#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 4.19 -0.15 0.00 -0.44 -1.26 -3.01 119.66 118.98 2d1u s GLN 2 Ca 0.00 2.26 0.00 0.00 -2.50 0.00 0.00 55.36 55.12 2d1u s GLN 2 Cb 0.00 -3.88 0.03 0.00 -1.64 0.00 0.00 33.01 27.52 2d1u s GLN 2 CO 0.00 -0.81 -0.10 0.08 0.50 0.00 0.00 175.29 174.96 2d1u s VAL 3 N 3.63 1.38 -0.25 1.34 1.01 0.59 -4.90 120.40 123.19 2d1u s VAL 3 Ca 0.75 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 62.10 2d1u s VAL 3 Cb -0.36 -1.40 0.05 0.00 0.00 0.00 0.00 36.38 34.67 2d1u s VAL 3 CO 0.31 0.31 -0.09 0.21 0.00 0.00 0.00 175.10 175.84 2d1u s ASN 4 N 1.55 4.33 -0.04 3.32 2.47 -1.26 -2.58 114.94 122.72 2d1u s ASN 4 Ca 0.03 -1.19 0.06 0.00 0.42 0.00 0.00 52.86 52.18 2d1u s ASN 4 Cb -0.14 -1.59 -0.02 0.00 -1.45 0.00 0.00 41.25 38.05 2d1u s ASN 4 CO -0.09 -0.17 -0.20 -0.63 -3.72 0.00 0.00 177.10 172.29 2d1u s ILE 5 N 1.19 2.51 -0.10 -5.21 1.01 -0.39 -4.91 121.20 115.31 2d1u s ILE 5 Ca -0.05 -0.92 -0.22 0.00 0.00 0.00 0.00 60.65 59.45 2d1u s ILE 5 Cb -0.18 -1.94 -0.03 0.00 0.01 0.00 0.00 42.46 40.31 2d1u s ILE 5 CO -0.05 0.58 0.67 0.00 0.00 0.00 0.00 174.94 176.14 2d1u s ALA 6 N -0.54 3.39 1.00 9.38 0.00 -1.26 -2.76 121.76 130.96 2d1u s ALA 6 Ca 0.08 0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.07 2d1u s ALA 6 Cb -0.11 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 20.08 2d1u s ALA 6 CO 0.01 -0.18 0.00 -0.35 0.00 0.00 0.00 175.76 175.24 2d1u n PRO 7 N 4.00 0.20 0.00 0.00 -0.04 -1.26 -4.72 135.00 133.19 2d1u n PRO 7 Ca -0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 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 0.86 0.00 0.55 0.00 -1.24 -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 -0.35 1.61 7.64 -1.26 -4.79 113.62 116.47 2d1u n SER 9 Ca 0.00 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.92 2d1u n SER 9 Cb 0.00 0.00 0.19 0.00 -1.01 0.00 0.00 64.21 63.39 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 0.93 -0.06 -3.43 6.46 -1.85 0.86 115.31 118.23 2d1u h LEU 10 Ca 0.00 0.03 0.03 0.00 -0.12 0.00 0.00 57.88 57.81 2d1u h LEU 10 Cb 0.00 -0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 39.74 2d1u h LEU 10 CO 0.00 0.56 -0.10 -0.78 -0.62 0.00 0.00 178.44 177.50 2d1u h ASP 11 N 1.04 -0.29 0.01 1.25 3.58 -1.96 -0.82 116.42 119.24 2d1u h ASP 11 Ca 0.45 0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.95 2d1u h ASP 11 Cb 0.30 0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.49 2d1u h ASP 11 CO -0.21 -0.13 -0.01 0.11 -2.88 0.00 0.00 179.24 176.12 2d1u h LYS 12 N -0.13 -0.02 -1.00 0.28 1.79 -1.82 -2.60 116.57 113.06 2d1u h LYS 12 Ca 0.06 0.00 0.24 0.00 -2.18 0.00 0.00 60.65 58.77 2d1u h LYS 12 Cb 0.22 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 30.78 2d1u h LYS 12 CO -0.14 0.29 0.64 0.00 -1.08 0.00 0.00 179.45 179.16 2d1u h ALA 13 N 0.66 2.08 -0.12 3.86 0.00 -0.70 0.36 119.26 125.38 2d1u h ALA 13 Ca -0.00 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2d1u h ALA 13 Cb 0.32 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2d1u h ALA 13 CO 0.00 -0.46 -0.07 1.25 0.00 0.00 0.00 179.25 179.97 2d1u h LEU 14 N 0.49 0.28 -1.14 0.00 5.85 -0.99 -2.87 115.31 116.93 2d1u h LEU 14 Ca 0.57 -0.43 -0.08 0.00 0.84 0.00 0.00 57.88 58.79 2d1u h LEU 14 Cb 1.30 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 2d1u h LEU 14 CO -0.31 0.65 -0.22 0.78 -0.34 