#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 1.74 -3.82 0.00 -0.06 -1.26 -2.97 117.38 111.01 2d1u n GLN 2 Ca 0.00 0.64 -0.26 0.00 -2.00 0.00 0.00 57.00 55.38 2d1u n GLN 2 Cb 0.00 -2.41 -0.17 0.00 -4.06 0.00 0.00 30.24 23.60 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 3.55 0.70 -0.19 1.69 1.01 0.29 -4.91 120.40 122.55 2d1u s VAL 3 Ca 0.94 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.63 2d1u s VAL 3 Cb -0.85 -0.92 0.01 0.00 0.00 0.00 0.00 36.38 34.63 2d1u s VAL 3 CO 0.56 0.14 -0.17 0.21 0.00 0.00 0.00 175.10 175.85 2d1u s ASN 4 N 1.82 3.39 -0.03 3.32 2.47 -1.26 -2.68 114.94 121.97 2d1u s ASN 4 Ca 0.03 -0.59 0.04 0.00 0.42 0.00 0.00 52.86 52.76 2d1u s ASN 4 Cb -0.14 -1.54 -0.01 0.00 -1.45 0.00 0.00 41.25 38.12 2d1u s ASN 4 CO -0.07 0.00 -0.16 -0.63 -3.72 0.00 0.00 177.10 172.52 2d1u s ILE 5 N 1.30 1.31 -0.07 -5.21 1.01 -0.32 -4.89 121.20 114.33 2d1u s ILE 5 Ca 0.05 -0.68 -0.22 0.00 0.00 0.00 0.00 60.65 59.80 2d1u s ILE 5 Cb -0.13 -1.11 -0.04 0.00 0.01 0.00 0.00 42.46 41.18 2d1u s ILE 5 CO -0.10 0.38 0.64 0.00 0.00 0.00 0.00 174.94 175.85 2d1u s ALA 6 N -0.14 3.38 1.00 9.38 0.00 -1.26 -2.10 121.76 132.02 2d1u s ALA 6 Ca 0.01 0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.02 2d1u s ALA 6 Cb -0.09 -2.86 0.00 0.00 0.00 0.00 0.00 23.12 20.17 2d1u s ALA 6 CO 0.01 -0.05 0.00 -0.35 0.00 0.00 0.00 175.76 175.36 2d1u n PRO 7 N 3.65 0.07 0.00 0.00 -0.04 -1.26 -4.68 135.00 132.74 2d1u n PRO 7 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 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 0.69 0.00 0.55 0.00 -1.26 -4.86 105.19 102.75 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 -0.15 1.61 7.64 -1.26 -4.97 113.62 116.49 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 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 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 0.74 -0.51 -3.43 6.46 -1.78 -2.39 115.31 114.40 2d1u h LEU 10 Ca 0.00 -0.30 0.02 0.00 -0.12 0.00 0.00 57.88 57.48 2d1u h LEU 10 Cb 0.00 -0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 39.70 2d1u h LEU 10 CO 0.00 0.85 0.32 -2.24 -0.62 0.00 0.00 178.44 176.76 2d1u h ASP 11 N 0.60 0.53 0.64 1.25 2.03 -1.84 -0.54 116.42 119.09 2d1u h ASP 11 Ca 0.13 -0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.39 2d1u h ASP 11 Cb 0.46 -0.12 0.00 0.00 -0.83 0.00 0.00 39.33 38.85 2d1u h ASP 11 CO 0.02 0.38 -0.33 0.11 -1.03 0.00 0.00 179.24 178.39 2d1u h LYS 12 N 0.64 -0.86 -0.93 4.15 1.79 -1.94 -2.37 116.57 117.06 2d1u h LYS 12 Ca 0.20 0.06 0.12 0.00 -2.18 0.00 0.00 60.65 58.85 2d1u h LYS 12 Cb -0.02 0.20 -0.07 0.00 -1.58 0.00 0.00 32.23 30.75 2d1u h LYS 12 CO -0.07 -0.58 0.59 0.00 -1.08 0.00 0.00 179.45 178.32 2d1u h ALA 13 N -0.55 1.68 0.14 3.86 0.00 -1.31 0.20 119.26 123.27 2d1u h ALA 13 Ca -0.08 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.85 2d1u h ALA 13 Cb 0.70 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2d1u h ALA 13 CO 0.12 0.09 -0.22 1.25 0.00 0.00 0.00 179.25 180.50 2d1u h LEU 14 N 0.84 -0.61 -1.09 0.00 5.85 -0.77 -0.65 115.31 118.88 2d1u h LEU 14 Ca 0.46 0.07 -0.09 0.00 0.84 0.00 0.00 57.88 59.16 2d1u h LEU 14 Cb 0.56 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 2d1u h LEU 14 CO -0.22 -0.31 -0.29 0.78 -0.34 0.00 0.00 178.44 178.07 2d1u h ASN 15 N -0.43 0.29 0.61 1.25 2.35 -0.89 0.12 115.58 