.38 2.46 -1.10 -1.18 115.29 114.84 2d1u s HIS 41 Ca 0.31 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 0.22 -1.04 0.00 0.41 -2.47 0.00 0.00 174.74 171.87 2d1u n GLY 42 N 5.41 0.58 3.59 1.59 0.00 -1.12 -4.97 105.19 110.26 2d1u n GLY 42 Ca 0.04 -2.13 -0.41 0.00 0.00 0.00 0.00 46.02 43.52 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 -3.83 6.39 -0.18 1.61 -4.77 -1.26 -0.06 116.67 114.58 2d1u s ASP 43 Ca 0.00 0.24 -0.09 0.00 -3.30 0.00 0.00 52.55 49.40 2d1u s ASP 43 Cb 0.00 -2.29 0.06 0.00 -1.09 0.00 0.00 42.92 39.60 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 2.44 -0.64 0.89 2.11 2.02 -1.13 -4.80 117.35 118.24 2d1u s TYR 44 Ca 0.21 1.34 -0.14 0.00 -0.37 0.00 0.00 57.07 58.11 2d1u s TYR 44 Cb -0.15 0.28 0.22 0.00 -0.40 0.00 0.00 41.96 41.91 2d1u s TYR 44 CO 0.12 -0.36 0.51 -0.25 -1.57 0.00 0.00 175.55 173.99 2d1u n ASP 45 N 4.39 -3.22 -0.11 2.29 9.92 -1.26 -4.10 116.55 124.45 2d1u n ASP 45 Ca -0.22 -0.51 -0.09 0.00 -0.53 0.00 0.00 54.79 53.45 2d1u n ASP 45 Cb 0.55 -0.61 -0.01 0.00 -0.64 0.00 0.00 41.12 40.41 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 -2.94 1.10 0.09 2.53 3.04 -1.96 0.31 116.25 118.42 2d1u h VAL 46 Ca -0.23 -0.21 -0.00 0.00 -1.01 0.00 0.00 66.70 65.24 2d1u h VAL 46 Cb 0.78 0.61 0.00 0.00 -2.01 0.00 0.00 31.29 30.67 2d1u h VAL 46 CO 0.14 0.10 -0.04 -0.33 -1.01 0.00 0.00 177.57 176.43 2d1u h GLU 47 N 0.47 -0.12 -0.18 4.17 5.08 -1.99 -2.01 114.58 119.99 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 -0.03 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 2d1u h GLU 47 CO -0.03 0.41 -0.10 1.03 -1.00 0.00 0.00 179.01 179.32 2d1u h SER 48 N -0.82 -0.34 -0.49 1.42 0.87 -1.88 -1.91 113.55 110.40 2d1u h SER 48 Ca -0.01 0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 2d1u h SER 48 Cb 0.59 0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.71 2d1u h SER 48 CO 0.02 -0.14 0.26 1.23 -0.53 0.00 0.00 176.83 177.67 2d1u h GLY 49 N -0.09 0.75 0.23 5.77 0.00 -0.49 -2.06 103.07 107.17 2d1u h GLY 49 Ca 0.10 -0.35 0.05 0.00 0.00 0.00 0.00 47.33 47.13 2d1u h GLY 49 CO -0.24 0.34 -0.26 -2.00 0.00 0.00 0.00 176.54 174.37 2d1u h LEU 50 N 0.65 -0.81 -2.13 3.11 5.85 -0.93 0.90 115.31 121.95 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 0.08 0.36 -0.00 0.00 0.37 0.00 0.00 40.66 41.47 