0.00 0.00 178.44 179.00 2d1u h ASN 15 N -0.09 0.33 0.51 1.25 2.35 -0.69 0.16 115.58 119.39 2d1u h ASN 15 Ca 0.03 -0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.66 2d1u h ASN 15 Cb 0.55 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.83 2d1u h ASN 15 CO 0.02 0.56 -0.29 1.56 -1.65 0.00 0.00 177.43 177.63 2d1u h GLN 16 N 0.30 -0.72 -0.04 0.81 1.08 -0.31 -0.82 115.11 115.41 2d1u h GLN 16 Ca 0.05 0.05 -0.18 0.00 -1.45 0.00 0.00 58.65 57.12 2d1u h GLN 16 Cb 0.56 0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 28.15 2d1u h GLN 16 CO 0.04 -0.48 -0.77 0.10 -0.95 0.00 0.00 178.83 176.77 2d1u h TYR 17 N -0.75 0.42 -0.53 2.96 -0.00 -1.46 -2.86 116.97 114.75 2d1u h TYR 17 Ca -0.06 -0.20 0.04 0.00 0.00 0.00 0.00 58.73 58.51 2d1u h TYR 17 Cb 0.60 -0.06 -0.04 0.00 0.00 0.00 0.00 36.73 37.23 2d1u h TYR 17 CO -0.08 0.96 0.29 0.00 -0.00 0.00 0.00 178.16 179.33 2d1u h ALA 18 N 0.99 0.68 0.00 0.10 0.00 -0.57 -1.16 119.26 119.30 2d1u h ALA 18 Ca -0.03 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2d1u h ALA 18 Cb 1.35 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 2d1u h ALA 18 CO 0.12 -0.04 -0.28 0.00 0.00 0.00 0.00 179.25 179.05 2d1u h ALA 19 N 1.27 0.95 0.00 0.00 0.00 -1.17 -1.99 119.26 118.32 2d1u h ALA 19 Ca 0.23 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 2d1u h ALA 19 Cb 0.10 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2d1u h ALA 19 CO -0.14 0.35 -0.46 0.45 0.00 0.00 0.00 179.25 179.45 2d1u h HIS 20 N 0.00 0.00 0.00 0.00 -0.00 -1.04 -3.36 115.15 110.75 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 0.90 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.31 2d1u h HIS 20 CO 0.00 0.46 -0.31 0.43 -0.00 0.00 0.00 177.93 178.51 2d1u n SER 21 N -3.48 1.11 0.00 2.45 7.64 -0.54 -5.05 113.62 115.74 2d1u n SER 21 Ca 0.00 0.49 0.00 0.00 1.01 0.00 0.00 58.87 60.37 2d1u n SER 21 Cb 0.59 -0.73 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 2d1u n SER 21 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d1u n GLY 22 N 1.67 1.79 3.55 0.23 0.00 -0.76 -5.05 105.19 106.61 2d1u n GLY 22 Ca -0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.72 2d1u n GLY 22 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2d1u s PHE 23 N -1.79 2.22 0.07 1.61 -0.71 -1.24 -5.09 117.98 113.04 2d1u s PHE 23 Ca 0.00 -0.83 0.03 0.00 -1.04 0.00 0.00 56.93 55.09 2d1u s PHE 23 Cb 0.00 -1.53 -0.04 0.00 -1.21 0.00 0.00 43.02 40.24 2d1u s PHE 23 CO 0.00 0.22 0.05 0.99 -1.34 0.00 0.00 175.22 175.14 2d1u s THR 24 N -3.00 4.37 -0.00 -4.49 2.01 -1.16 -4.78 115.64 108.59 2d1u s THR 24 Ca 0.34 -0.79 0.01 0.00 0.31 0.00 0.00 61.69 61.55 2d1u s THR 24 Cb 0.09 -3.08 -0.00 0.00 0.01 0.00 0.00 72.50 69.51 2d1u s THR 24 CO 0.16 0.16 -0.03 -0.22 -0.69 0.00 0.00 174.62 174.00 2d1u s LEU 25 N -2.27 2.00 -0.31 4.42 2.96 -1.26 -1.72 118.68 122.50 2d1u s LEU 25 Ca 0.27 -0.05 0.03 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 0.20 0.03 0.00 -0.55 -1.32 0.00 0.00 176.35 174.71 2d1u s SER 26 N -0.05 4.54 -0.02 3.68 0.15 0.70 -4.94 113.70 117.77 2d1u s SER 26 Ca 0.01 -1.84 0.03 0.00 0.70 0.00 0.00 55.95 54.85 2d1u s SER 26 Cb -0.01 -1.51 -0.00 0.00 -1.71 0.00 0.00 66.02 62.79 2d1u s SER 26 CO -0.00 -0.32 -0.10 0.54 1.20 0.00 0.00 173.24 174.55 2d1u s VAL 27 N 1.06 0.85 -0.83 4.45 0.11 -1.26 -3.64 120.40 121.13 2d1u s VAL 27 Ca 0.04 -0.43 -0.25 0.00 -2.93 0.00 0.00 61.98 58.41 2d1u s VAL 27 Cb -0.19 -0.73 0.02 0.00 -1.53 0.00 0.00 36.38 33.95 2d1u s VAL 27 CO -0.09 0.25 1.53 -1.81 -3.33 0.00 0.00 175.10 171.66 2d1u s ASP 28 N -0.06 5.96 0.00 3.54 1.01 -1.26 -4.80 116.67 121.06 2d1u s ASP 28 Ca 0.01 -0.67 0.21 0.00 0.71 0.00 0.00 52.55 52.82 2d1u s ASP 28 Cb -0.06 -2.56 1.04 0.00 1.01 0.00 0.00 42.92 42.35 2d1u s ASP 28 CO 0.00 -1.96 1.69 0.00 0.21 0.00 0.00 175.17 175.11 2d1u n ALA 29 N 10.49 2.08 -0.18 5.23 0.00 -1.26 -3.63 120.51 133.25 2d1u n ALA 29 Ca 0.21 -0.09 -0.01 0.00 0.00 0.00 0.00 53.44 53.55 2d1u n ALA 29 Cb 0.50 -1.35 0.08 0.00 0.00 0.00 0.00 19.45 18.68 2d1u n ALA 29 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2d1u h SER 30 N 0.00 -0.22 1.03 0.00 0.87 -1.97 0.27 113.55 113.54 2d1u h SER 30 Ca 0.00 0.13 -0.14 0.00 -1.23 0.00 0.00 61.79 60.55 2d1u h SER 30 Cb 0.25 0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.42 2d1u h SER 30 CO 0.00 -0.08 -0.69 -0.07 -0.53 0.00 0.00 176.83 175.46 2d1u h LEU 31 N 0.13 0.00 -1.04 2.23 4.07 -2.00 -3.18 115.31 115.53 2d1u h LEU 31 Ca 0.28 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 58.14 2d1u h LEU 31 Cb 0.44 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.16 2d1u h LEU 31 CO -0.46 0.69 -0.47 0.74 -1.08 0.00 0.00 178.44 177.86 2d1u h THR 32 N 0.00 1.34 -0.96 0.22 2.02 -1.22 -3.43 112.91 110.88 2d1u h THR 32 Ca -0.01 -1.61 -0.55 0.00 0.77 0.00 0.00 66.41 65.02 2d1u h THR 32 Cb 1.39 1.85 -0.03 0.00 -1.74 0.00 0.00 68.15 69.62 2d1u h THR 32 CO 0.09 0.46 1.60 0.54 0.37 0.00 0.00 175.52 178.58 2d1u n ARG 33 N -3.98 0.75 0.00 6.66 5.12 0.78 -3.01 116.66 122.98 2d1u n ARG 33 Ca -0.02 0.10 0.00 0.00 -1.93 0.00 0.00 57.85 56.01 2d1u n ARG 33 Cb 0.49 -2.53 0.00 0.00 -1.16 0.00 0.00 32.46 29.26 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 6.35 1.06 3.65 -0.13 0.00 -1.26 -5.06 105.19 109.80 2d1u n GLY 34 Ca 0.47 0.01 -0.29 0.00 0.00 0.00 0.00 46.02 46.21 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 2.04 0.35 1.61 -2.85 -1.16 -5.16 119.74 114.57 2d1u s LYS 35 Ca 0.00 -2.26 0.08 0.00 -1.00 0.00 0.00 55.97 52.79 2d1u s LYS 35 Cb 0.00 -1.25 -0.03 0.00 -2.06 0.00 0.00 37.83 34.49 2d1u s LYS 35 CO 0.00 -0.33 0.31 1.14 0.10 0.00 0.00 175.35 176.57 2d1u s GLN 36 N -3.81 2.68 0.24 1.78 0.00 -1.26 -4.35 119.66 114.94 2d1u s GLN 36 Ca 0.18 -1.35 0.09 0.00 -0.00 0.00 0.00 55.36 54.28 2d1u s GLN 36 Cb 0.04 -2.45 -0.04 0.00 0.00 0.00 0.00 33.01 30.56 2d1u s GLN 36 CO 0.09 0.04 -0.01 -1.54 0.00 0.00 0.00 175.29 173.87 2d1u s SER 37 N -4.02 4.55 -0.09 12.60 1.04 -1.26 -4.77 113.70 121.76 2d1u s SER 37 Ca 0.42 -0.60 -0.30 0.00 0.48 0.00 0.00 55.95 55.96 2d1u s SER 37 Cb -0.05 -0.86 -0.02 0.00 0.10 0.00 0.00 66.02 65.19 2d1u s SER 37 CO 0.27 0.03 1.13 0.21 0.98 0.00 0.00 173.24 175.85 2d1u s ASN 38 N -3.47 7.12 0.71 7.02 3.84 -1.23 -3.69 114.94 125.24 2d1u s ASN 38 Ca 0.30 1.68 0.00 0.00 0.21 0.00 0.00 52.86 55.05 2d1u s ASN 38 Cb -0.07 -2.56 0.00 0.00 -0.55 0.00 0.00 41.25 38.07 2d1u s ASN 38 CO 0.19 -0.55 0.00 0.61 -2.79 0.00 0.00 177.10 174.56 2d1u n GLY 39 N 3.28 -2.70 3.69 1.21 0.00 -1.26 -4.40 105.19 105.00 2d1u n GLY 39 Ca 0.10 -1.38 -0.23 0.00 0.00 0.00 0.00 46.02 44.52 2d1u n GLY 39 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2d1u s LEU 40 N 0.00 3.35 -0.29 0.99 2.96 -1.11 -4.60 118.68 119.98 2d1u