#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 1.65 -3.86 0.00 -0.06 -1.26 -2.44 117.38 111.41 2d1u n GLN 2 Ca 0.00 0.60 -0.26 0.00 -2.00 0.00 0.00 57.00 55.35 2d1u n GLN 2 Cb 0.00 -2.36 -0.17 0.00 -4.06 0.00 0.00 30.24 23.65 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 3.57 0.82 -0.22 1.69 1.01 0.71 -4.89 120.40 123.09 2d1u s VAL 3 Ca 0.95 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.75 2d1u s VAL 3 Cb -0.88 -0.90 0.03 0.00 0.00 0.00 0.00 36.38 34.63 2d1u s VAL 3 CO 0.58 0.31 -0.13 0.54 0.00 0.00 0.00 175.10 176.40 2d1u s ASN 4 N 1.79 3.84 -0.03 3.32 4.22 -1.26 -2.32 114.94 124.50 2d1u s ASN 4 Ca 0.05 -0.88 0.04 0.00 -2.14 0.00 0.00 52.86 49.92 2d1u s ASN 4 Cb -0.13 -1.56 -0.00 0.00 1.28 0.00 0.00 41.25 40.84 2d1u s ASN 4 CO -0.07 -0.08 -0.15 -0.63 -2.04 0.00 0.00 177.10 174.13 2d1u s ILE 5 N 1.26 1.23 -0.05 0.54 1.01 -0.43 -4.91 121.20 119.85 2d1u s ILE 5 Ca 0.00 -0.62 -0.22 0.00 0.00 0.00 0.00 60.65 59.81 2d1u s ILE 5 Cb -0.16 -1.05 -0.04 0.00 0.01 0.00 0.00 42.46 41.22 2d1u s ILE 5 CO -0.08 0.36 0.65 0.00 0.00 0.00 0.00 174.94 175.86 2d1u s ALA 6 N -0.02 3.39 1.00 9.38 0.00 -1.26 -2.51 121.76 131.75 2d1u s ALA 6 Ca -0.01 0.07 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 20.16 2d1u s ALA 6 CO 0.01 -0.01 0.00 -0.35 0.00 0.00 0.00 175.76 175.41 2d1u n PRO 7 N 3.46 0.00 0.00 0.00 -0.04 -1.26 -4.69 135.00 132.47 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 2.43 0.74 0.00 0.55 0.00 -1.26 -4.98 105.19 102.67 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 -4.96 113.62 116.54 2d1u n SER 9 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.77 2d1u n SER 9 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 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 0.64 -0.96 -3.43 6.46 -1.78 -2.45 115.31 113.79 2d1u h LEU 10 Ca 0.00 -0.36 -0.01 0.00 -0.12 0.00 0.00 57.88 57.39 2d1u h LEU 10 Cb 0.00 -0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 39.71 2d1u h LEU 10 CO 0.00 0.85 0.55 -2.24 -0.62 0.00 0.00 178.44 176.98 2d1u h ASP 11 N 0.42 1.13 0.60 1.25 2.03 -1.93 -0.32 116.42 119.60 2d1u h ASP 11 Ca 0.08 -0.07 -0.03 0.00 -0.73 0.00 0.00 57.03 56.28 2d1u h ASP 11 Cb 0.57 -0.28 0.01 0.00 -0.83 0.00 0.00 39.33 38.79 2d1u h ASP 11 CO 0.03 0.87 -0.29 0.11 -1.03 0.00 0.00 179.24 178.93 2d1u h LYS 12 N 1.29 -0.78 -0.87 4.15 1.79 -1.94 -2.64 116.57 117.57 2d1u h LYS 12 Ca 0.33 0.05 0.05 0.00 -2.18 0.00 0.00 60.65 58.91 2d1u h LYS 12 Cb -0.04 0.18 -0.05 0.00 -1.58 0.00 0.00 32.23 30.74 2d1u h LYS 12 CO -0.06 -0.49 0.57 0.00 -1.08 0.00 0.00 179.45 178.40 2d1u h ALA 13 N -0.57 1.50 -0.34 3.86 0.00 -1.33 -0.94 119.26 121.45 2d1u h ALA 13 Ca -0.08 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.86 2d1u h ALA 13 Cb 0.66 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 2d1u h ALA 13 CO 0.14 0.39 -0.04 1.25 0.00 0.00 0.00 179.25 180.98 2d1u h LEU 14 N 1.03 -0.23 -0.69 0.00 5.85 -0.90 -0.03 115.31 120.34 2d1u h LEU 14 Ca 0.36 0.09 -0.14 0.00 0.84 0.00 0.00 57.88 59.03 2d1u h LEU 14 Cb 0.12 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 2d1u h LEU 14 CO -0.12 -0.08 -0.58 0.78 -0.34 0.00 0.00 178.44 178.11 2d1u h ASN 15 N 0.04 0.28 0.58 1.25 2.35 -1.07 -0.59 115.58 118.42 2d1u h ASN 15 Ca 0.16 -0.15 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 2d1u h