2d1u h LEU 50 CO -0.02 -0.31 -0.08 1.56 -0.34 0.00 0.00 178.44 179.25 2d1u h GLN 51 N -0.32 0.00 0.00 1.25 1.08 -1.26 -1.40 115.11 114.46 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 -0.33 0.08 -0.52 0.37 -0.95 0.00 0.00 178.83 177.48 2d1u h GLN 52 N 0.00 0.00 0.20 1.46 -0.00 -0.16 0.01 115.11 116.62 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 27.70 2d1u h GLN 52 CO 0.01 0.52 -0.09 -0.07 0.00 0.00 0.00 178.83 179.19 2d1u h LEU 53 N 0.00 -0.22 -0.06 -2.39 -0.00 0.02 -3.25 115.31 109.41 2d1u h LEU 53 Ca -0.01 -0.28 0.00 0.00 -0.00 0.00 0.00 57.88 57.59 2d1u h LEU 53 Cb 1.18 0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.90 2d1u h LEU 53 CO 0.07 0.31 -0.03 0.00 -0.00 0.00 0.00 178.44 178.78 2d1u n LEU 54 N -4.95 0.13 -4.62 1.67 -0.00 -1.13 -2.74 117.00 105.36 2d1u n LEU 54 Ca -0.07 0.19 -0.56 0.00 -0.00 0.00 0.00 56.01 55.56 2d1u n LEU 54 Cb 0.25 -0.24 -0.08 0.00 -0.00 0.00 0.00 43.42 43.35 2d1u n LEU 54 CO 0.23 0.02 1.47 -0.67 -0.00 0.00 0.00 177.39 178.44 2d1u n ASP 55 N -1.18 2.21 0.00 1.45 -0.08 -0.01 -3.67 116.55 115.26 2d1u n ASP 55 Ca 0.15 0.90 0.00 0.00 -1.51 0.00 0.00 54.79 54.33 2d1u n ASP 55 Cb 0.24 -1.15 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 5.00 0.22 0.72 0.27 0.00 -1.26 -4.75 105.19 105.38 2d1u n GLY 56 Ca 0.32 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.33 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 1.07 -0.22 1.61 3.41 -1.24 -5.13 113.62 113.12 2d1u n SER 57 Ca 0.00 0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 2d1u n SER 57 Cb 0.00 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 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 3.06 -0.45 3.43 5.00 0.00 -1.26 -5.12 105.19 109.85 2d1u n GLY 58 Ca -0.02 -0.71 -0.22 0.00 0.00 0.00 0.00 46.02 45.07 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 1.92 -0.03 0.99 1.02 -1.26 -4.57 118.68 116.75 2d1u s LEU 59 Ca 0.00 -1.55 0.01 0.00 0.02 0.00 0.00 54.13 52.61 2d1u s LEU 59 Cb 0.00 -0.08 -0.03 0.00 0.02 0.00 0.00 46.19 46.10 2d1u s LEU 59 CO 0.00 -0.82 -0.02 0.00 0.02 0.00 0.00 176.35 175.53 2d1u s GLN 60 N -3.81 2.80 -0.07 1.70 -2.07 -0.58 -4.97 119.66 112.65 2d1u s GLN 60 Ca 0.31 -0.56 0.02 0.00 -1.82 0.00 0.00 55.36 53.31 2d1u s GLN 60 Cb 0.05 -2.67 0.01 0.00 -1.09 0.00 0.00 33.01 29.32 