118.88 2d1u h ASN 15 Ca 0.02 -0.10 -0.03 0.00 -0.55 0.00 0.00 56.30 55.65 2d1u h ASN 15 Cb 0.44 -0.08 0.01 0.00 0.05 0.00 0.00 38.32 38.73 2d1u h ASN 15 CO -0.11 0.57 -0.29 1.56 -1.65 0.00 0.00 177.43 177.52 2d1u h GLN 16 N 0.26 -0.79 -0.14 0.81 1.08 -0.41 0.98 115.11 116.90 2d1u h GLN 16 Ca 0.04 0.05 -0.18 0.00 -1.45 0.00 0.00 58.65 57.11 2d1u h GLN 16 Cb 0.64 0.18 -0.00 0.00 -0.05 0.00 0.00 27.48 28.25 2d1u h GLN 16 CO 0.05 -0.52 -0.67 0.10 -0.95 0.00 0.00 178.83 176.84 2d1u h TYR 17 N -0.83 0.73 -0.88 2.96 -0.00 -1.11 -2.65 116.97 115.19 2d1u h TYR 17 Ca -0.08 -0.29 -0.00 0.00 0.00 0.00 0.00 58.73 58.35 2d1u h TYR 17 Cb 0.63 -0.12 -0.04 0.00 0.00 0.00 0.00 36.73 37.19 2d1u h TYR 17 CO -0.03 1.06 0.53 0.00 -0.00 0.00 0.00 178.16 179.72 2d1u h ALA 18 N 0.87 1.13 0.00 0.10 0.00 -0.69 -1.67 119.26 118.99 2d1u h ALA 18 Ca -0.02 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 2d1u h ALA 18 Cb 1.24 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2d1u h ALA 18 CO 0.12 0.58 -0.32 0.00 0.00 0.00 0.00 179.25 179.64 2d1u h ALA 19 N 1.29 0.91 0.00 0.00 0.00 -0.78 -1.74 119.26 118.95 2d1u h ALA 19 Ca 0.32 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 2d1u h ALA 19 Cb -0.05 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2d1u h ALA 19 CO -0.06 0.40 -0.51 0.45 0.00 0.00 0.00 179.25 179.53 2d1u h HIS 20 N 0.00 0.00 0.00 0.00 -0.00 -0.98 -3.37 115.15 110.80 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 0.98 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.39 2d1u h HIS 20 CO 0.00 0.51 -0.24 0.45 -0.00 0.00 0.00 177.93 178.66 2d1u n SER 21 N -3.41 0.78 0.00 2.45 2.88 -0.71 -5.05 113.62 110.57 2d1u n SER 21 Ca 0.01 0.39 0.00 0.00 -1.33 0.00 0.00 58.87 57.94 2d1u n SER 21 Cb 0.65 -0.66 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2d1u n SER 21 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2d1u n GLY 22 N 1.67 1.96 3.67 0.46 0.00 -0.67 -5.09 105.19 107.20 2d1u n GLY 22 Ca -0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.96 2.49 0.05 1.61 -0.71 -1.25 -5.10 117.98 113.11 2d1u s PHE 23 Ca 0.00 -0.67 0.02 0.00 -1.04 0.00 0.00 56.93 55.24 2d1u s PHE 23 Cb 0.00 -1.83 -0.04 0.00 -1.21 0.00 0.00 43.02 39.94 2d1u s PHE 23 CO 0.00 0.34 0.10 0.99 -1.34 0.00 0.00 175.22 175.30 2d1u s THR 24 N -2.69 4.71 -0.00 -4.49 2.01 -1.09 -4.84 115.64 109.24 2d1u s THR 24 Ca 0.35 -0.60 0.01 0.00 0.31 0.00 0.00 61.69 61.75 2d1u s THR 24 Cb 0.07 -3.23 0.00 0.00 0.01 0.00 0.00 72.50 69.35 2d1u s THR 24 CO 0.18 0.20 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.08 2d1u s LEU 25 N -2.20 1.94 -0.30 4.42 2.96 -1.26 -1.71 118.68 122.53 2d1u s LEU 25 Ca 0.28 -0.04 0.02 0.00 -0.22 0.00 0.00 54.13 54.18 2d1u s LEU 25 Cb -0.12 -0.11 0.09 0.00 0.50 0.00 0.00 46.19 46.54 2d1u s LEU 25 CO 0.20 0.02 0.02 -0.55 -1.32 0.00 0.00 176.35 174.71 2d1u s SER 26 N 0.03 4.42 -0.02 3.68 0.15 0.95 -4.93 113.70 117.99 2d1u s SER 26 Ca 0.00 -1.77 0.03 0.00 0.70 0.00 0.00 55.95 54.91 2d1u s SER 26 Cb -0.02 -1.40 -0.00 0.00 -1.71 0.00 0.00 66.02 62.89 2d1u s SER 26 CO -0.00 -0.33 -0.11 0.54 1.20 0.00 0.00 173.24 174.54 2d1u s VAL 27 N 1.15 0.86 -0.62 4.45 0.11 -1.26 -3.76 120.40 121.32 2d1u s VAL 27 Ca 0.05 -0.44 -0.26 0.00 -2.93 0.00 0.00 61.98 58.40 2d1u s VAL 27 Cb -0.19 -0.74 -0.11 0.00 -1.53 0.00 0.00 36.38 33.82 2d1u s VAL 27 CO -0.10 0.25 2.44 