ASN 15 Cb 0.24 -0.08 0.01 0.00 0.05 0.00 0.00 38.32 38.53 2d1u h ASN 15 CO -0.31 0.79 -0.28 1.56 -1.65 0.00 0.00 177.43 177.54 2d1u h GLN 16 N 0.19 -0.75 -0.23 0.81 1.08 -0.20 0.35 115.11 116.34 2d1u h GLN 16 Ca -0.00 0.05 -0.16 0.00 -1.45 0.00 0.00 58.65 57.09 2d1u h GLN 16 Cb 1.07 0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 28.66 2d1u h GLN 16 CO 0.09 -0.49 -0.51 0.10 -0.95 0.00 0.00 178.83 177.06 2d1u h TYR 17 N -0.81 0.81 -0.17 2.96 -0.00 -1.09 -2.76 116.97 115.92 2d1u h TYR 17 Ca -0.08 -0.28 -0.02 0.00 0.00 0.00 0.00 58.73 58.35 2d1u h TYR 17 Cb 0.61 -0.16 -0.01 0.00 0.00 0.00 0.00 36.73 37.17 2d1u h TYR 17 CO -0.03 1.03 0.00 0.00 -0.00 0.00 0.00 178.16 179.16 2d1u h ALA 18 N 0.92 1.69 0.00 0.10 0.00 -1.03 -1.55 119.26 119.39 2d1u h ALA 18 Ca 0.02 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 2d1u h ALA 18 Cb 1.07 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2d1u h ALA 18 CO 0.10 0.23 -0.77 0.00 0.00 0.00 0.00 179.25 178.81 2d1u h ALA 19 N 1.77 0.57 0.00 0.00 0.00 -0.78 -1.87 119.26 118.96 2d1u h ALA 19 Ca 0.06 -0.70 -0.11 0.00 0.00 0.00 0.00 54.91 54.16 2d1u h ALA 19 Cb 0.16 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2d1u h ALA 19 CO 0.00 0.97 -0.51 1.12 0.00 0.00 0.00 179.25 180.83 2d1u h HIS 20 N 0.00 0.00 0.00 0.00 2.07 -1.06 -3.36 115.15 112.80 2d1u h HIS 20 Ca -0.01 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.51 2d1u h HIS 20 Cb 1.51 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.49 2d1u h HIS 20 CO 0.00 0.51 -0.35 1.03 -3.07 0.00 0.00 177.93 176.06 2d1u h SER 21 N 0.00 0.00 0.00 3.10 0.87 -1.31 -3.50 113.55 112.71 2d1u h SER 21 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2d1u h SER 21 Cb 1.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 2d1u h SER 21 CO 0.07 0.63 0.00 0.61 -0.53 0.00 0.00 176.83 177.61 2d1u n GLY 22 N 1.67 1.67 3.61 5.77 0.00 -0.71 -5.06 105.19 112.14 2d1u n GLY 22 Ca -0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 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 2.41 0.12 1.61 -0.71 -1.25 -5.10 117.98 113.07 2d1u s PHE 23 Ca 0.00 -0.73 0.04 0.00 -1.04 0.00 0.00 56.93 55.20 2d1u s PHE 23 Cb 0.00 -1.71 -0.04 0.00 -1.21 0.00 0.00 43.02 40.06 2d1u s PHE 23 CO 0.00 0.38 0.12 0.99 -1.34 0.00 0.00 175.22 175.37 2d1u s THR 24 N -2.79 4.60 -0.02 -4.49 2.01 -1.01 -4.86 115.64 109.09 2d1u s THR 24 Ca 0.33 -0.88 0.00 0.00 0.31 0.00 0.00 61.69 61.46 2d1u s THR 24 Cb 0.09 -3.28 0.02 0.00 0.01 0.00 0.00 72.50 69.34 2d1u s THR 24 CO 0.17 0.01 -0.00 -0.22 -0.69 0.00 0.00 174.62 173.89 2d1u s LEU 25 N -2.75 1.45 -0.31 4.42 2.96 -1.26 -1.59 118.68 121.59 2d1u s LEU 25 Ca 0.31 -0.02 0.03 0.00 -0.22 0.00 0.00 54.13 54.23 2d1u s LEU 25 Cb -0.11 -0.15 0.09 0.00 0.50 0.00 0.00 46.19 46.51 2d1u s LEU 25 CO 0.23 -0.06 -0.00 -0.44 -1.32 0.00 0.00 176.35 174.76 2d1u s SER 26 N 0.65 4.62 -0.02 3.68 0.01 0.11 -4.92 113.70 117.84 2d1u s SER 26 Ca -0.06 -1.88 0.03 0.00 1.31 0.00 0.00 55.95 55.35 2d1u s SER 26 Cb -0.09 -1.57 -0.00 0.00 0.21 0.00 0.00 66.02 64.57 2d1u s SER 26 CO -0.01 -0.32 -0.10 0.54 0.41 0.00 0.00 173.24 173.76 2d1u s VAL 27 N 1.00 0.83 -0.60 3.43 0.11 -1.26 -4.13 120.40 119.77 2d1u s VAL 27 Ca 0.04 -0.42 -0.27 0.00 -2.93 0.00 0.00 61.98 58.40 2d1u s VAL 27 Cb -0.19 -0.71 -0.10 0.00 -1.53 0.00 0.00 36.38 33.85 2d1u