#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d1u n GLN 2 N 0.00 2.36 -3.79 0.00 -0.06 -1.26 -2.96 117.38 111.68 2d1u n GLN 2 Ca 0.00 0.87 -0.21 0.00 -2.00 0.00 0.00 57.00 55.65 2d1u n GLN 2 Cb 0.00 -2.73 -0.17 0.00 -4.06 0.00 0.00 30.24 23.27 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 3.88 0.23 -0.28 1.69 1.01 0.79 -4.92 120.40 122.79 2d1u s VAL 3 Ca 0.90 0.18 0.02 0.00 0.00 0.00 0.00 61.98 63.08 2d1u s VAL 3 Cb -0.62 -0.40 0.06 0.00 0.00 0.00 0.00 36.38 35.42 2d1u s VAL 3 CO 0.48 0.22 -0.06 0.54 0.00 0.00 0.00 175.10 176.28 2d1u s ASN 4 N 1.81 4.62 -0.05 3.32 4.22 -1.26 -2.79 114.94 124.82 2d1u s ASN 4 Ca 0.02 -1.46 0.06 0.00 -2.14 0.00 0.00 52.86 49.34 2d1u s ASN 4 Cb -0.12 -1.61 -0.01 0.00 1.28 0.00 0.00 41.25 40.78 2d1u s ASN 4 CO -0.04 -0.24 -0.23 -0.63 -2.04 0.00 0.00 177.10 173.92 2d1u s ILE 5 N 1.12 2.25 -0.02 0.54 1.01 -0.46 -4.93 121.20 120.71 2d1u s ILE 5 Ca -0.06 -1.01 -0.21 0.00 0.00 0.00 0.00 60.65 59.37 2d1u s ILE 5 Cb -0.20 -1.82 -0.05 0.00 0.01 0.00 0.00 42.46 40.40 2d1u s ILE 5 CO -0.04 0.57 0.63 0.00 0.00 0.00 0.00 174.94 176.10 2d1u s ALA 6 N -0.30 3.44 1.00 9.38 0.00 -1.26 -2.69 121.76 131.32 2d1u s ALA 6 Ca 0.01 0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.03 2d1u s ALA 6 Cb -0.13 -2.80 0.00 0.00 0.00 0.00 0.00 23.12 20.19 2d1u s ALA 6 CO 0.02 0.09 0.00 -0.35 0.00 0.00 0.00 175.76 175.53 2d1u n PRO 7 N 3.00 0.17 0.00 0.00 -0.04 -1.26 -4.76 135.00 132.11 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 2.45 1.08 3.15 0.55 0.00 -1.26 -4.97 105.19 106.19 2d1u n GLY 8 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 2d1u n GLY 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d1u s SER 9 N -2.00 -0.00 0.32 1.61 0.01 -1.26 -4.96 113.70 107.41 2d1u s SER 9 Ca 0.00 0.00 -0.00 0.00 1.31 0.00 0.00 55.95 57.26 2d1u s SER 9 Cb 0.00 1.00 0.51 0.00 0.21 0.00 0.00 66.02 67.74 2d1u s SER 9 CO 0.00 -0.00 1.98 0.25 0.41 0.00 0.00 173.24 175.88 2d1u h LEU 10 N 7.74 0.87 0.10 2.44 6.46 -1.59 0.27 115.31 131.59 2d1u h LEU 10 Ca -0.10 -0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.64 2d1u h LEU 10 Cb 1.18 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.89 2d1u h LEU 10 CO -0.25 0.63 -0.05 -0.78 -0.62 0.00 0.00 178.44 177.38 2d1u h ASP 11 N 1.03 -0.11 -0.08 1.25 1.82 -1.82 -2.49 116.42 116.02 2d1u h ASP 11 Ca 0.28 -0.33 -0.00 0.00 -0.39 0.00 0.00 57.03 56.59 2d1u h ASP 11 Cb -0.11 0.03 -0.00 0.00 0.68 0.00 0.00 39.33 39.92 2d1u h ASP 11 CO -0.06 0.29 0.03 0.11 -1.61 0.00 0.00 179.24 178.00 2d1u h LYS 12 N -0.53 0.11 -0.95 0.28 1.57 -1.91 -2.37 116.57 112.78 2d1u h LYS 12 Ca -0.01 -0.02 0.18 0.00 -1.87 0.00 0.00 60.65 58.92 2d1u h LYS 12 Cb 0.43 -0.02 -0.10 0.00 0.08 0.00 0.00 32.23 32.62 2d1u h LYS 12 CO 0.02 0.21 0.55 0.00 -0.57 0.00 0.00 179.45 