s LEU 40 Ca 0.00 -0.53 0.04 0.00 -0.22 0.00 0.00 54.13 53.41 2d1u s LEU 40 Cb 0.00 -1.88 0.20 0.00 0.50 0.00 0.00 46.19 45.00 2d1u s LEU 40 CO 0.00 -0.00 0.64 -2.28 -1.32 0.00 0.00 176.35 173.38 2d1u s HIS 41 N -2.24 -1.71 -1.64 5.38 2.46 -1.07 -1.27 115.29 115.22 2d1u s HIS 41 Ca 0.31 1.08 0.00 0.00 0.47 0.00 0.00 55.06 56.92 2d1u s HIS 41 Cb -0.07 0.32 0.00 0.00 -0.13 0.00 0.00 32.58 32.70 2d1u s HIS 41 CO 0.21 -0.99 0.00 0.41 -2.47 0.00 0.00 174.74 171.90 2d1u n GLY 42 N 5.39 0.87 3.60 1.59 0.00 -1.13 -4.97 105.19 110.55 2d1u n GLY 42 Ca 0.05 -2.20 -0.43 0.00 0.00 0.00 0.00 46.02 43.44 2d1u n GLY 42 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2d1u s ASP 43 N -0.54 6.68 -0.11 1.61 2.15 -1.26 -0.30 116.67 124.89 2d1u s ASP 43 Ca 0.00 0.58 -0.06 0.00 0.43 0.00 0.00 52.55 53.50 2d1u s ASP 43 Cb 0.00 -2.46 0.05 0.00 -0.30 0.00 0.00 42.92 40.21 2d1u s ASP 43 CO 0.00 -0.83 0.27 -0.31 -0.17 0.00 0.00 175.17 174.12 2d1u s TYR 44 N 3.42 -0.37 1.37 -5.34 2.02 -1.16 -4.88 117.35 112.41 2d1u s TYR 44 Ca 0.37 0.86 -0.22 0.00 -0.37 0.00 0.00 57.07 57.72 2d1u s TYR 44 Cb -0.12 0.07 0.34 0.00 -0.40 0.00 0.00 41.96 41.85 2d1u s TYR 44 CO 0.18 -0.26 0.77 -3.47 -1.57 0.00 0.00 175.55 171.21 2d1u n ASP 45 N 4.31 -3.86 -0.08 2.29 2.03 -1.26 -4.13 116.55 115.85 2d1u n ASP 45 Ca -0.24 -0.75 -0.07 0.00 0.52 0.00 0.00 54.79 54.26 2d1u n ASP 45 Cb 0.53 -0.97 0.00 0.00 -0.72 0.00 0.00 41.12 39.97 2d1u n ASP 45 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 2d1u h VAL 46 N -3.43 0.82 -0.00 5.18 3.04 -1.96 0.31 116.25 120.20 2d1u h VAL 46 Ca -0.37 -0.04 -0.01 0.00 -1.01 0.00 0.00 66.70 65.26 2d1u h VAL 46 Cb 1.21 0.67 0.00 0.00 -2.01 0.00 0.00 31.29 31.16 2d1u h VAL 46 CO 0.23 0.02 -0.03 -0.33 -1.01 0.00 0.00 177.57 176.45 2d1u h GLU 47 N 0.13 0.03 -0.26 4.17 4.39 -1.99 -2.18 114.58 118.87 2d1u h GLU 47 Ca 0.14 -0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.88 2d1u h GLU 47 Cb 0.17 0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.77 2d1u h GLU 47 CO -0.22 0.76 -0.16 1.03 -1.16 0.00 0.00 179.01 179.26 2d1u h SER 48 N -0.70 -0.52 -0.33 1.42 0.87 -1.86 -1.61 113.55 110.83 2d1u h SER 48 Ca -0.00 0.11 -0.08 0.00 -1.23 0.00 0.00 61.79 60.59 2d1u h SER 48 Cb 0.77 0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.98 2d1u h SER 48 CO 0.01 -0.20 -0.05 1.23 -0.53 0.00 0.00 176.83 177.28 2d1u h GLY 49 N -0.14 0.78 0.65 5.77 0.00 -0.48 -2.45 103.07 107.20 2d1u h GLY 49 Ca 0.14 -0.54 0.01 0.00 0.00 0.00 0.00 47.33 46.94 2d1u h GLY 49 CO -0.34 0.50 -0.22 -2.00 0.00 0.00 0.00 176.54 174.48 2d1u h LEU 50 N 0.67 -0.60 -1.89 3.11 5.85 -0.65 -0.14 115.31 121.66 2d1u h LEU 50 Ca 0.12 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 2d1u h LEU 50 Cb 0.49 0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.74 2d1u h LEU 50 CO 0.03 -0.31 -0.11 1.56 -0.34 0.00 0.00 178.44 179.26 2d1u h GLN 51 N -0.42 0.00 0.00 1.25 1.08 -1.28 -1.84 115.11 113.89 2d1u h GLN 51 Ca 0.02 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.11 2d1u h GLN 51 Cb 0.43 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.85 2d1u h GLN 51 CO -0.11 0.11 -0.51 0.37 -0.95 0.00 0.00 178.83 177.75 2d1u h GLN 52 N 0.00 0.00 0.19 1.46 -0.00 -0.77 -0.95 115.11 115.04 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 0.35 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.83 