s VAL 27 CO -0.08 0.24 2.47 0.47 -3.33 0.00 0.00 175.10 174.87 2d1u n ASP 28 N 3.00 1.90 0.00 3.54 8.00 -1.26 -4.75 116.55 126.97 2d1u n ASP 28 Ca -0.15 -0.44 0.10 0.00 0.71 0.00 0.00 54.79 55.00 2d1u n ASP 28 Cb 0.55 -1.46 0.46 0.00 -0.02 0.00 0.00 41.12 40.65 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 15.04 1.97 -0.18 2.24 0.00 -1.26 -3.56 120.51 134.77 2d1u n ALA 29 Ca 0.43 -0.08 -0.01 0.00 0.00 0.00 0.00 53.44 53.78 2d1u n ALA 29 Cb 0.45 -1.32 0.08 0.00 0.00 0.00 0.00 19.45 18.65 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 -0.19 0.45 0.00 0.87 -1.96 0.69 113.55 113.41 2d1u h SER 30 Ca 0.00 0.13 -0.31 0.00 -1.23 0.00 0.00 61.79 60.38 2d1u h SER 30 Cb 0.28 0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 2d1u h SER 30 CO 0.00 -0.07 -1.48 -0.07 -0.53 0.00 0.00 176.83 174.68 2d1u h LEU 31 N 0.14 0.46 -1.47 2.23 4.07 -1.98 -3.31 115.31 115.46 2d1u h LEU 31 Ca 0.28 -0.59 0.11 0.00 0.08 0.00 0.00 57.88 57.76 2d1u h LEU 31 Cb 0.43 -0.15 -0.05 0.00 1.08 0.00 0.00 40.66 41.97 2d1u h LEU 31 CO -0.44 1.48 0.48 0.74 -1.08 0.00 0.00 178.44 179.62 2d1u h THR 32 N 0.08 0.90 -1.33 0.22 2.02 -1.52 -3.40 112.91 109.88 2d1u h THR 32 Ca -0.23 -0.20 -0.47 0.00 0.77 0.00 0.00 66.41 66.28 2d1u h THR 32 Cb 2.03 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 68.70 2d1u h THR 32 CO 0.18 0.11 1.66 0.54 0.37 0.00 0.00 175.52 178.38 2d1u n ARG 33 N -4.49 0.87 0.00 6.66 5.12 0.18 -0.34 116.66 124.65 2d1u n ARG 33 Ca 0.13 -0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.04 2d1u n ARG 33 Cb 0.37 -3.12 0.00 0.00 -1.16 0.00 0.00 32.46 28.56 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 6.09 1.06 3.40 -0.13 0.00 -1.26 -5.04 105.19 109.31 2d1u n GLY 34 Ca 0.42 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.22 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 0.00 1.49 0.52 1.61 1.02 0.53 -5.13 119.74 119.78 2d1u s LYS 35 Ca 0.00 -1.64 0.03 0.00 0.02 0.00 0.00 55.97 54.38 2d1u s LYS 35 Cb 0.00 -1.48 0.00 0.00 -0.52 0.00 0.00 37.83 35.84 2d1u s LYS 35 CO 0.00 0.27 0.16 -0.65 -0.92 0.00 0.00 175.35 174.21 2d1u s GLN 36 N -3.42 2.22 0.04 1.68 1.11 -1.26 -3.18 119.66 116.84 2d1u s GLN 36 Ca 0.25 -2.24 0.01 0.00 0.01 0.00 0.00 55.36 53.39 2d1u s GLN 36 Cb -0.04 -1.76 -0.03 0.00 -1.01 0.00 0.00 33.01 30.18 2d1u s GLN 36 CO 0.11 -0.45 -0.05 0.45 0.01 0.00 0.00 175.29 175.36 2d1u s SER 37 N -4.03 0.57 -0.21 5.90 0.15 -1.26 -4.53 113.70 110.29 2d1u s SER 37 Ca 0.18 -0.61 -0.29 0.00 0.70 0.00 0.00 55.95 55.93 2d1u s SER 37 Cb 0.00 0.09 -0.01 0.00 -1.71 0.00 0.00 66.02 64.39 2d1u s SER 37 CO 0.11 -0.31 1.23 0.20 1.20 0.00 0.00 173.24 175.67 2d1u s ASN 38 N -1.78 6.91 1.14 5.45 0.01 -0.92 -4.19 114.94 121.57 2d1u s ASN 38 Ca -0.09 1.51 -0.18 0.00 -0.71 0.00 0.00 52.86 53.40 2d1u s ASN 38 Cb -0.07 -2.54 0.17 0.00 0.41 0.00 0.00 41.25 39.22 2d1u s ASN 38 CO -0.02 -0.82 0.24 0.61 -1.51 0.00 0.00 177.10 175.61 2d1u n GLY 39 N 3.72 -2.58 3.71 0.66 0.00 -1.26 -4.19 105.19 105.25 2d1u n GLY 39 Ca 0.14 -0.92 -0.25 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.29 3.48 -0.29 0.99 2.96 -1.04 -4.78 118.68 117.71 2d1u s LEU 40 Ca 0.55 -0.35 0.03 0.00 -0.22 0.00 0.00 54.13 54.14 2d1u s LEU 40 Cb -0.12 -2.09 0.20 0.00 0.50 0.00 0.00 46.19 44.68 2d1u s LEU 40 CO 0.60 0.05 0.64 -2.28 -1.32 0.00 0.00 176.35 