179.65 2d1u h ALA 13 N 0.90 1.53 -0.27 3.86 0.00 -0.54 0.32 119.26 125.06 2d1u h ALA 13 Ca 0.03 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 2d1u h ALA 13 Cb 0.13 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2d1u h ALA 13 CO -0.00 -0.07 -0.23 1.37 0.00 0.00 0.00 179.25 180.32 2d1u h LEU 14 N 0.71 0.51 -0.28 0.00 8.10 -1.17 -2.85 115.31 120.33 2d1u h LEU 14 Ca 0.54 -0.17 -0.20 0.00 0.11 0.00 0.00 57.88 58.16 2d1u h LEU 14 Cb 0.82 -0.14 -0.01 0.00 -0.44 0.00 0.00 40.66 40.89 2d1u h LEU 14 CO -0.38 0.74 -0.87 0.78 -4.11 0.00 0.00 178.44 174.60 2d1u h ASN 15 N 0.45 0.34 0.57 0.17 2.35 -0.24 -1.81 115.58 117.41 2d1u h ASN 15 Ca 0.07 -0.27 -0.02 0.00 -0.55 0.00 0.00 56.30 55.53 2d1u h ASN 15 Cb 0.65 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.92 2d1u h ASN 15 CO 0.05 1.06 -0.32 1.56 -1.65 0.00 0.00 177.43 178.13 2d1u h GLN 16 N 0.15 -0.80 -0.24 0.81 1.08 -0.29 -0.78 115.11 115.04 2d1u h GLN 16 Ca -0.05 0.05 -0.14 0.00 -1.45 0.00 0.00 58.65 57.07 2d1u h GLN 16 Cb 1.50 0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 29.10 2d1u h GLN 16 CO 0.14 -0.53 -0.42 0.10 -0.95 0.00 0.00 178.83 177.17 2d1u h TYR 17 N -0.83 0.70 -0.71 2.96 -0.00 -1.61 -2.97 116.97 114.52 2d1u h TYR 17 Ca -0.07 -0.21 0.04 0.00 0.00 0.00 0.00 58.73 58.49 2d1u h TYR 17 Cb 0.66 -0.15 -0.04 0.00 0.00 0.00 0.00 36.73 37.20 2d1u h TYR 17 CO -0.07 0.91 0.47 0.00 -0.00 0.00 0.00 178.16 179.47 2d1u h ALA 18 N 1.06 1.60 -0.03 0.10 0.00 -1.18 0.07 119.26 120.88 2d1u h ALA 18 Ca 0.04 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 2d1u h ALA 18 Cb 0.93 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2d1u h ALA 18 CO 0.08 0.32 -0.65 0.00 0.00 0.00 0.00 179.25 179.00 2d1u h ALA 19 N 1.59 0.85 0.00 0.00 0.00 -0.99 -1.65 119.26 119.06 2d1u h ALA 19 Ca 0.28 -0.58 -0.12 0.00 0.00 0.00 0.00 54.91 54.49 2d1u h ALA 19 Cb 0.08 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2d1u h ALA 19 CO -0.08 0.78 -0.58 1.12 0.00 0.00 0.00 179.25 180.49 2d1u h HIS 20 N 0.10 0.00 0.00 0.00 2.07 -1.12 -3.34 115.15 112.85 2d1u h HIS 20 Ca -0.01 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.50 2d1u h HIS 20 Cb 1.16 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.14 2d1u h HIS 20 CO 0.01 0.58 -0.06 0.77 -3.07 0.00 0.00 177.93 176.16 2d1u h SER 21 N 0.00 0.00 0.00 3.10 0.02 -0.92 -3.50 113.55 112.26 2d1u h SER 21 Ca -0.01 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 2d1u h SER 21 Cb 1.