0.47 -3.33 0.00 0.00 175.10 174.83 2d1u n ASP 28 N 2.99 1.89 0.00 3.54 8.00 -1.26 -4.75 116.55 126.96 2d1u n ASP 28 Ca -0.15 -0.63 0.07 0.00 0.71 0.00 0.00 54.79 54.78 2d1u n ASP 28 Cb 0.55 -1.50 0.41 0.00 -0.02 0.00 0.00 41.12 40.56 2d1u n ASP 28 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2d1u n ALA 29 N 15.63 2.45 -0.22 2.24 0.00 -1.26 -3.98 120.51 135.37 2d1u n ALA 29 Ca 0.43 -0.09 0.02 0.00 0.00 0.00 0.00 53.44 53.80 2d1u n ALA 29 Cb 0.46 -1.22 0.11 0.00 0.00 0.00 0.00 19.45 18.80 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 -0.32 1.34 0.00 0.87 -2.03 0.52 113.55 113.92 2d1u h SER 30 Ca 0.00 0.17 -0.07 0.00 -1.23 0.00 0.00 61.79 60.65 2d1u h SER 30 Cb 0.00 0.30 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 2d1u h SER 30 CO 0.00 -0.14 -0.68 -0.07 -0.53 0.00 0.00 176.83 175.41 2d1u h LEU 31 N 0.10 0.00 -2.14 2.23 4.07 -1.99 -3.29 115.31 114.29 2d1u h LEU 31 Ca 0.34 0.00 0.06 0.00 0.08 0.00 0.00 57.88 58.37 2d1u h LEU 31 Cb 0.57 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.30 2d1u h LEU 31 CO -0.58 0.30 0.19 0.74 -1.08 0.00 0.00 178.44 178.02 2d1u h THR 32 N 0.00 0.64 -1.07 0.22 2.02 -1.11 0.29 112.91 113.89 2d1u h THR 32 Ca -0.04 0.00 0.29 0.00 0.77 0.00 0.00 66.41 67.44 2d1u h THR 32 Cb 1.26 0.85 -0.07 0.00 -1.74 0.00 0.00 68.15 68.46 2d1u h THR 32 CO 0.03 0.00 0.73 0.08 0.37 0.00 0.00 175.52 176.74 2d1u h ARG 33 N 0.00 0.19 0.00 6.66 0.11 -1.53 -2.69 114.38 117.12 2d1u h ARG 33 Ca 0.10 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.17 2d1u h ARG 33 Cb 0.49 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.53 2d1u h ARG 33 CO -0.00 0.13 0.00 0.41 0.10 0.00 0.00 179.97 180.61 2d1u n GLY 34 N -1.61 0.90 3.89 0.08 0.00 -0.59 -5.07 105.19 102.79 2d1u n GLY 34 Ca 0.24 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 2d1u n GLY 34 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2d1u s LYS 35 N -0.59 2.95 0.39 1.61 2.20 0.91 -5.05 119.74 122.17 2d1u s LYS 35 Ca 0.00 0.33 0.04 0.00 -0.36 0.00 0.00 55.97 55.99 2d1u s LYS 35 Cb 0.00 -2.11 -0.02 0.00 -1.51 0.00 0.00 37.83 34.18 2d1u s LYS 35 CO 0.00 -0.87 0.16 1.14 -0.36 0.00 0.00 175.35 175.42 2d1u s GLN 36 N -5.22 1.90 0.05 4.03 -2.07 -1.26 -3.35 119.66 113.74 2d1u s GLN 36 Ca 0.56 -2.15 -0.07 0.00 -1.82 0.00 0.00 55.36 51.88 2d1u s GLN 36 Cb -0.11 -0.40 -0.01 0.00 -1.09 0.00 0.00 33.01 31.41 2d1u s GLN 36 CO 0.50 -0.53 0.14 0.45 -1.32 0.00 0.00 175.29 174.53 2d1u s SER 37 N -3.56 0.13 -0.19 12.60 0.15 -1.26 -4.49 113.70 117.09 2d1u s SER 37 Ca 0.27 -0.53 -0.28 0.00 0.70 0.00 0.00 55.95 56.11 2d1u s SER 37 Cb 0.02 0.27 -0.00 0.00 -1.71 0.00 0.00 66.02 64.60 2d1u s SER 37 CO 0.17 -0.58 0.95 0.21 1.20 0.00 0.00 173.24 175.19 2d1u s ASN 38 N -2.33 7.06 1.20 5.45 3.84 -0.86 -4.17 114.94 125.13 2d1u s ASN 38 Ca -0.02 1.31 -0.17 0.00 0.21 0.00 0.00 52.86 54.19 2d1u s ASN 38 Cb 0.01 -2.51 0.23 0.00 -0.55 0.00 0.00 41.25 38.43 2d1u s ASN 38 CO -0.06 -0.53 0.53 0.61 -2.79 0.00 0.00 177.10 174.86 2d1u n GLY 39 N 3.37 -2.61 3.72 1.21 0.00 -1.26 -4.21 105.19 105.40 2d1u n GLY 39 Ca 0.09 -1.09 -0.25 0.00 0.00 0.00 0.00 46.02 44.76 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 -4.34 3.51 -0.29 0.99 2.96 -0.89 -4.77 118.68 115.84 2d1u s LEU 40 Ca 0.60 -0.34 0.02 0.00 -0.22 0.00 0.00 54.13 54.19 2d1u s LEU 40 Cb -0.16 -2.11 0.20 0.00 0.50 0.00 0.00 