174.04 2d1u s HIS 41 N -1.88 -1.68 0.00 5.38 2.46 -0.98 -1.32 115.29 117.28 2d1u s HIS 41 Ca 0.30 1.12 0.00 0.00 0.47 0.00 0.00 55.06 56.95 2d1u s HIS 41 Cb -0.09 0.34 0.00 0.00 -0.13 0.00 0.00 32.58 32.70 2d1u s HIS 41 CO 0.21 -0.97 0.00 0.41 -2.47 0.00 0.00 174.74 171.92 2d1u n GLY 42 N 5.40 1.46 3.56 1.59 0.00 -1.11 -4.95 105.19 111.13 2d1u n GLY 42 Ca 0.04 -2.06 -0.41 0.00 0.00 0.00 0.00 46.02 43.58 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 0.00 6.22 -0.04 1.61 -4.77 -1.26 -0.21 116.67 118.21 2d1u s ASP 43 Ca 0.00 -0.31 0.01 0.00 -3.30 0.00 0.00 52.55 48.94 2d1u s ASP 43 Cb 0.00 -2.56 0.02 0.00 -1.09 0.00 0.00 42.92 39.30 2d1u s ASP 43 CO 0.00 -1.76 -0.03 -0.31 0.70 0.00 0.00 175.17 173.77 2d1u s TYR 44 N 5.59 0.64 0.68 2.11 2.02 -1.02 -4.54 117.35 122.83 2d1u s TYR 44 Ca 0.37 -0.15 -0.11 0.00 -0.37 0.00 0.00 57.07 56.80 2d1u s TYR 44 Cb -0.08 -0.62 0.18 0.00 -0.40 0.00 0.00 41.96 41.03 2d1u s TYR 44 CO 0.17 -0.20 0.47 -0.25 -1.57 0.00 0.00 175.55 174.18 2d1u n ASP 45 N 4.22 -2.54 -0.11 2.29 8.00 -1.26 -4.19 116.55 122.96 2d1u n ASP 45 Ca -0.23 -0.57 -0.07 0.00 0.71 0.00 0.00 54.79 54.63 2d1u n ASP 45 Cb 0.51 -0.49 0.01 0.00 -0.02 0.00 0.00 41.12 41.12 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 -2.57 1.02 0.07 2.53 3.04 -1.96 0.32 116.25 118.70 2d1u h VAL 46 Ca -0.20 -0.14 -0.00 0.00 -1.01 0.00 0.00 66.70 65.35 2d1u h VAL 46 Cb 0.64 0.57 0.00 0.00 -2.01 0.00 0.00 31.29 30.49 2d1u h VAL 46 CO 0.12 0.08 -0.03 -0.33 -1.01 0.00 0.00 177.57 176.40 2d1u h GLU 47 N 0.42 -0.08 -0.16 4.17 5.08 -1.98 -1.58 114.58 120.44 2d1u h GLU 47 Ca 0.15 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.56 2d1u h GLU 47 Cb 0.02 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.24 2d1u h GLU 47 CO -0.08 0.49 -0.15 0.77 -1.00 0.00 0.00 179.01 179.05 2d1u h SER 48 N -0.78 -0.47 -0.63 1.42 0.02 -1.88 -0.10 113.55 111.13 2d1u h SER 48 Ca -0.01 0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 60.97 2d1u h SER 48 Cb 0.62 0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.36 2d1u h SER 48 CO 0.01 -0.19 0.16 1.23 -1.14 0.00 0.00 176.83 176.90 2d1u h GLY 49 N -0.17 1.08 0.85 -3.77 0.00 -0.47 -2.04 103.07 98.55 2d1u h GLY 49 Ca 0.10 -0.67 0.00 0.00 0.00 0.00 0.00 47.33 46.76 2d1u h GLY 49 CO -0.26 0.63 -0.14 -2.00 0.00 0.00 0.00 176.54 174.77 2d1u h LEU 50 N 0.92 -0.36 -2.18 3.11 5.85 -0.78 -1.54 115.31 120.34 2d1u h LEU 50 Ca 0.20 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 2d1u h LEU 50 Cb 0.35 0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.50 2d1u h LEU 50 CO 0.00 -0.21 -0.07 1.56 -0.34 0.00 0.00 178.44 179.39 2d1u h GLN 51 N -0.31 0.00 0.00 1.25 1.08 -0.98 -1.30 115.11 114.85 2d1u h GLN 51 Ca -0.00 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.09 2d1u h GLN 51 Cb 0.29 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.70 2d1u h GLN 51 CO -0.03 0.07 -0.53 1.96 -0.95 0.00 0.00 178.83 179.35 2d1u h GLN 52 N 0.00 0.00 0.22 1.46 1.08 -0.56 -0.44 115.11 116.87 2d1u h GLN 52 Ca -0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 2d1u h GLN 52 Cb 0.20 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.63 2d1u h GLN 52 CO 0.01 0.53 -0.10 -0.07 -0.95 0.00 0.00 178.83 178.24 2d1u h LEU 53 N 0.00 -0.25 -0.00 1.46 4.07 -0.32 -3.24 115.31 117.04 2d1u h LEU 53 Ca -0.01 -0.25 