2d1u h GLN 52 CO 0.01 0.51 -0.09 -0.07 0.00 0.00 0.00 178.83 179.19 2d1u h LEU 53 N 0.00 -0.22 0.00 -2.39 -0.00 -0.20 -3.24 115.31 109.27 2d1u h LEU 53 Ca -0.01 -0.29 0.00 0.00 -0.00 0.00 0.00 57.88 57.59 2d1u h LEU 53 Cb 1.21 0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.93 2d1u h LEU 53 CO 0.07 0.33 0.00 0.00 -0.00 0.00 0.00 178.44 178.83 2d1u n LEU 54 N -4.94 0.00 -4.59 1.67 -0.00 -1.13 -3.54 117.00 104.47 2d1u n LEU 54 Ca -0.07 0.22 -0.56 0.00 -0.00 0.00 0.00 56.01 55.59 2d1u n LEU 54 Cb 0.25 -0.22 -0.08 0.00 -0.00 0.00 0.00 43.42 43.37 2d1u n LEU 54 CO 0.22 -0.00 1.50 -0.67 -0.00 0.00 0.00 177.39 178.44 2d1u n ASP 55 N -1.22 2.10 0.00 1.45 2.03 -0.36 -3.75 116.55 116.81 2d1u n ASP 55 Ca 0.16 0.85 0.00 0.00 0.52 0.00 0.00 54.79 56.33 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 5.22 0.20 0.01 0.27 0.00 -1.26 -4.76 105.19 104.87 2d1u n GLY 56 Ca 0.34 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.35 2d1u n GLY 56 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2d1u n SER 57 N 0.00 4.48 -1.56 1.61 3.41 -1.25 -5.11 113.62 115.21 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 0.43 -0.00 0.00 -0.26 0.00 0.00 64.21 64.37 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 3.01 -2.93 3.47 5.00 0.00 -1.26 -5.12 105.19 107.36 2d1u n GLY 58 Ca -0.03 -0.23 -0.23 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.07 1.98 -0.06 0.99 1.02 -1.26 -4.81 118.68 116.45 2d1u s LEU 59 Ca -0.00 -1.57 0.03 0.00 0.02 0.00 0.00 54.13 52.61 2d1u s LEU 59 Cb 0.00 -0.13 -0.02 0.00 0.02 0.00 0.00 46.19 46.06 2d1u s LEU 59 CO 0.04 -0.84 -0.15 0.00 0.02 0.00 0.00 176.35 175.42 2d1u s GLN 60 N -3.79 2.64 0.02 1.70 1.03 -1.02 -4.95 119.66 115.30 2d1u s GLN 60 Ca 0.29 -0.71 0.06 0.00 0.04 0.00 0.00 55.36 55.03 2d1u s GLN 60 Cb 0.05 -2.40 -0.03 0.00 0.03 0.00 0.00 33.01 30.66 2d1u s GLN 60 CO 0.15 0.54 -0.14 0.08 -2.54 0.00 0.00 175.29 173.38 2d1u s VAL 61 N -0.51 3.07 -0.08 3.63 1.01 -1.26 -2.41 120.40 123.85 2d1u s VAL 61 Ca 0.07 -1.01 -0.07 0.00 0.00 0.00 0.00 61.98 60.97 2d1u s VAL 61 Cb -0.12 -2.30 0.02 0.00 0.00 0.00 0.00 36.38 33.99 2d1u s VAL 61 CO 0.01 0.39 0.21 -1.59 0.00 0.00 0.00 175.10 174.12 2d1u s LYS 62 N -1.34 0.25 0.80 2.72 0.00 -1.00 -4.95 119.74 116.21 2d1u s LYS 62 Ca 0.15 0.27 -0.11 0.00 0.00 0.00 0.00 55.97 56.28 2d1u s LYS 62 Cb -0.11 0.12 0.07 0.00 0.00 0.00 0.00 37.83 37.92 2d1u s LYS 62 CO 0.05 -0.03 1.09 -1.25 0.00 0.00 0.00 175.35 175.21 2d1u s PRO 63 N 0.06 2.02 0.08 1.78 0.04 -1.26 -1.59 135.00 136.13 2d1u s PRO 63 Ca -0.00 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.12 2d1u s PRO 63 Cb -0.02 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.65 2d1u s PRO 63 CO 0.00 -1.79 0.00 1.28 0.04 0.00 0.00 177.00 176.54 2d1u n LEU 64 N -3.61 0.46 0.00 -3.56 4.77 0.32 -4.88 117.00 110.50 2d1u n LEU 64 Ca 0.09 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 2d1u n LEU 64 Cb 0.54 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 2d1u n LEU 64 CO 0.54 -0.65 0.00 0.61 -1.33 0.00 0.00 177.39 176.56 2d1u n GLY 65 N 3.05 2.97 3.56 -0.72 0.00 -1.25 -4.96 105.19 107.84 2d1u n GLY 65 Ca 0.00 -0.34 -0.22 0.00 0.00 0.00 0.00 46.02 45.46 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 4.68 -1.41 1.61 3.04 -1.26 -3.80 114.94 118.79 2d1u s ASN 66 Ca 0.00 -0.45 -0.18 0.00 0.04 0.00 0.00 52.86 52.27 2d1u