46.19 44.62 2d1u s LEU 40 CO 0.61 0.05 0.66 -2.28 -1.32 0.00 0.00 176.35 174.06 2d1u s HIS 41 N -1.90 -1.63 0.00 5.38 2.46 -1.09 -1.18 115.29 117.33 2d1u s HIS 41 Ca 0.30 1.06 0.00 0.00 0.47 0.00 0.00 55.06 56.89 2d1u s HIS 41 Cb -0.09 0.32 0.00 0.00 -0.13 0.00 0.00 32.58 32.68 2d1u s HIS 41 CO 0.21 -0.94 0.00 0.41 -2.47 0.00 0.00 174.74 171.95 2d1u n GLY 42 N 5.38 1.08 3.58 1.59 0.00 -1.15 -4.98 105.19 110.70 2d1u n GLY 42 Ca 0.04 -2.13 -0.43 0.00 0.00 0.00 0.00 46.02 43.51 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 0.00 6.52 -0.05 1.61 -1.08 -1.26 -0.55 116.67 121.87 2d1u s ASP 43 Ca 0.00 0.22 -0.02 0.00 -0.52 0.00 0.00 52.55 52.23 2d1u s ASP 43 Cb 0.00 -2.53 0.03 0.00 -1.46 0.00 0.00 42.92 38.97 2d1u s ASP 43 CO 0.00 -1.31 0.09 -0.31 0.52 0.00 0.00 175.17 174.15 2d1u s TYR 44 N 4.52 -0.04 0.79 -5.34 2.02 -1.16 -4.91 117.35 113.24 2d1u s TYR 44 Ca 0.43 0.33 -0.13 0.00 -0.37 0.00 0.00 57.07 57.33 2d1u s TYR 44 Cb -0.08 -0.27 0.20 0.00 -0.40 0.00 0.00 41.96 41.41 2d1u s TYR 44 CO 0.28 -0.17 0.46 -0.25 -1.57 0.00 0.00 175.55 174.30 2d1u n ASP 45 N 4.69 -3.16 -0.09 2.29 8.00 -1.26 -4.10 116.55 122.92 2d1u n ASP 45 Ca -0.17 -0.47 -0.08 0.00 0.71 0.00 0.00 54.79 54.78 2d1u n ASP 45 Cb 0.50 -0.53 -0.01 0.00 -0.02 0.00 0.00 41.12 41.06 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 -2.88 1.03 0.05 2.53 3.04 -1.97 0.29 116.25 118.33 2d1u h VAL 46 Ca -0.21 -0.13 -0.00 0.00 -1.01 0.00 0.00 66.70 65.35 2d1u h VAL 46 Cb 0.71 0.62 0.00 0.00 -2.01 0.00 0.00 31.29 30.61 2d1u h VAL 46 CO 0.13 0.07 -0.02 -0.33 -1.01 0.00 0.00 177.57 176.40 2d1u h GLU 47 N 0.37 -0.06 -0.19 4.17 5.08 -1.99 -1.91 114.58 120.06 2d1u h GLU 47 Ca 0.13 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.54 2d1u h GLU 47 Cb 0.00 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.22 2d1u h GLU 47 CO -0.06 0.56 -0.13 0.77 -1.00 0.00 0.00 179.01 179.15 2d1u h SER 48 N -0.76 -0.42 -0.60 1.42 0.02 -1.87 -0.62 113.55 110.72 2d1u h SER 48 Ca -0.01 0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 60.99 2d1u h SER 48 Cb 0.64 0.22 -0.03 0.00 0.14 0.00 0.00 62.40 63.38 2d1u h SER 48 CO 0.01 -0.17 0.22 1.23 -1.14 0.00 0.00 176.83 176.98 2d1u h GLY 49 N -0.13 0.98 0.73 -3.77 0.00 -0.53 -2.00 103.07 98.34 2d1u h GLY 49 Ca 0.11 -0.55 0.01 0.00 0.00 0.00 0.00 47.33 46.90 2d1u h GLY 49 CO -0.27 0.52 -0.17 -2.00 0.00 0.00 0.00 176.54 174.62 2d1u h LEU 50 N 0.84 -0.47 -2.22 3.11 5.85 -0.84 -1.27 115.31 120.31 2d1u h LEU 50 Ca 0.20 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.96 2d1u h LEU 50 Cb 0.23 0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 2d1u h LEU 50 CO -0.01 -0.25 -0.06 1.56 -0.34 0.00 0.00 178.44 179.34 2d1u h GLN 51 N -0.34 0.00 0.00 1.25 1.08 -1.06 -1.13 115.11 114.91 2d1u h GLN 51 Ca 0.02 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.12 2d1u h GLN 51 Cb 0.35 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.77 2d1u h GLN 51 CO -0.08 0.06 -0.48 0.37 -0.95 0.00 0.00 178.83 177.74 2d1u h GLN 52 N 0.00 0.00 0.19 1.46 -0.00 -0.48 0.13 115.11 116.40 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 0.16 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.64 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 4.07 -0.35 -3.25 115.31 113.17 2d1u h LEU 53 Ca -0.00 -0.28 0.00 0.00 0.08 0.00 0.00 57.88 57.67 2d1u h LEU 53 Cb 1.09 