0.00 0.00 0.08 0.00 0.00 57.88 57.70 2d1u h LEU 53 Cb 1.18 0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.98 2d1u h LEU 53 CO 0.07 0.28 -0.00 0.00 -1.08 0.00 0.00 178.44 177.71 2d1u n LEU 54 N -4.97 0.01 -4.57 1.67 -0.00 -1.13 -2.16 117.00 105.86 2d1u n LEU 54 Ca -0.07 0.20 -0.49 0.00 -0.00 0.00 0.00 56.01 55.65 2d1u n LEU 54 Cb 0.24 -0.21 -0.04 0.00 -0.00 0.00 0.00 43.42 43.42 2d1u n LEU 54 CO 0.22 0.00 0.66 -0.90 -0.00 0.00 0.00 177.39 177.37 2d1u n ASP 55 N -1.20 1.13 0.00 1.45 5.75 -0.17 -3.83 116.55 119.67 2d1u n ASP 55 Ca 0.17 1.14 0.00 0.00 -0.01 0.00 0.00 54.79 56.09 2d1u n ASP 55 Cb 0.21 -1.19 0.00 0.00 -1.03 0.00 0.00 41.12 39.11 2d1u n ASP 55 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2d1u n GLY 56 N 1.94 2.00 0.06 6.12 0.00 -1.26 -4.79 105.19 109.25 2d1u n GLY 56 Ca 0.15 -0.12 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 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 2.91 -1.09 1.61 3.41 -1.25 -5.11 113.62 114.10 2d1u n SER 57 Ca 0.00 -0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 2d1u n SER 57 Cb 0.00 0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 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 2.77 -2.10 3.44 5.00 0.00 -1.26 -5.10 105.19 107.94 2d1u n GLY 58 Ca -0.20 -0.44 -0.22 0.00 0.00 0.00 0.00 46.02 45.16 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 2.01 -0.09 0.99 1.02 -1.26 -4.60 118.68 116.75 2d1u s LEU 59 Ca 0.00 -1.47 -0.01 0.00 0.02 0.00 0.00 54.13 52.67 2d1u s LEU 59 Cb 0.00 -0.21 -0.03 0.00 0.02 0.00 0.00 46.19 45.97 2d1u s LEU 59 CO 0.00 -0.73 -0.04 0.00 0.02 0.00 0.00 176.35 175.60 2d1u s GLN 60 N -3.86 2.99 -0.08 1.70 -2.07 -0.77 -4.96 119.66 112.60 2d1u s GLN 60 Ca 0.33 -0.49 0.04 0.00 -1.82 0.00 0.00 55.36 53.42 2d1u s GLN 60 Cb 0.07 -2.72 -0.00 0.00 -1.09 0.00 0.00 33.01 29.26 2d1u s GLN 60 CO 0.15 0.61 -0.21 0.08 -1.32 0.00 0.00 175.29 174.60 2d1u s VAL 61 N -0.65 1.79 -0.02 3.63 1.01 -1.26 -0.33 120.40 124.57 2d1u s VAL 61 Ca 0.10 -0.88 -0.02 0.00 0.00 0.00 0.00 61.98 61.18 2d1u s VAL 61 Cb -0.12 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.72 2d1u s VAL 61 CO 0.02 0.50 0.05 -1.59 0.00 0.00 0.00 175.10 174.08 2d1u s LYS 62 N 0.24 0.11 0.80 2.72 0.00 -1.04 -4.96 119.74 117.61 2d1u s LYS 62 Ca -0.12 -0.01 -0.11 0.00 0.00 0.00 0.00 55.97 55.73 2d1u s LYS 62 Cb -0.16 0.05 0.07 0.00 0.00 0.00 0.00 37.83 37.79 2d1u s LYS 62 CO 0.06 -0.02 1.09 -1.25 0.00 0.00 0.00 175.35 175.23 2d1u s PRO 63 N -0.17 2.03 -0.00 1.78 0.04 -1.26 -2.17 135.00 135.24 2d1u s PRO 63 Ca -0.02 1.09 -0.04 0.00 0.04 0.00 0.00 61.00 62.07 2d1u s PRO 63 Cb -0.02 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.63 2d1u s PRO 63 CO 0.00 -1.78 -0.08 1.28 0.04 0.00 0.00 177.00 176.46 2d1u n LEU 64 N -3.61 1.02 0.00 -3.56 4.77 0.17 -4.90 117.00 110.89 2d1u n LEU 64 Ca 0.09 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 2d1u n LEU 64 Cb 0.53 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 2d1u n LEU 64 CO 0.54 -0.36 0.00 0.61 -1.33 0.00 0.00 177.39 176.84 2d1u n GLY 65 N 2.86 2.00 0.00 -0.72 0.00 -1.26 -5.02 105.19 103.05 2d1u n GLY 65 Ca -0.07 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 -0.90 1.61 5.15 -1.26 -4.61 115.26 115.25 2d1u n ASN 66 Ca 0.00 0.33 0.05 0.00 -0.60 0.00 0.00 54.58 54.36 2d1u n ASN 66 Cb 0.00 