s ASN 66 Cb 0.00 -2.56 0.18 0.00 -1.54 0.00 0.00 41.25 37.33 2d1u s ASN 66 CO 0.00 -3.18 0.45 -0.46 -3.04 0.00 0.00 177.10 170.87 2d1u n ASN 67 N 15.71 -1.59 -4.48 -4.21 6.94 -1.26 -4.67 115.26 121.69 2d1u n ASN 67 Ca 0.43 -0.82 -0.38 0.00 -0.02 0.00 0.00 54.58 53.78 2d1u n ASN 67 Cb 0.46 -1.42 -0.12 0.00 -2.36 0.00 0.00 39.78 36.34 2d1u n ASN 67 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 2d1u s SER 68 N -2.90 5.59 0.16 0.53 0.01 -1.25 -2.99 113.70 112.85 2d1u s SER 68 Ca 0.63 -0.30 0.05 0.00 1.31 0.00 0.00 55.95 57.64 2d1u s SER 68 Cb -0.37 -2.02 -0.04 0.00 0.21 0.00 0.00 66.02 63.81 2d1u s SER 68 CO 0.77 -0.12 0.13 0.26 0.41 0.00 0.00 173.24 174.69 2d1u s TRP 69 N 1.66 3.15 0.04 2.43 0.52 -0.70 0.12 118.94 126.16 2d1u s TRP 69 Ca 0.06 -0.02 0.02 0.00 0.02 0.00 0.00 56.10 56.19 2d1u s TRP 69 Cb -0.16 -1.51 -0.02 0.00 -1.15 0.00 0.00 33.47 30.62 2d1u s TRP 69 CO 0.07 0.52 -0.08 -0.08 0.02 0.00 0.00 176.95 177.40 2d1u s THR 70 N -1.74 0.57 -0.16 2.01 -1.32 -0.62 -0.22 115.64 114.17 2d1u s THR 70 Ca 0.31 -1.04 -0.07 0.00 -1.21 0.00 0.00 61.69 59.68 2d1u s THR 70 Cb -0.10 -0.62 -0.04 0.00 -1.51 0.00 0.00 72.50 70.22 2d1u s THR 70 CO 0.23 -0.34 0.10 -0.76 -2.21 0.00 0.00 174.62 171.64 2d1u s LEU 71 N -1.49 4.06 0.14 9.08 2.01 -1.24 -2.39 118.68 128.85 2d1u s LEU 71 Ca -0.09 0.23 -0.16 0.00 0.01 0.00 0.00 54.13 54.12 2d1u s LEU 71 Cb -0.09 -2.01 0.04 0.00 0.01 0.00 0.00 46.19 44.13 2d1u s LEU 71 CO 0.00 0.26 0.42 -1.61 1.01 0.00 0.00 176.35 176.44 2d1u s GLU 72 N -0.13 1.12 0.05 1.70 2.02 -1.01 -4.80 118.70 117.65 2d1u s GLU 72 Ca 0.09 -0.72 -0.31 0.00 0.02 0.00 0.00 54.97 54.05 2d1u s GLU 72 Cb -0.12 0.48 -0.07 0.00 0.10 0.00 0.00 34.13 34.53 2d1u s GLU 72 CO 0.01 -0.45 1.41 -1.25 0.02 0.00 0.00 175.26 175.00 2d1u s PRO 73 N -3.81 4.29 0.28 0.39 0.04 -1.26 -2.44 135.00 132.48 2d1u s PRO 73 Ca 0.04 2.03 -0.29 0.00 0.04 0.00 0.00 61.00 62.81 2d1u s PRO 73 Cb 0.01 -3.46 -0.09 0.00 0.04 0.00 0.00 34.50 31.00 2d1u s PRO 73 CO -0.11 -0.53 1.07 0.00 0.04 0.00 0.00 177.00 177.47 2d1u s ALA 74 N 1.95 3.38 0.95 8.56 0.00 -1.26 -4.89 121.76 130.45 2d1u s ALA 74 Ca 0.65 0.84 -0.12 0.00 0.00 0.00 0.00 51.96 53.33 2d1u s ALA 74 Cb -0.34 -3.30 0.16 0.00 0.00 0.00 0.00 23.12 19.64 2d1u s ALA 74 CO 0.28 -0.10 1.09 -1.25 0.00 0.00 0.00 175.76 175.79 2d1u s PRO 75 N -1.46 0.83 0.97 0.00 0.04 -1.26 -4.99 135.00 129.13 2d1u s PRO 75 Ca 0.45 0.67 -0.14 0.00 0.04 0.00 0.00 61.00 62.02 2d1u s PRO 75 Cb -0.30 -1.77 0.02 0.00 0.04 0.00 0.00 34.50 32.48 2d1u s PRO 75 CO 0.39 -2.50 0.22 0.00 0.04 0.00 0.00 177.00 175.15 2d1u n ALA 76 N -4.04 -3.06 -1.18 8.56 0.00 -1.26 -4.96 120.51 114.57 2d1u n ALA 76 Ca 0.06 -0.66 -0.29 0.00 0.00 0.00 0.00 53.44 52.55 2d1u n ALA 76 Cb 0.56 -1.70 0.16 0.00 0.00 0.00 0.00 19.45 18.47 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 -3.41 0.80 0.00 0.00 0.04 -1.26 -5.00 135.00 126.17 2d1u s PRO 77 Ca 0.55 0.66 0.00 0.00 0.04 0.00 0.00 61.00 62.25 2d1u s PRO 77 Cb -0.20 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.57 2d1u s PRO 77 CO 0.69 -2.51 0.06 1.63 0.04 0.00 0.00 177.00 176.91 2d1u n LYS 78 N -4.05 5.87 -3.13 4.56 4.01 -1.26 -5.04 118.16 119.12 2d1u n LYS 78 Ca 0.06 -0.06 -0.29 0.00 -0.51 0.00 0.00 58.31 57.51 2d1u n LYS 78 Cb 0.56 -0.54 -0.03 0.00 -0.51 0.00 0.00 35.03 34.51 2d1u n LYS 78 