0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.89 2d1u h LEU 53 CO 0.06 0.33 0.00 0.00 -1.08 0.00 0.00 178.44 177.75 2d1u n LEU 54 N -4.94 0.00 -4.60 1.67 -0.00 -1.13 -2.03 117.00 105.97 2d1u n LEU 54 Ca -0.07 0.28 -0.55 0.00 -0.00 0.00 0.00 56.01 55.67 2d1u n LEU 54 Cb 0.24 -0.28 -0.07 0.00 -0.00 0.00 0.00 43.42 43.31 2d1u n LEU 54 CO 0.22 -0.00 1.51 -0.67 -0.00 0.00 0.00 177.39 178.45 2d1u n ASP 55 N -1.28 2.28 0.00 1.45 2.03 0.03 -3.06 116.55 118.00 2d1u n ASP 55 Ca 0.14 0.84 0.00 0.00 0.52 0.00 0.00 54.79 56.30 2d1u n ASP 55 Cb 0.24 -1.18 0.00 0.00 -0.72 0.00 0.00 41.12 39.46 2d1u n ASP 55 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2d1u n GLY 56 N 5.17 1.60 0.12 0.27 0.00 -1.26 -4.82 105.19 106.28 2d1u n GLY 56 Ca 0.33 -0.09 -0.16 0.00 0.00 0.00 0.00 46.02 46.10 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 1.42 -1.20 1.61 3.41 -1.17 -5.09 113.62 112.60 2d1u n SER 57 Ca 0.00 -0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 2d1u n SER 57 Cb 0.00 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 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 2.09 -2.30 3.29 5.00 0.00 -1.26 -5.04 105.19 106.97 2d1u n GLY 58 Ca -0.41 -0.38 -0.17 0.00 0.00 0.00 0.00 46.02 45.06 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 1.56 0.02 0.99 1.02 -1.26 -4.19 118.68 116.83 2d1u s LEU 59 Ca 0.00 -1.54 0.03 0.00 0.02 0.00 0.00 54.13 52.64 2d1u s LEU 59 Cb 0.00 0.29 -0.04 0.00 0.02 0.00 0.00 46.19 46.46 2d1u s LEU 59 CO 0.00 -0.90 -0.02 0.00 0.02 0.00 0.00 176.35 175.46 2d1u s GLN 60 N -3.85 2.66 -0.14 1.70 -2.07 -0.64 -4.89 119.66 112.43 2d1u s GLN 60 Ca 0.37 -0.70 0.00 0.00 -1.82 0.00 0.00 55.36 53.21 2d1u s GLN 60 Cb 0.05 -2.59 0.03 0.00 -1.09 0.00 0.00 33.01 29.41 2d1u s GLN 60 CO 0.18 0.60 -0.11 0.08 -1.32 0.00 0.00 175.29 174.72 2d1u s VAL 61 N -1.12 1.35 0.00 3.63 1.01 -1.26 -1.48 120.40 122.54 2d1u s VAL 61 Ca 0.20 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.67 2d1u s VAL 61 Cb -0.11 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 34.92 2d1u s VAL 61 CO 0.11 0.37 -0.10 -1.59 0.00 0.00 0.00 175.10 173.89 2d1u s LYS 62 N 1.57 0.81 0.81 2.72 0.00 -1.07 -4.93 119.74 119.65 2d1u s LYS 62 Ca 0.04 -0.44 -0.11 0.00 0.00 0.00 0.00 55.97 55.46 2d1u s LYS 62 Cb -0.13 -0.78 0.08 0.00 0.00 0.00 0.00 37.83 36.99 2d1u s LYS 62 CO -0.09 0.21 1.09 -1.25 0.00 0.00 0.00 175.35 175.31 2d1u s PRO 63 N -0.44 1.98 0.11 1.78 0.04 -1.26 -1.98 135.00 135.23 2d1u s PRO 63 Ca 0.03 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.14 2d1u s PRO 63 Cb -0.05 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.62 2d1u s PRO 63 CO -0.00 -1.81 0.00 1.28 0.04 0.00 0.00 177.00 176.51 2d1u n LEU 64 N -3.62 0.70 0.00 -3.56 4.77 0.35 -4.89 117.00 110.75 2d1u n LEU 64 Ca 0.08 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 2d1u n LEU 64 Cb 0.54 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 2d1u n LEU 64 CO 0.54 -0.71 0.00 0.61 -1.33 0.00 0.00 177.39 176.50 2d1u n GLY 65 N 3.15 2.89 3.56 -0.72 0.00 -1.25 -4.97 105.19 107.85 2d1u n GLY 65 Ca 0.00 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.37 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 5.53 -0.70 1.61 2.47 -1.26 -3.92 114.94 119.67 2d1u s ASN 66 Ca 0.00 -0.70 -0.05 0.00 0.42 0.00 0.00 52.86 52.54 2d1u s ASN 66 Cb 0.00 -2.56 0.04 0.00 -1.45 0.00 