2d1u s GLN 60 CO 0.15 0.65 -0.14 0.08 -1.32 0.00 0.00 175.29 174.71 2d1u s VAL 61 N -0.98 1.27 0.00 3.63 1.01 -1.26 -0.67 120.40 123.39 2d1u s VAL 61 Ca 0.17 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.59 2d1u s VAL 61 Cb -0.11 -1.15 -0.00 0.00 0.00 0.00 0.00 36.38 35.12 2d1u s VAL 61 CO 0.06 0.39 -0.00 -1.59 0.00 0.00 0.00 175.10 173.96 2d1u s LYS 62 N 0.65 0.04 0.82 2.72 0.00 -1.02 -4.95 119.74 117.99 2d1u s LYS 62 Ca -0.15 -0.07 -0.11 0.00 0.00 0.00 0.00 55.97 55.65 2d1u s LYS 62 Cb -0.16 0.01 0.08 0.00 0.00 0.00 0.00 37.83 37.77 2d1u s LYS 62 CO 0.04 -0.01 1.09 -1.25 0.00 0.00 0.00 175.35 175.23 2d1u s PRO 63 N -0.17 1.89 0.00 1.78 0.04 -1.26 -1.80 135.00 135.48 2d1u s PRO 63 Ca -0.02 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.07 2d1u s PRO 63 Cb -0.01 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.66 2d1u s PRO 63 CO -0.00 -1.86 0.00 1.28 0.04 0.00 0.00 177.00 176.46 2d1u n LEU 64 N -3.66 1.15 0.00 -3.56 4.77 0.27 -4.88 117.00 111.09 2d1u n LEU 64 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 2d1u n LEU 64 Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 2d1u n LEU 64 CO 0.54 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 2d1u n GLY 65 N 2.52 2.09 2.62 -0.72 0.00 -1.23 -4.99 105.19 105.49 2d1u n GLY 65 Ca 0.00 0.20 -0.07 0.00 0.00 0.00 0.00 46.02 46.15 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 -5.35 -2.69 1.61 4.05 -1.26 -3.02 115.26 108.61 2d1u n ASN 66 Ca 0.00 -0.34 -0.11 0.00 0.45 0.00 0.00 54.58 54.59 2d1u n ASN 66 Cb 0.00 -3.72 -0.01 0.00 1.23 0.00 0.00 39.78 37.29 2d1u n ASN 66 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 2d1u n ASN 67 N -2.29 -2.78 -4.49 1.20 4.05 -1.26 -4.53 115.26 105.17 2d1u n ASN 67 Ca -0.03 0.16 -0.41 0.00 0.45 0.00 0.00 54.58 54.75 2d1u n ASN 67 Cb 0.55 -2.40 -0.11 0.00 1.23 0.00 0.00 39.78 39.06 2d1u n ASN 67 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 2d1u s SER 68 N -2.18 5.97 0.20 1.20 0.15 -1.17 -0.96 113.70 116.92 2d1u s SER 68 Ca 0.09 -0.60 0.07 0.00 0.70 0.00 0.00 55.95 56.21 2d1u s SER 68 Cb -0.05 -2.11 -0.04 0.00 -1.71 0.00 0.00 66.02 62.11 2d1u s SER 68 CO 0.12 -0.29 0.08 0.26 1.20 0.00 0.00 173.24 174.61 2d1u s TRP 69 N 1.68 2.97 0.04 3.44 0.52 -0.31 0.93 118.94 128.21 2d1u s TRP 69 Ca 0.05 -0.11 0.02 0.00 