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 2d1u s GLU 79 N -0.85 3.69 -0.30 1.97 2.56 -1.26 -5.01 118.70 119.49 2d1u s GLU 79 Ca 0.00 0.19 -0.28 0.00 0.00 0.00 0.00 54.97 54.88 2d1u s GLU 79 Cb 0.00 -2.54 -0.02 0.00 2.00 0.00 0.00 34.13 33.57 2d1u s GLU 79 CO 0.00 0.10 1.78 -0.51 -0.56 0.00 0.00 175.26 176.07 2d1u s ASP 80 N -3.18 5.97 0.00 -1.70 1.01 -1.26 -4.70 116.67 112.81 2d1u s ASP 80 Ca 0.47 1.38 0.00 0.00 0.71 0.00 0.00 52.55 55.11 2d1u s ASP 80 Cb -0.11 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.30 2d1u s ASP 80 CO 0.31 -1.63 0.00 0.00 0.21 0.00 0.00 175.17 174.05 2d1u n ALA 81 N 9.97 2.08 -3.42 5.23 0.00 -1.26 -5.14 120.51 127.98 2d1u n ALA 81 Ca 0.22 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.55 2d1u n ALA 81 Cb 0.46 0.18 -0.01 0.00 0.00 0.00 0.00 19.45 20.09 2d1u n ALA 81 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2d1u s LEU 82 N -3.86 0.41 0.48 0.00 1.02 -1.26 -5.14 118.68 110.32 2d1u s LEU 82 Ca 0.00 -1.26 -0.22 0.00 0.02 0.00 0.00 54.13 52.67 2d1u s LEU 82 Cb 0.00 2.25 -0.09 0.00 0.02 0.00 0.00 46.19 48.37 2d1u s LEU 82 CO 0.00 -1.50 0.86 1.07 0.02 0.00 0.00 176.35 176.80 2d1u n THR 83 N -0.54 2.58 -3.89 5.49 5.66 -1.26 -5.01 114.28 117.31 2d1u n THR 83 Ca -0.04 -0.50 -0.11 0.00 -3.05 0.00 0.00 64.05 60.35 2d1u n THR 83 Cb 0.61 -1.00 -0.10 0.00 -1.55 0.00 0.00 70.33 68.29 2d1u n THR 83 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2d1u s VAL 84 N -1.42 0.09 -0.22 1.08 1.01 -1.26 -5.14 120.40 114.54 2d1u s VAL 84 Ca 0.67 -0.73 -0.03 0.00 0.00 0.00 0.00 61.98 61.89 2d1u s VAL 84 Cb -0.52 -0.41 0.11 0.00 0.00 0.00 0.00 36.38 35.56 2d1u s VAL 84 CO 0.55 -0.40 0.26 -0.69 0.00 0.00 0.00 175.10 174.82 2d1u s VAL 85 N -1.40 -0.39 0.00 2.92 1.01 -1.26 -4.95 120.40 116.33 2d1u s VAL 85 Ca -0.15 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.67 2d1u s VAL 85 Cb -0.08 -0.75 0.00 0.00 0.00 0.00 0.00 36.38 35.55 2d1u s VAL 85 CO 0.01 -0.23 0.00 0.61 0.00 0.00 0.00 175.10 175.49 2d1u n GLY 86 N 5.33 -0.00 3.76 4.51 0.00 -1.26 -5.14 105.19 112.39 2d1u n GLY 86 Ca -0.05 -0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.42 5.90 -0.36 1.61 1.01 -1.26 -4.95 116.67 117.20 2d1u s ASP 87 Ca 0.00 2.64 0.06 0.00 0.71 0.00 0.00 52.55 55.96 2d1u s ASP 87 Cb 0.00 -2.63 0.47 0.00 1.01 0.00 0.00 42.92 41.77 2d1u s ASP 87 CO 0.00 -1.13 1.43 1.87 0.21 0.00 0.00 175.17 177.54 2d1u n TRP 88 N -0.41 2.33 -1.40 4.23 -0.00 -1.26 -4.89 117.44 116.03 2d1u n TRP 88 Ca 0.07 -2.22 -0.14 0.00 -0.00 0.00 0.00 57.50 55.21 2d1u n TRP 88 Cb 0.45 -0.60 -0.06 0.00 -0.00 0.00 0.00 31.31 31.10 2d1u n TRP 88 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 177.69 177.58 2d1u n LEU 89 N -0.87 -0.79 -3.52 5.87 7.94 -1.26 -4.88 117.00 119.49 2d1u n LEU 89 Ca 0.44 0.34 -0.41 0.00 -1.11 0.00 0.00 56.01 55.28 2d1u n LEU 89 Cb 0.91 -2.52 0.02 0.00 0.53 0.00 0.00 43.42 42.36 2d1u n LEU 89 CO 0.41 -0.95 1.48 0.61 -1.11 0.00 0.00 177.39 177.83 2d1u n GLY 90 N -0.39 6.03 2.45 -3.96 0.00 -1.26 -4.60 105.19 103.46 2d1u n GLY 90 Ca -0.14 -2.55 -0.14 0.00 0.00 0.00 0.00 46.02 43.19 2d1u n GLY 90 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2d1u n ASP 91 N -0.09 3.25 -3.44 1.61 9.92 -1.26 -4.95 116.55 121.59 2d1u n ASP 91 Ca 0.48 -2.97 -0.27 0.00 -0.53 0.00 0.00 54.79 51.50 2d1u n ASP 91 Cb 0.26 -0.43 -0.11 0.00 -0.64 0.00 0.00 41.12 40.20 2d1u