0.00 41.25 37.29 2d1u s ASN 66 CO 0.00 -2.36 0.17 -3.20 -3.72 0.00 0.00 177.10 167.99 2d1u n ASN 67 N 12.38 -2.21 -4.51 -4.21 4.05 -1.26 -4.61 115.26 114.89 2d1u n ASN 67 Ca 0.34 0.04 -0.42 0.00 0.45 0.00 0.00 54.58 54.99 2d1u n ASN 67 Cb 0.49 -1.94 -0.09 0.00 1.23 0.00 0.00 39.78 39.46 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 -2.30 6.16 0.12 1.20 1.04 -1.25 -2.66 113.70 116.00 2d1u s SER 68 Ca 0.18 -0.52 0.04 0.00 0.48 0.00 0.00 55.95 56.13 2d1u s SER 68 Cb -0.10 -2.19 -0.04 0.00 0.10 0.00 0.00 66.02 63.79 2d1u s SER 68 CO 0.23 -0.43 0.13 0.26 0.98 0.00 0.00 173.24 174.41 2d1u s TRP 69 N 1.96 3.23 0.04 5.02 0.52 -0.70 0.13 118.94 129.15 2d1u s TRP 69 Ca 0.10 0.06 0.02 0.00 0.02 0.00 0.00 56.10 56.30 2d1u s TRP 69 Cb -0.17 -1.59 -0.02 0.00 -1.15 0.00 0.00 33.47 30.53 2d1u s TRP 69 CO 0.12 0.53 -0.08 -0.08 0.02 0.00 0.00 176.95 177.46 2d1u s THR 70 N -1.58 0.52 -0.16 2.01 -1.32 -0.84 -0.03 115.64 114.24 2d1u s THR 70 Ca 0.31 -1.08 -0.06 0.00 -1.21 0.00 0.00 61.69 59.64 2d1u s THR 70 Cb -0.11 -0.61 -0.04 0.00 -1.51 0.00 0.00 72.50 70.23 2d1u s THR 70 CO 0.24 -0.40 0.05 -0.76 -2.21 0.00 0.00 174.62 171.54 2d1u s LEU 71 N -1.60 3.79 0.10 9.08 2.01 -1.25 -2.59 118.68 128.23 2d1u s LEU 71 Ca -0.10 0.11 0.03 0.00 0.01 0.00 0.00 54.13 54.18 2d1u s LEU 71 Cb -0.10 -1.94 -0.04 0.00 0.01 0.00 0.00 46.19 44.12 2d1u s LEU 71 CO 0.00 0.22 -0.09 -1.61 1.01 0.00 0.00 176.35 175.88 2d1u s GLU 72 N 0.07 0.84 -0.04 1.70 2.02 -0.55 -4.77 118.70 117.97 2d1u s GLU 72 Ca 0.05 -1.19 -0.30 0.00 0.02 0.00 0.00 54.97 53.55 2d1u s GLU 72 Cb -0.12 -0.46 -0.05 0.00 0.10 0.00 0.00 34.13 33.60 2d1u s GLU 72 CO 0.01 0.06 1.48 -1.25 0.02 0.00 0.00 175.26 175.58 2d1u s PRO 73 N -3.00 4.23 0.27 0.39 0.04 -1.26 -1.63 135.00 134.05 2d1u s PRO 73 Ca 0.07 2.02 0.11 0.00 0.04 0.00 0.00 61.00 63.23 2d1u s PRO 73 Cb -0.01 -3.74 -0.05 0.00 0.04 0.00 0.00 34.50 30.74 2d1u s PRO 73 CO -0.01 -0.70 -0.10 0.00 0.04 0.00 0.00 177.00 176.23 2d1u s ALA 74 N 3.14 2.96 0.94 8.56 0.00 -1.26 -4.85 121.76 131.26 2d1u s ALA 74 Ca 0.66 -1.76 -0.12 0.00 0.00 0.00 0.00 51.96 50.75 2d1u s ALA 74 Cb -0.31 -0.53 0.15 0.00 0.00 0.00 0.00 23.12 22.43 2d1u s ALA 74 CO 0.26 0.28 1.09 -1.25 0.00 0.00 0.00 175.76 176.14 2d1u s PRO 75 N -3.58 0.92 0.96 0.00 0.04 -1.26 -4.86 135.00 127.22 2d1u s PRO 75 Ca 0.31 0.70 -0.13 0.00 0.04 0.00 0.00 61.00 61.92 2d1u s PRO 75 Cb -0.06 -1.78 0.04 0.00 0.04 0.00 0.00 34.50 32.74 2d1u s PRO 75 CO 0.17 -2.44 0.37 0.00 0.04 0.00 0.00 177.00 175.15 2d1u n ALA 76 N -4.00 -2.72 -1.18 8.56 0.00 -1.26 -4.97 120.51 114.93 2d1u n ALA 76 Ca 0.06 -0.65 -0.29 0.00 0.00 0.00 0.00 53.44 52.56 2d1u n ALA 76 Cb 0.56 -1.78 0.16 0.00 0.00 0.00 0.00 19.45 18.39 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 -3.61 0.80 -0.21 0.00 0.04 -1.26 -4.99 135.00 125.77 2d1u s PRO 77 Ca 0.57 0.66 0.13 0.00 0.04 0.00 0.00 61.00 62.40 2d1u s PRO 77 Cb -0.21 -1.77 0.42 0.00 0.04 0.00 0.00 34.50 32.99 2d1u s PRO 77 CO 0.68 -2.51 1.29 0.36 0.04 0.00 0.00 177.00 176.86 2d1u n LYS 78 N -4.05 1.75 -3.56 4.56 2.85 -1.26 -5.02 118.16 113.43 2d1u n LYS 78 Ca 0.06 -3.03 -0.06 0.00 -1.05 0.00 0.00 58.31 54.23 2d1u n LYS 78 Cb 0.56 -1.67 -0.02 0.00 -0.65 0.00 0.00 35.03 33.25 2d1u n LYS 78 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 2d1u s GLU 79 N -3.10 0.49 -1.27 -1.58 2.12 -1.26 -5.06 