0.02 0.00 0.00 56.10 56.09 2d1u s TRP 69 Cb -0.18 -1.40 -0.02 0.00 -1.15 0.00 0.00 33.47 30.72 2d1u s TRP 69 CO 0.09 0.53 -0.08 -0.08 0.02 0.00 0.00 176.95 177.44 2d1u s THR 70 N -1.91 0.52 -0.24 2.01 -1.32 -0.75 -0.07 115.64 113.89 2d1u s THR 70 Ca 0.30 -1.07 -0.09 0.00 -1.21 0.00 0.00 61.69 59.62 2d1u s THR 70 Cb -0.09 -0.59 -0.04 0.00 -1.51 0.00 0.00 72.50 70.27 2d1u s THR 70 CO 0.22 -0.39 0.13 -0.76 -2.21 0.00 0.00 174.62 171.61 2d1u s LEU 71 N -1.57 3.90 -0.04 9.08 2.01 -1.25 -2.45 118.68 128.37 2d1u s LEU 71 Ca -0.10 0.02 0.05 0.00 0.01 0.00 0.00 54.13 54.11 2d1u s LEU 71 Cb -0.10 -2.04 -0.01 0.00 0.01 0.00 0.00 46.19 44.05 2d1u s LEU 71 CO 0.00 0.05 -0.20 -0.70 1.01 0.00 0.00 176.35 176.52 2d1u s GLU 72 N 1.13 1.88 0.19 1.70 2.56 0.15 -4.83 118.70 121.49 2d1u s GLU 72 Ca 0.06 -0.70 -0.30 0.00 0.00 0.00 0.00 54.97 54.03 2d1u s GLU 72 Cb -0.14 -1.67 -0.09 0.00 2.00 0.00 0.00 34.13 34.23 2d1u s GLU 72 CO 0.05 0.33 1.31 -1.25 -0.56 0.00 0.00 175.26 175.13 2d1u s PRO 73 N -0.15 4.39 0.25 4.30 0.04 -1.26 -1.53 135.00 141.04 2d1u s PRO 73 Ca -0.00 2.04 0.05 0.00 0.04 0.00 0.00 61.00 63.13 2d1u s PRO 73 Cb -0.11 -3.20 -0.03 0.00 0.04 0.00 0.00 34.50 31.20 2d1u s PRO 73 CO 0.02 -0.26 0.36 0.00 0.04 0.00 0.00 177.00 177.16 2d1u s ALA 74 N 0.17 3.94 0.58 8.56 0.00 -1.26 -4.90 121.76 128.85 2d1u s ALA 74 Ca 0.57 -1.25 -0.18 0.00 0.00 0.00 0.00 51.96 51.10 2d1u s ALA 74 Cb -0.36 -1.71 -0.04 0.00 0.00 0.00 0.00 23.12 21.01 2d1u s ALA 74 CO 0.38 0.22 1.12 -1.25 0.00 0.00 0.00 175.76 176.23 2d1u s PRO 75 N -3.99 3.17 0.80 0.00 0.04 -1.26 -5.02 135.00 128.74 2d1u s PRO 75 Ca 0.35 1.53 -0.11 0.00 0.04 0.00 0.00 61.00 62.81 2d1u s PRO 75 Cb -0.09 -1.99 0.07 0.00 0.04 0.00 0.00 34.50 32.54 2d1u s PRO 75 CO 0.29 -0.98 1.10 0.00 0.04 0.00 0.00 177.00 177.44 2d1u s ALA 76 N -1.97 2.10 0.95 8.56 0.00 -1.26 -5.02 121.76 125.11 2d1u s ALA 76 Ca 0.71 0.26 -0.12 0.00 0.00 0.00 0.00 51.96 52.81 2d1u s ALA 76 Cb -0.23 -3.28 0.16 0.00 0.00 0.00 0.00 23.12 19.77 2d1u s ALA 76 CO 0.32 -1.93 1.09 -1.25 0.00 0.00 0.00 175.76 173.99 2d1u s PRO 77 N -4.88 0.80 -0.66 0.00 0.04 -1.26 -5.01 135.00 124.03 2d1u s PRO 77 Ca 0.62 0.66 -0.09 0.00 0.04 0.00 0.00 61.00 62.23 2d1u s PRO 77 Cb -0.18 -1.77 0.17 0.00 0.04 0.00 0.00 34.50 32.77 2d1u s PRO 77 CO 0.56 -2.52 0.55 