0.00 0.13 0.00 -0.53 0.00 0.00 39.78 39.38 2d1u n ASN 66 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2d1u n ASN 67 N -0.39 1.41 -4.60 1.20 4.05 -1.26 -5.04 115.26 110.63 2d1u n ASN 67 Ca 0.00 -3.07 -0.40 0.00 0.45 0.00 0.00 54.58 51.56 2d1u n ASN 67 Cb 0.00 -0.42 -0.08 0.00 1.23 0.00 0.00 39.78 40.50 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 -2.67 6.35 0.15 1.20 1.04 -1.26 -2.40 113.70 116.12 2d1u s SER 68 Ca 0.35 0.36 0.07 0.00 0.48 0.00 0.00 55.95 57.21 2d1u s SER 68 Cb 0.36 -2.25 -0.04 0.00 0.10 0.00 0.00 66.02 64.18 2d1u s SER 68 CO -0.10 -0.28 -0.05 0.26 0.98 0.00 0.00 173.24 174.05 2d1u s TRP 69 N 2.24 2.77 0.07 5.02 0.52 -0.62 0.41 118.94 129.35 2d1u s TRP 69 Ca 0.19 -0.15 0.02 0.00 0.02 0.00 0.00 56.10 56.17 2d1u s TRP 69 Cb -0.16 -1.39 -0.03 0.00 -1.15 0.00 0.00 33.47 30.74 2d1u s TRP 69 CO 0.10 0.48 -0.07 -0.08 0.02 0.00 0.00 176.95 177.40 2d1u s THR 70 N -1.53 0.65 -0.22 2.01 -1.32 -0.92 0.04 115.64 114.35 2d1u s THR 70 Ca 0.25 -1.56 -0.09 0.00 -1.21 0.00 0.00 61.69 59.07 2d1u s THR 70 Cb -0.10 -1.21 -0.05 0.00 -1.51 0.00 0.00 72.50 69.63 2d1u s THR 70 CO 0.16 -0.65 0.12 -0.76 -2.21 0.00 0.00 174.62 171.29 2d1u s LEU 71 N -2.39 4.00 -0.04 9.08 2.01 -1.26 -2.48 118.68 127.60 2d1u s LEU 71 Ca 0.02 0.09 0.07 0.00 0.01 0.00 0.00 54.13 54.32 2d1u s LEU 71 Cb -0.02 -2.05 -0.01 0.00 0.01 0.00 0.00 46.19 44.12 2d1u s LEU 71 CO -0.02 0.10 -0.24 -0.70 1.01 0.00 0.00 176.35 176.50 2d1u s GLU 72 N 0.83 2.19 -0.03 1.70 2.12 0.55 -4.87 118.70 121.18 2d1u s GLU 72 Ca 0.06 -0.87 -0.30 0.00 0.36 0.00 0.00 54.97 54.23 2d1u s GLU 72 Cb -0.13 -1.98 -0.05 0.00 0.26 0.00 0.00 34.13 32.22 2d1u s GLU 72 CO 0.02 0.45 1.47 -1.25 -0.54 0.00 0.00 175.26 175.42 2d1u s PRO 73 N -0.37 4.24 0.25 4.30 0.04 -1.26 -1.86 135.00 140.35 2d1u s PRO 73 Ca 0.03 2.02 0.06 0.00 0.04 0.00 0.00 61.00 63.16 2d1u s PRO 73 Cb -0.11 -3.70 -0.03 0.00 0.04 0.00 0.00 34.50 30.69 2d1u s PRO 73 CO 0.01 -0.67 0.26 0.00 0.04 0.00 0.00 177.00 176.64 2d1u s ALA 74 N 2.96 3.73 0.35 8.56 0.00 -1.26 -4.92 121.76 131.18 2d1u s ALA 74 Ca 0.66 -1.36 -0.27 0.00 0.00 0.00 0.00 51.96 50.98 2d1u s ALA 74 Cb -0.32 -1.45 -0.09 0.00 0.00 0.00 0.00 23.12 21.26 2d1u s ALA 74 CO 0.26 0.23 1.21 -1.25 0.00 0.00 0.00 175.76 176.22 2d1u s PRO 75 N -3.90 4.29 0.94 0.00 0.04 -1.26 -5.00 135.00 130.11 2d1u s PRO 75 Ca 0.34 1.99 -0.11 0.00 0.04 0.00 0.00 61.00 63.26 2d1u s PRO 75 Cb -0.08 -2.94 0.12 0.00 0.04 0.00 0.00 34.50 31.64 2d1u s PRO 75 CO 0.27 -0.16 0.92 0.00 0.04 0.00 0.00 177.00 178.07 2d1u n ALA 76 N 0.60 -1.45 -1.18 8.56 0.00 -1.26 -4.99 120.51 120.79 2d1u n ALA 76 Ca 0.01 -0.61 -0.29 0.00 0.00 0.00 0.00 53.44 52.55 2d1u n ALA 76 Cb 0.44 -2.07 0.16 0.00 0.00 0.00 0.00 19.45 17.98 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 -4.34 0.81 -0.46 0.00 0.04 -1.26 -4.89 135.00 124.90 2d1u s PRO 77 Ca 0.64 0.66 -0.27 0.00 0.04 0.00 0.00 61.00 62.07 2d1u s PRO 77 Cb -0.22 -1.77 -0.05 0.00 0.04 0.00 0.00 34.50 32.50 2d1u s PRO 77 CO 0.61 -2.51 2.17 0.21 0.04 0.00 0.00 177.00 177.52 2d1u s LYS 78 N -4.95 2.54 -0.07 4.56 2.36 -1.26 -4.89 119.74 118.03 2d1u s LYS 78 Ca 0.64 1.30 -0.36 0.00 -2.55 0.00 0.00 55.97 55.01 2d1u s LYS 78 Cb -0.18 -4.46 -0.14 0.00 -1.05 0.00 0.00 37.83 32.00 2d1u s LYS 78 CO 0.57 -2.79 1.70 -0.85 1.55 0.00 0.00 175.35 175.53 2d1u