118.70 109.04 2d1u s GLU 79 Ca 0.39 -0.16 -0.06 0.00 0.36 0.00 0.00 54.97 55.50 2d1u s GLU 79 Cb 0.35 0.22 0.16 0.00 0.26 0.00 0.00 34.13 35.13 2d1u s GLU 79 CO -0.01 -0.21 2.14 -0.25 -0.54 0.00 0.00 175.26 176.40 2d1u n ASP 80 N -0.08 7.05 -3.81 -1.70 8.00 -1.26 -4.84 116.55 119.91 2d1u n ASP 80 Ca -0.03 -3.20 -0.30 0.00 0.71 0.00 0.00 54.79 51.97 2d1u n ASP 80 Cb 0.59 -1.37 -0.14 0.00 -0.02 0.00 0.00 41.12 40.18 2d1u n ASP 80 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2d1u s ALA 81 N -1.09 2.38 -0.15 2.24 0.00 -1.26 -5.08 121.76 118.80 2d1u s ALA 81 Ca 0.47 -2.54 -0.13 0.00 0.00 0.00 0.00 51.96 49.77 2d1u s ALA 81 Cb 0.15 -1.90 0.04 0.00 0.00 0.00 0.00 23.12 21.41 2d1u s ALA 81 CO -0.06 -1.92 0.39 -0.51 0.00 0.00 0.00 175.76 173.67 2d1u s LEU 82 N 0.56 0.38 0.31 0.00 1.43 -1.26 -5.14 118.68 114.96 2d1u s LEU 82 Ca 0.15 0.81 0.09 0.00 -1.03 0.00 0.00 54.13 54.14 2d1u s LEU 82 Cb -0.23 1.34 -0.06 0.00 0.03 0.00 0.00 46.19 47.27 2d1u s LEU 82 CO -0.06 -0.15 -0.10 0.28 0.23 0.00 0.00 176.35 176.55 2d1u s THR 83 N 0.46 2.05 0.01 5.49 -1.32 -1.26 -5.16 115.64 115.92 2d1u s THR 83 Ca -0.02 -2.21 0.02 0.00 -1.21 0.00 0.00 61.69 58.27 2d1u s THR 83 Cb -0.04 -2.50 -0.01 0.00 -1.51 0.00 0.00 72.50 68.44 2d1u s THR 83 CO -0.02 -0.29 -0.07 -0.69 -2.21 0.00 0.00 174.62 171.34 2d1u s VAL 84 N -2.75 0.53 0.39 5.08 1.01 -1.26 -4.93 120.40 118.47 2d1u s VAL 84 Ca 0.31 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.73 2d1u s VAL 84 Cb 0.02 -0.50 -0.00 0.00 0.00 0.00 0.00 36.38 35.89 2d1u s VAL 84 CO 0.14 -0.05 0.04 1.33 0.00 0.00 0.00 175.10 176.57 2d1u n VAL 85 N 2.38 0.00 -3.78 2.92 0.24 -1.26 -5.17 118.33 113.66 2d1u n VAL 85 Ca -0.16 -1.98 -0.11 0.00 -2.04 0.00 0.00 64.34 60.04 2d1u n VAL 85 Cb 0.57 0.51 -0.07 0.00 -1.47 0.00 0.00 33.84 33.37 2d1u n VAL 85 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2d1u s GLY 86 N -3.23 -0.08 -0.01 7.63 0.00 -1.26 -5.08 107.32 105.30 2d1u s GLY 86 Ca 0.06 -0.10 -0.29 0.00 0.00 0.00 0.00 44.72 44.39 2d1u s GLY 86 CO 0.04 -0.30 0.67 -0.35 0.00 0.00 0.00 173.10 173.16 2d1u s ASP 87 N -2.13 -0.64 0.46 1.64 -1.08 -1.26 -5.00 116.67 108.67 2d1u s ASP 87 Ca -0.04 0.57 -0.22 0.00 -0.52 0.00 0.00 52.55 52.33 2d1u s ASP 87 Cb -0.01 0.55 -0.08 0.00 -1.46 0.00 0.00 42.92 41.92 2d1u s ASP 87 CO -0.04 -0.68 1.10 0.86 0.52 0.00 0.00 175.17 176.93 2d1u s TRP 88 N -1.72 3.00 0.06 -5.34 -0.00 -1.26 -4.88 118.94 108.81 2d1u s TRP 88 Ca -0.08 1.58 -0.23 0.00 -0.00 0.00 0.00 56.10 57.37 2d1u s TRP 88 Cb -0.00 -3.22 -0.10 0.00 -0.00 0.00 0.00 33.47 30.15 2d1u s TRP 88 CO 0.05 -1.09 1.36 -0.07 -0.00 0.00 0.00 176.95 177.20 2d1u h LEU 89 N 1.96 -0.99 0.00 5.86 4.07 -1.98 -3.39 115.31 120.84 2d1u h LEU 89 Ca -0.49 0.10 0.00 0.00 0.08 0.00 0.00 57.88 57.56 2d1u h LEU 89 Cb 1.23 0.35 0.00 0.00 1.08 0.00 0.00 40.66 43.33 2d1u h LEU 89 CO 0.60 -0.39 0.00 0.61 -1.08 0.00 0.00 178.44 178.18 2d1u n GLY 90 N -1.34 -0.18 2.89 0.83 0.00 -1.26 -4.20 105.19 101.94 2d1u n GLY 90 Ca -0.06 -1.49 -0.28 0.00 0.00 0.00 0.00 46.02 44.18 2d1u n GLY 90 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2d1u s ASP 91 N -1.28 4.66 -0.03 1.61 2.15 -1.26 -5.07 116.67 117.45 2d1u s ASP 91 Ca 0.00 -3.72 0.06 0.00 0.43 0.00 0.00 52.55 49.32 2d1u s ASP 91 Cb 0.00 -1.60 -0.01 0.00 -0.30 0.00 0.00 42.92 41.01 2d1u s ASP 91 CO 0.00 -0.11 -0.21 0.00 -0.17 0.00 0.00 175.17 174.69 2d1u s ALA 92 N -1.26 1.76 -0.01 3.66 0.00 -1.26 -5.14 121.76 119.51 2d1u s ALA 92 Ca 0.24 -0.88 -0.05 0.00 0.00 0.00 0.00 51.96 51.28 2d1u s ALA 92 Cb -0.07 -0.49 0.00 0.00 0.00 0.00 0.00 23.12 22.56 2d1u s ALA 92 CO -0.15 0.39 0.10 -0.98 0.00 0.00 0.00 175.76 175.12 2d1u s ARG 93 N -0.32 0.32 -0.29 0.00 1.70 -1.26 -5.15 118.95 113.95 2d1u s ARG 93 Ca 0.04 -0.23 -0.16 0.00 -0.47 0.00 0.00 55.73 54.90 2d1u s ARG 93 Cb -0.10 0.13 0.16 0.00 -0.57 0.00 0.00 34.95 34.58 2d1u s ARG 93 CO 0.01 -0.07 1.05 -1.83 -1.08 0.00 0.00 175.30 173.38 2d1u s GLU 94 N -0.86 0.29 -0.29 3.89 -1.05 -1.26 -5.17 118.70 114.25 2d1u s GLU 94 Ca -0.10 0.51 -0.21 0.00 -0.15 0.00 0.00 54.97 55.03 2d1u s GLU 94 Cb -0.06 0.06 0.16 0.00 -0.44 0.00 0.00 34.13 33.86 2d1u s GLU 94 CO 0.01 -0.06 1.17 1.21 0.95 0.00 0.00 175.26 178.53 2d1u s ASN 95 N 1.29 -0.29 -0.28 0.83 2.47 -1.26 -5.16 114.94 112.54 2d1u s ASN 95 Ca -0.09 0.50 -0.05 0.00 0.42 0.00 0.00 52.86 53.65 2d1u s ASN 95 Cb -0.03 0.79 0.15 0.00 -1.45 0.00 0.00 41.25 40.71 2d1u s ASN 95 CO -0.14 -0.08 0.57 1.51 -3.72 0.00 0.00 177.10 175.24 2d1u s ASP 96 N 0.63 -0.97 -0.30 -4.21 -4.77 -1.26 -5.14 116.67 100.65 2d1u s ASP 96 Ca -0.01 1.05 -0.11 0.00 -3.30 0.00 0.00 52.55 50.18 2d1u s ASP 96 Cb -0.04 1.99 0.17 0.00 -1.09 0.00 0.00 42.92 43.94 2d1u s ASP 96 CO -0.12 -0.25 0.86 -0.22 0.70 0.00 0.00 175.17 176.15 2d1u s LEU 97 N 2.80 -0.82 -0.30 2.11 0.20 -1.26 -5.14 118.68 116.27 2d1u s LEU 97 Ca 0.08 0.86 -0.07 0.00 0.69 0.00 0.00 54.13 55.69 2d1u s LEU 97 Cb -0.14 1.83 0.17 0.00 -0.43 0.00 0.00 46.19 47.62 2d1u s LEU 97 CO -0.19 -0.16 0.76 -0.70 -0.29 0.00 0.00 176.35 175.78 2d1u s GLU 98 N 2.72 0.45 -0.02 1.98 2.56 -1.26 -5.17 118.70 119.96 2d1u s GLU 98 Ca 0.02 0.90 -0.17 0.00 0.00 0.00 0.00 54.97 55.72 2d1u s GLU 98 Cb -0.10 0.52 0.03 0.00 2.00 0.00 0.00 34.13 36.58 2d1u s GLU 98 CO -0.17 -0.38 0.36 -1.01 -0.56 0.00 0.00 175.26 173.49 2d1u s HIS 99 N 2.83 -0.24 0.00 5.30 3.76 -1.26 -5.11 115.29 120.58 2d1u s HIS 99 Ca 0.08 0.37 0.00 0.00 -0.15 0.00 0.00 55.06 55.36 2d1u s HIS 99 Cb -0.12 0.14 0.00 0.00 1.11 0.00 0.00 32.58 33.71 2d1u s HIS 99 CO -0.18 -0.42 0.00 1.58 -0.85 0.00 0.00 174.74 174.87 2d1u n HIS 100 N 1.20 0.00 -3.85 1.40 -0.00 -1.26 -5.09 115.22 107.62 2d1u n HIS 100 Ca -0.21 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 57.88 2d1u n HIS 100 Cb 0.56 -0.24 0.01 0.00 -0.12 0.00 0.00 29.99 30.20 2d1u n HIS 100 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2d1u s HIS 101 N -0.61 0.13 0.38 1.57 3.76 -1.26 -5.17 115.29 114.10 2d1u s HIS 101 Ca 0.00 -0.72 -0.16 0.00 -0.15 0.00 0.00 55.06 54.04 2d1u s HIS 101 Cb 0.00 0.71 -0.09 0.00 1.11 0.00 0.00 32.58 34.31 2d1u s HIS 101 CO 0.00 -1.44 0.82 -3.38 -0.85 0.00 0.00 174.74 169.89 2d1u s HIS 102 N -2.80 3.38 -0.36 1.40 -3.43 -1.26 -5.05 115.29 107.16 2d1u s HIS 102 Ca 0.16 1.31 -0.08 0.00 -0.80 0.00 0.00 55.06 55.64 2d1u s HIS 102 Cb -0.05 -2.62 0.04 0.00 -1.43 0.00 0.00 32.58 28.52 2d1u s HIS 102 CO 0.11 -0.03 0.16 -1.58 -2.00 0.00 0.00 174.74 171.40 2d1u s HIS 103 N -2.16 3.27 -2.00 0.38 2.46 -1.26 -5.33 115.29 110.65 2d1u s HIS 103 Ca 0.56 -1.31 0.07 0.00 0.47 0.00 0.00 55.06 54.86 2d1u s HIS 103 Cb -0.10 -2.45 0.43 0.00 -0.13 0.00 0.00 32.58 30.34 2d1u s HIS 103 CO 0.20 -0.73 0.89 -2.39 -2.47 0.00 0.00 174.74 170.25