n ASP 91 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2d1u s ALA 92 N -3.62 0.82 -1.58 2.24 0.00 -1.26 -4.96 121.76 113.40 2d1u s ALA 92 Ca 0.39 -1.84 0.12 0.00 0.00 0.00 0.00 51.96 50.63 2d1u s ALA 92 Cb 0.38 -1.65 0.42 0.00 0.00 0.00 0.00 23.12 22.26 2d1u s ALA 92 CO -0.02 -2.10 1.30 0.54 0.00 0.00 0.00 175.76 175.49 2d1u n ARG 93 N 3.89 2.40 -3.07 0.00 3.00 -1.26 -4.95 116.66 116.66 2d1u n ARG 93 Ca 0.14 -1.66 -0.09 0.00 -0.01 0.00 0.00 57.85 56.24 2d1u n ARG 93 Cb 0.39 -1.52 0.01 0.00 0.00 0.00 0.00 32.46 31.34 2d1u n ARG 93 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2d1u n GLU 94 N 0.66 -1.83 -3.36 5.56 2.13 -1.26 -4.03 120.64 118.51 2d1u n GLU 94 Ca 0.15 1.69 -0.11 0.00 0.66 0.00 0.00 57.16 59.55 2d1u n GLU 94 Cb 0.50 -5.14 0.00 0.00 0.27 0.00 0.00 31.44 27.07 2d1u n GLU 94 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2d1u n ASN 95 N -1.11 -6.55 -4.11 4.31 3.02 -1.26 -5.01 115.26 104.55 2d1u n ASN 95 Ca 0.02 -0.41 -0.20 0.00 -0.03 0.00 0.00 54.58 53.96 2d1u n ASN 95 Cb 0.52 -3.74 -0.14 0.00 -0.61 0.00 0.00 39.78 35.81 2d1u n ASN 95 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2d1u s ASP 96 N -2.93 1.52 -0.10 6.41 -1.08 -1.26 -5.14 116.67 114.10 2d1u s ASP 96 Ca 0.02 -0.37 -0.03 0.00 -0.52 0.00 0.00 52.55 51.65 2d1u s ASP 96 Cb -0.00 -0.12 0.05 0.00 -1.46 0.00 0.00 42.92 41.39 2d1u s ASP 96 CO 0.81 0.06 0.15 -0.76 0.52 0.00 0.00 175.17 175.95 2d1u s LEU 97 N -0.85 -0.01 -0.41 -1.34 1.43 -1.26 -4.96 118.68 111.28 2d1u s LEU 97 Ca 0.02 0.14 0.02 0.00 -1.03 0.00 0.00 54.13 53.28 2d1u s LEU 97 Cb -0.07 0.17 0.15 0.00 0.03 0.00 0.00 46.19 46.48 2d1u s LEU 97 CO 0.01 -0.27 0.27 -0.70 0.23 0.00 0.00 176.35 175.89 2d1u s GLU 98 N 2.26 0.95 -0.50 1.70 2.56 -1.26 -4.98 118.70 119.43 2d1u s GLU 98 Ca 0.04 -1.84 0.04 0.00 0.00 0.00 0.00 54.97 53.20 2d1u s GLU 98 Cb -0.13 -1.72 0.41 0.00 2.00 0.00 0.00 34.13 34.70 2d1u s GLU 98 CO -0.06 -1.25 1.33 -2.39 -0.56 0.00 0.00 175.26 172.32 2d1u n HIS 99 N 3.45 3.23 -3.39 5.30 1.44 -1.26 -4.89 115.22 119.10 2d1u n HIS 99 Ca 0.17 -2.83 -0.25 0.00 -2.01 0.00 0.00 57.72 52.80 2d1u n HIS 99 Cb 0.39 -0.38 0.02 0.00 0.12 0.00 0.00 29.99 30.14 2d1u n HIS 99 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2d1u n HIS 100 N -0.55 -2.05 -1.73 -1.40 -0.00 -1.26 -4.89 115.22 103.35 2d1u n HIS 100 Ca 0.44 0.62 -0.41 0.00 -0.00 0.00 0.00 57.72 58.37 2d1u n HIS 100 Cb 0.63 -3.84 0.00 0.00 -0.00 0.00 0.00 29.99 26.78 2d1u n HIS 100 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2d1u n HIS 101 N -4.38 2.52 -4.93 4.41 1.44 -1.26 -5.00 115.22 108.02 2d1u n HIS 101 Ca -0.03 0.50 -0.30 0.00 -2.01 0.00 0.00 57.72 55.87 2d1u n HIS 101 Cb 0.57 -2.45 -0.17 0.00 0.12 0.00 0.00 29.99 28.06 2d1u n HIS 101 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2d1u s HIS 102 N -1.14 2.25 -0.09 -1.40 2.46 -1.26 -5.12 115.29 111.00 2d1u s HIS 102 Ca 0.56 -0.95 -0.31 0.00 0.47 0.00 0.00 55.06 54.84 2d1u s HIS 102 Cb -0.51 -1.54 0.09 0.00 -0.13 0.00 0.00 32.58 30.49 2d1u s HIS 102 CO 0.61 -0.41 0.81 -1.58 -2.47 0.00 0.00 174.74 171.70 2d1u s HIS 103 N 0.54 -0.54 -2.21 3.88 5.04 -1.26 -5.28 115.29 115.47 2d1u s HIS 103 Ca -0.15 0.91 0.30 0.00 -1.54 0.00 0.00 55.06 54.58 2d1u s HIS 103 Cb -0.17 0.43 1.55 0.00 0.04 0.00 0.00 32.58 34.43 2d1u s HIS 103 CO 0.05 -0.50 2.02 0.72 -2.34 0.00 0.00 174.74 174.69