n GLU 79 N 8.95 1.71 -3.36 4.03 0.28 -1.26 -4.94 120.64 126.05 2d1u n GLU 79 Ca 0.30 0.62 0.02 0.00 -0.16 0.00 0.00 57.16 57.94 2d1u n GLU 79 Cb 0.52 -2.38 -0.03 0.00 1.43 0.00 0.00 31.44 30.98 2d1u n GLU 79 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2d1u s ASP 80 N 2.76 -1.07 0.43 -1.84 -1.08 -1.26 -5.02 116.67 109.58 2d1u s ASP 80 Ca 0.90 1.03 0.22 0.00 -0.52 0.00 0.00 52.55 54.19 2d1u s ASP 80 Cb -0.84 2.04 0.90 0.00 -1.46 0.00 0.00 42.92 43.56 2d1u s ASP 80 CO 0.52 -0.20 1.83 0.00 0.52 0.00 0.00 175.17 177.84 2d1u h ALA 81 N 7.92 1.05 -5.57 3.66 0.00 -2.05 -3.47 119.26 120.80 2d1u h ALA 81 Ca -0.19 -0.24 -0.29 0.00 0.00 0.00 0.00 54.91 54.19 2d1u h ALA 81 Cb 1.13 -0.04 0.18 0.00 0.00 0.00 0.00 17.79 19.06 2d1u h ALA 81 CO 0.14 0.33 -0.82 -0.11 0.00 0.00 0.00 179.25 178.78 2d1u n LEU 82 N -3.48 -4.82 -3.36 0.00 0.00 -1.26 -4.93 117.00 99.15 2d1u n LEU 82 Ca -0.00 -0.68 -0.39 0.00 0.00 0.00 0.00 56.01 54.94 2d1u n LEU 82 Cb 0.43 -3.16 0.02 0.00 0.00 0.00 0.00 43.42 40.71 2d1u n LEU 82 CO 0.34 0.24 1.29 1.07 0.00 0.00 0.00 177.39 180.33 2d1u n THR 83 N -3.68 5.10 -3.51 1.96 5.66 -1.26 -4.81 114.28 113.74 2d1u n THR 83 Ca -0.18 -5.52 -0.18 0.00 -3.05 0.00 0.00 64.05 55.13 2d1u n THR 83 Cb 0.64 -1.45 -0.13 0.00 -1.55 0.00 0.00 70.33 67.84 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 -4.57 -0.33 -1.13 1.08 1.01 -1.26 -4.93 120.40 110.26 2d1u s VAL 84 Ca 0.43 -0.06 -0.15 0.00 0.00 0.00 0.00 61.98 62.20 2d1u s VAL 84 Cb 0.27 -0.65 -0.02 0.00 0.00 0.00 0.00 36.38 35.97 2d1u s VAL 84 CO -0.20 -0.16 0.82 0.52 0.00 0.00 0.00 175.10 176.07 2d1u n VAL 85 N 5.32 -6.61 0.00 2.92 0.31 -1.26 -5.00 118.33 114.01 2d1u n VAL 85 Ca -0.05 -1.03 0.00 0.00 -0.01 0.00 0.00 64.34 63.25 2d1u n VAL 85 Cb 0.50 -4.87 0.00 0.00 -0.91 0.00 0.00 33.84 28.56 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 -1.56 0.83 0.11 2.92 0.00 -1.26 -4.92 105.19 101.31 2d1u n GLY 86 Ca -0.11 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.77 2d1u n GLY 86 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2d1u h ASP 87 N 0.00 0.42 -5.14 1.61 3.32 -1.97 -3.49 116.42 111.17 2d1u h ASP 87 Ca 0.00 -0.42 0.01 0.00 0.02 0.00 0.00 57.03 56.64 2d1u h ASP 87 Cb 0.00 -0.13 -0.09 0.00 0.22 0.00 0.00 39.33 39.33 2d1u h ASP 87 CO 0.00 1.30 -1.35 1.87 -1.72 0.00 0.00 179.24 179.34 2d1u n TRP 88 N -3.57 -4.06 0.00 4.55 -0.00 -1.26 -4.95 117.44 108.14 2d1u n TRP 88 Ca -0.08 2.21 -0.04 0.00 -0.00 0.00 0.00 57.50 59.59 2d1u n TRP 88 Cb 0.97 -3.75 -0.11 0.00 -0.00 0.00 0.00 31.31 28.42 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 1.47 0.80 -0.02 5.87 7.94 -1.26 -5.08 117.00 126.72 2d1u n LEU 89 Ca -0.28 0.37 0.00 0.00 -1.11 0.00 0.00 56.01 54.99 2d1u n LEU 89 Cb 0.44 0.14 0.00 0.00 0.53 0.00 0.00 43.42 44.53 2d1u n LEU 89 CO 0.39 0.27 0.00 0.61 -1.11 0.00 0.00 177.39 177.54 2d1u n GLY 90 N 1.48 0.44 2.36 -3.96 0.00 -1.26 -4.82 105.19 99.43 2d1u n GLY 90 Ca -0.14 -1.25 -0.39 0.00 0.00 0.00 0.00 46.02 44.23 2d1u n GLY 90 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2d1u n ASP 91 N -0.10 8.37 -4.25 1.61 5.75 -1.26 -4.88 116.55 121.79 2d1u n ASP 91 Ca 0.00 -2.67 -0.26 0.00 -0.01 0.00 0.00 54.79 51.86 2d1u n ASP 91 Cb 0.00 -1.54 -0.14 0.00 -1.03 0.00 0.00 41.12 38.41 2d1u n ASP 91 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2d1u