0.21 0.04 0.00 0.00 177.00 175.84 2d1u s LYS 78 N -4.95 2.96 0.34 4.56 2.47 -1.26 -5.06 119.74 118.80 2d1u s LYS 78 Ca 0.64 -2.28 -0.29 0.00 -1.56 0.00 0.00 55.97 52.49 2d1u s LYS 78 Cb -0.18 -4.07 -0.11 0.00 -1.46 0.00 0.00 37.83 32.00 2d1u s LYS 78 CO 0.57 -1.23 1.52 -2.00 0.16 0.00 0.00 175.35 174.38 2d1u s GLU 79 N 0.45 4.12 0.32 4.03 2.56 -1.26 -5.01 118.70 123.91 2d1u s GLU 79 Ca 0.14 2.56 0.06 0.00 0.00 0.00 0.00 54.97 57.73 2d1u s GLU 79 Cb -0.18 -3.00 -0.03 0.00 2.00 0.00 0.00 34.13 32.92 2d1u s GLU 79 CO -0.04 -0.56 0.26 0.16 -0.56 0.00 0.00 175.26 174.51 2d1u s ASP 80 N 0.12 1.54 -0.96 -1.70 1.47 -1.26 -5.07 116.67 110.81 2d1u s ASP 80 Ca 0.57 -1.72 -0.01 0.00 1.18 0.00 0.00 52.55 52.57 2d1u s ASP 80 Cb -0.47 0.54 0.33 0.00 -0.34 0.00 0.00 42.92 42.98 2d1u s ASP 80 CO 0.56 -1.04 1.87 0.00 0.68 0.00 0.00 175.17 177.25 2d1u n ALA 81 N -0.59 6.19 -3.90 2.11 0.00 -1.26 -4.93 120.51 118.13 2d1u n ALA 81 Ca 0.07 -4.46 -0.33 0.00 0.00 0.00 0.00 53.44 48.72 2d1u n ALA 81 Cb 0.63 -2.10 -0.15 0.00 0.00 0.00 0.00 19.45 17.84 2d1u n ALA 81 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2d1u s LEU 82 N -4.24 3.48 0.46 0.00 0.20 -1.26 -5.11 118.68 112.22 2d1u s LEU 82 Ca 0.43 -1.26 -0.21 0.00 0.69 0.00 0.00 54.13 53.79 2d1u s LEU 82 Cb 0.27 -1.61 -0.09 0.00 -0.43 0.00 0.00 46.19 44.33 2d1u s LEU 82 CO -0.22 -0.19 1.00 0.28 -0.29 0.00 0.00 176.35 176.93 2d1u s THR 83 N 1.18 4.02 -0.10 3.68 -1.32 -1.26 -5.06 115.64 116.78 2d1u s THR 83 Ca -0.06 1.27 -0.03 0.00 -1.21 0.00 0.00 61.69 61.66 2d1u s THR 83 Cb -0.19 -3.51 0.04 0.00 -1.51 0.00 0.00 72.50 67.33 2d1u s THR 83 CO -0.04 -0.26 0.05 -0.69 -2.21 0.00 0.00 174.62 171.47 2d1u s VAL 84 N -2.05 0.07 -0.17 5.08 1.01 -1.26 -5.11 120.40 117.98 2d1u s VAL 84 Ca 0.65 0.08 -0.36 0.00 0.00 0.00 0.00 61.98 62.35 2d1u s VAL 84 Cb -0.14 -0.45 -0.13 0.00 0.00 0.00 0.00 36.38 35.66 2d1u s VAL 84 CO 0.17 0.02 1.88 0.52 0.00 0.00 0.00 175.10 177.70 2d1u n VAL 85 N 5.23 0.47 -1.78 2.92 0.31 -1.26 -4.88 118.33 119.34 2d1u n VAL 85 Ca -0.06 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 2d1u n VAL 85 Cb 0.49 -1.69 0.00 0.00 -0.91 0.00 0.00 33.84 31.73 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 4.59 4.40 3.94 2.92 0.00 -1.26 -5.17 105.19 114.60 2d1u n GLY 86 Ca 0.26 -0.90 -0.24 0.00 0.00 0.00 0.00 46.02 45.14 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 1.47 5.39 0.16 1.61 1.01 -1.26 -5.11 116.67 119.94 2d1u s ASP 87 Ca 0.00 0.40 0.00 0.00 0.71 0.00 0.00 52.55 53.66 2d1u s ASP 87 Cb 0.00 -1.34 0.00 0.00 1.01 0.00 0.00 42.92 42.59 2d1u s ASP 87 CO 0.00 -1.13 0.00 0.79 0.21 0.00 0.00 175.17 175.04 2d1u n TRP 88 N -2.50 -2.98 0.05 4.23 7.02 -1.26 -5.04 117.44 116.96 2d1u n TRP 88 Ca 0.05 0.00 -0.20 0.00 -1.02 0.00 0.00 57.50 56.33 2d1u n TRP 88 Cb 0.59 0.00 -0.13 0.00 -2.42 0.00 0.00 31.31 29.35 2d1u n TRP 88 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 2d1u h LEU 89 N 0.00 0.66 -2.74 -0.99 5.85 -2.09 -3.49 115.31 112.51 2d1u h LEU 89 Ca 0.00 -0.83 -0.07 0.00 0.84 0.00 0.00 57.88 57.81 2d1u h LEU 89 Cb 0.00 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 40.83 2d1u h LEU 89 CO 0.00 1.43 -0.92 0.61 -0.34 0.00 0.00 178.44 179.21 2d1u n GLY 90 N 1.34 -1.70 2.81 3.75 0.00 -1.26 -4.97 105.19 105.16 2d1u n GLY 90 Ca -0.13 0.68 -0.29 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.68 4.02 0.34 1.61 -4.77 -1.26 -5.09 116.67 109.84 2d1u s ASP 91 Ca 0.13 -3.21 0.02 0.00 -3.30 0.00 0.00 52.55 46.19 2d1u s ASP 91 Cb -0.02 -1.35 0.02 0.00 -1.09 0.00 0.00 42.92 40.47 2d1u s ASP 91 CO 0.61 -0.18 0.16 0.00 0.70 0.00 0.00 175.17 176.45 2d1u n ALA 92 N 2.79 0.44 -3.59 2.11 0.00 -1.26 -5.17 120.51 115.84 2d1u n ALA 92 Ca 0.14 -1.45 -0.09 0.00 0.00 0.00 0.00 53.44 52.04 2d1u n ALA 92 Cb 0.35 0.68 -0.02 0.00 0.00 0.00 0.00 19.45 20.46 2d1u n ALA 92 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2d1u n ARG 93 N -1.12 0.33 -4.88 0.00 1.85 -1.26 -5.17 116.66 106.41 2d1u n ARG 93 Ca -0.06 -1.57 -0.27 0.00 -1.00 0.00 0.00 57.85 54.94 2d1u n ARG 93 Cb 0.41 1.45 -0.16 0.00 -1.05 0.00 0.00 32.46 33.10 2d1u n ARG 93 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 2d1u s GLU 94 N -2.51 2.05 1.20 2.89 -6.30 -1.26 -5.13 118.70 109.63 2d1u s GLU 94 Ca 0.17 -0.63 -0.15 0.00 -2.50 0.00 0.00 54.97 51.86 2d1u s GLU 94 Cb -0.00 -1.70 0.27 0.00 0.00 0.00 0.00 34.13 32.70 2d1u s GLU 94 CO 0.12 0.19 0.80 -1.71 0.02 0.00 0.00 175.26 174.68 2d1u n ASN 95 N 3.35 -2.11 -4.56 -1.70 5.15 -1.26 -5.05 115.26 109.08 2d1u n ASN 95 Ca -0.19 -0.23 -0.26 0.00 -0.60 0.00 0.00 54.58 53.29 2d1u n ASN 95 Cb 0.53 -1.17 -0.11 0.00 -0.53 0.00 0.00 39.78 38.50 2d1u n ASN 95 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2d1u s ASP 96 N -2.29 3.65 0.20 1.20 2.15 -1.26 -5.16 116.67 115.16 2d1u s ASP 96 Ca 0.66 -1.27 -0.20 0.00 0.43 0.00 0.00 52.55 52.17 2d1u s ASP 96 Cb -0.23 -0.34 0.04 0.00 -0.30 0.00 0.00 42.92 42.09 2d1u s ASP 96 CO 0.66 -0.33 0.58 -0.22 -0.17 0.00 0.00 175.17 175.69 2d1u s LEU 97 N -3.63 -0.21 -1.35 -1.34 2.96 -1.26 -4.96 118.68 108.90 2d1u s LEU 97 Ca 0.33 -0.32 -0.07 0.00 -0.22 0.00 0.00 54.13 53.86 2d1u s LEU 97 Cb 0.06 2.41 0.02 0.00 0.50 0.00 0.00 46.19 49.18 2d1u s LEU 97 CO 0.17 -1.07 1.06 1.21 -1.32 0.00 0.00 176.35 176.40 2d1u n GLU 98 N -0.37 -6.98 -1.72 1.98 4.07 -1.26 -4.86 120.64 111.50 2d1u n GLU 98 Ca -0.12 0.78 -0.43 0.00 -0.06 0.00 0.00 57.16 57.33 2d1u n GLU 98 Cb 0.63 -5.75 -0.03 0.00 -0.06 0.00 0.00 31.44 26.23 2d1u n GLU 98 CO 0.00 0.00 0.00 -1.01 -0.06 0.00 0.00 177.13 176.06 2d1u s HIS 99 N -3.36 1.36 0.04 4.31 3.76 -1.26 -4.97 115.29 115.17 2d1u s HIS 99 Ca 0.40 0.25 0.08 0.00 -0.15 0.00 0.00 55.06 55.65 2d1u s HIS 99 Cb -0.19 -4.04 -0.03 0.00 1.11 0.00 0.00 32.58 29.44 2d1u s HIS 99 CO 0.75 -4.31 -0.24 -1.01 -0.85 0.00 0.00 174.74 169.08 2d1u s HIS 100 N 6.69 2.10 -0.13 1.40 3.76 -1.26 -5.13 115.29 122.71 2d1u s HIS 100 Ca 0.92 -0.40 -0.30 0.00 -0.15 0.00 0.00 55.06 55.13 2d1u s HIS 100 Cb -0.34 -1.26 0.12 0.00 1.11 0.00 0.00 32.58 32.21 2d1u s HIS 100 CO 0.36 0.10 0.99 -3.38 -0.85 0.00 0.00 174.74 171.96 2d1u s HIS 101 N -0.78 -0.35 -1.38 1.40 -3.43 -1.26 -4.98 115.29 104.52 2d1u s HIS 101 Ca 0.10 0.51 -0.09 0.00 -0.80 0.00 0.00 55.06 54.77 2d1u s HIS 101 Cb -0.09 0.47 0.02 0.00 -1.43 0.00 0.00 32.58 31.55 2d1u s HIS 101 CO 0.02 -0.37 1.15 1.58 -2.00 0.00 0.00 174.74 175.12 2d1u n HIS 102 N 0.48 -2.78 -2.33 0.38 -0.00 -1.26 -4.99 115.22 104.72 2d1u n HIS 102 Ca -0.09 1.00 -0.26 0.00 -0.00 0.00 0.00 57.72 58.37 2d1u n HIS 102 Cb 0.59 -4.89 0.15 0.00 -0.00 0.00 0.00 29.99 25.84 2d1u n HIS 102 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2d1u s HIS 103 N -3.32 1.36 -2.05 1.57 -0.00 -1.26 -5.36 115.29 106.22 2d1u s HIS 103 Ca 0.58 -0.11 0.32 0.00 -0.00 0.00 0.00 55.06 55.85 2d1u s HIS 103 Cb -0.26 -3.49 1.82 0.00 -0.00 0.00 0.00 32.58 30.65 2d1u s HIS 103 CO 0.75 -2.22 2.18 1.58 -0.00 0.00 0.00 174.74 177.02