s ALA 92 N 1.78 1.76 -0.07 2.12 0.00 -1.26 -5.14 121.76 120.96 2d1u s ALA 92 Ca 0.66 -1.06 0.01 0.00 0.00 0.00 0.00 51.96 51.57 2d1u s ALA 92 Cb 0.18 -0.35 0.02 0.00 0.00 0.00 0.00 23.12 22.97 2d1u s ALA 92 CO -0.07 0.40 -0.07 1.03 0.00 0.00 0.00 175.76 177.05 2d1u s ARG 93 N -1.16 1.18 -0.35 0.00 0.52 -1.26 -5.12 118.95 112.77 2d1u s ARG 93 Ca 0.07 -0.20 -0.18 0.00 -0.52 0.00 0.00 55.73 54.91 2d1u s ARG 93 Cb -0.09 -1.16 -0.01 0.00 0.52 0.00 0.00 34.95 34.22 2d1u s ARG 93 CO 0.02 -0.11 0.49 -2.00 0.02 0.00 0.00 175.30 173.71 2d1u s GLU 94 N 1.11 3.62 -0.19 3.54 -6.30 -1.26 -5.03 118.70 114.20 2d1u s GLU 94 Ca -0.07 -0.19 -0.29 0.00 -2.50 0.00 0.00 54.97 51.91 2d1u s GLU 94 Cb -0.14 -3.80 -0.02 0.00 0.00 0.00 0.00 34.13 30.16 2d1u s GLU 94 CO -0.01 -0.61 1.40 1.21 0.02 0.00 0.00 175.26 177.27 2d1u s ASN 95 N 1.75 6.74 -0.28 -1.70 2.47 -1.26 -4.98 114.94 117.68 2d1u s ASN 95 Ca 0.17 1.67 -0.21 0.00 0.42 0.00 0.00 52.86 54.91 2d1u s ASN 95 Cb -0.16 -2.54 0.09 0.00 -1.45 0.00 0.00 41.25 37.20 2d1u s ASN 95 CO 0.13 -0.95 0.81 -0.62 -3.72 0.00 0.00 177.10 172.75 2d1u s ASP 96 N 2.80 -0.71 -0.85 -4.21 2.15 -1.26 -5.11 116.67 109.48 2d1u s ASP 96 Ca 0.61 1.27 -0.23 0.00 0.43 0.00 0.00 52.55 54.63 2d1u s ASP 96 Cb -0.23 1.29 0.07 0.00 -0.30 0.00 0.00 42.92 43.74 2d1u s ASP 96 CO 0.22 -0.21 1.23 -0.22 -0.17 0.00 0.00 175.17 176.02 2d1u s LEU 97 N 0.82 3.91 -0.29 -1.34 1.98 -1.26 -4.78 118.68 117.72 2d1u s LEU 97 Ca -0.03 -1.20 0.17 0.00 -2.89 0.00 0.00 54.13 50.18 2d1u s LEU 97 Cb -0.05 -2.50 0.48 0.00 0.66 0.00 0.00 46.19 44.78 2d1u s LEU 97 CO -0.08 -1.49 1.10 -0.62 -1.89 0.00 0.00 176.35 173.36 2d1u n GLU 98 N 8.30 2.16 -3.87 1.98 -0.58 -1.26 -4.99 120.64 122.38 2d1u n GLU 98 Ca 0.15 -3.68 -0.30 0.00 -0.42 0.00 0.00 57.16 52.91 2d1u n GLU 98 Cb 0.49 -1.74 -0.14 0.00 -0.57 0.00 0.00 31.44 29.49 2d1u n GLU 98 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 2d1u s HIS 99 N -3.61 2.79 -0.22 -0.32 3.76 -1.26 -5.07 115.29 111.35 2d1u s HIS 99 Ca 0.34 -2.91 0.01 0.00 -0.15 0.00 0.00 55.06 52.34 2d1u s HIS 99 Cb 0.37 -2.51 0.03 0.00 1.11 0.00 0.00 32.58 31.59 2d1u s HIS 99 CO -0.02 -0.76 -0.13 -1.58 -0.85 0.00 0.00 174.74 171.40 2d1u s HIS 100 N -0.03 2.99 0.09 1.40 5.04 -1.26 -5.10 115.29 118.41 2d1u s HIS 100 Ca 0.17 -1.76 -0.06 0.00 -1.54 0.00 0.00 55.06 51.86 2d1u s HIS 100 Cb -0.25 -1.97 -0.01 0.00 0.04 0.00 0.00 32.58 30.38 2d1u s HIS 100 CO -0.00 -0.79 0.13 -1.58 -2.34 0.00 0.00 174.74 170.15 2d1u s HIS 101 N 1.26 0.32 -0.21 3.88 2.46 -1.26 -5.15 115.29 116.59 2d1u s HIS 101 Ca 0.00 -0.77 -0.04 0.00 0.47 0.00 0.00 55.06 54.72 2d1u s HIS 101 Cb -0.16 -0.17 0.10 0.00 -0.13 0.00 0.00 32.58 32.22 2d1u s HIS 101 CO -0.08 -0.52 0.23 -1.01 -2.47 0.00 0.00 174.74 170.90 2d1u s HIS 102 N -3.90 -0.31 -0.02 3.88 3.76 -1.26 -5.14 115.29 112.29 2d1u s HIS 102 Ca 0.08 0.26 -0.02 0.00 -0.15 0.00 0.00 55.06 55.23 2d1u s HIS 102 Cb 0.06 -0.34 0.01 0.00 1.11 0.00 0.00 32.58 33.42 2d1u s HIS 102 CO -0.09 -0.61 0.06 -3.38 -0.85 0.00 0.00 174.74 169.86 2d1u s HIS 103 N 2.34 -0.06 -2.65 1.40 -3.43 -1.26 -5.39 115.29 106.25 2d1u s HIS 103 Ca 0.07 0.17 0.27 0.00 -0.80 0.00 0.00 55.06 54.77 2d1u s HIS 103 Cb -0.16 -0.02 0.79 0.00 -1.43 0.00 0.00 32.58 31.76 2d1u s HIS 103 CO -0.12 -0.05 1.60 1.58 -2.00 0.00 0.00 174.74 175.75