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.85 2d1u h SER 21 CO 0.08 0.64 0.00 0.61 -1.14 0.00 0.00 176.83 177.01 2d1u n GLY 22 N 1.73 2.00 3.36 -3.77 0.00 -0.63 -5.00 105.19 102.87 2d1u n GLY 22 Ca -0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.81 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 1.65 0.08 1.61 -0.71 -1.24 -5.10 117.98 112.27 2d1u s PHE 23 Ca 0.00 -1.15 0.03 0.00 -1.04 0.00 0.00 56.93 54.76 2d1u s PHE 23 Cb 0.00 -0.99 -0.04 0.00 -1.21 0.00 0.00 43.02 40.78 2d1u s PHE 23 CO 0.00 -0.27 0.09 0.99 -1.34 0.00 0.00 175.22 174.68 2d1u s THR 24 N -3.61 4.58 -0.01 -4.49 2.01 -1.02 -4.83 115.64 108.26 2d1u s THR 24 Ca 0.37 -0.75 0.00 0.00 0.31 0.00 0.00 61.69 61.63 2d1u s THR 24 Cb 0.08 -3.21 0.01 0.00 0.01 0.00 0.00 72.50 69.39 2d1u s THR 24 CO 0.14 0.13 -0.01 -0.22 -0.69 0.00 0.00 174.62 173.97 2d1u s LEU 25 N -2.40 1.59 -0.32 4.42 2.96 -1.26 -1.62 118.68 122.06 2d1u s LEU 25 Ca 0.30 -0.02 0.02 0.00 -0.22 0.00 0.00 54.13 54.21 2d1u s LEU 25 Cb -0.12 -0.14 0.08 0.00 0.50 0.00 0.00 46.19 46.51 2d1u s LEU 25 CO 0.22 -0.04 0.01 -0.55 -1.32 0.00 0.00 176.35 174.68 2d1u s SER 26 N 0.47 4.74 -0.02 3.68 0.15 0.92 -4.93 113.70 118.71 2d1u s SER 26 Ca -0.04 -1.83 0.03 0.00 0.70 0.00 0.00 55.95 54.81 2d1u s SER 26 Cb -0.07 -1.64 -0.00 0.00 -1.71 0.00 0.00 66.02 62.60 2d1u s SER 26 CO -0.01 -0.33 -0.11 0.54 1.20 0.00 0.00 173.24 174.53 2d1u s VAL 27 N 1.02 0.90 -0.60 4.45 0.11 -1.26 -3.90 120.40 121.11 2d1u s VAL 27 Ca 0.03 -0.46 -0.29 0.00 -2.93 0.00 0.00 61.98 58.33 2d1u s VAL 27 Cb -0.20 -0.77 -0.12 0.00 -1.53 0.00 0.00 36.38 33.77 2d1u s VAL 27 CO -0.06 0.26 2.45 -0.67 -3.33 0.00 0.00 175.10 173.75 2d1u n ASP 28 N 2.99 1.74 0.00 3.54 2.03 -1.26 -4.75 116.55 120.83 2d1u n ASP 28 Ca -0.16 -0.11 0.10 0.00 0.52 0.00 0.00 54.79 55.14 2d1u n ASP 28 Cb 0.55 -1.33 0.50 0.00 -0.72 0.00 0.00 41.12 40.12 2d1u n ASP 28 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2d1u n ALA 29 N 13.09 2.05 -0.18 -1.67 0.00 -1.26 -3.60 120.51 128.93 2d1u n ALA 29 Ca 0.46 -0.09 -0.00 0.00 0.00 0.00 0.00 53.44 53.80 2d1u n ALA 29 Cb 0.34 -1.34 0.09 0.00 0.00 0.00 0.00 19.45 18.53 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 -0.18 0.84 0.00 0.87 -1.98 -1.36 113.55 111.73 2d1u h SER 30 Ca 0.00 0.13 -0.24 0.00 -1.23 0.00 0.00 61.79 60.45 2d1u h SER 30 Cb 0.24 0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.39 2d1u h SER 30 CO 0.00 -0.07 -1.18 -0.07 -0.53 0.00 0.00 176.83 174.98 2d1u h LEU 31 N 0.15 0.07 -1.93 2.23 4.07 -1.97 -3.28 115.31 114.65 2d1u h LEU 31 Ca 0.29 -0.08 0.12 0.00 0.08 0.00 0.00 57.88 58.29 2d1u h LEU 31 Cb 0.45 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 42.15 2d1u h LEU 31 CO -0.45 1.07 0.32 0.74 -1.08 0.00 0.00 178.44 179.03 2d1u h THR 32 N 0.01 0.81 -1.46 0.22 2.02 -1.42 -3.32 112.91 109.77 2d1u h THR 32 Ca -0.08 -0.03 -0.50 0.00 0.77 0.00 0.00 66.41 66.56 2d1u h THR 32 Cb 1.85 0.73 -0.00 0.00 -1.74 0.00 0.00 68.15 68.98 2d1u h THR 32 CO 0.13 0.01 1.61 0.54 0.37 0.00 0.00 175.52 178.18 2d1u n ARG 33 N -4.42 1.09 0.00 6.66 5.12 -0.66 -0.50 116.66 123.94 2d1u n ARG 33 Ca 0.08 0.11 0.00 0.00 -1.93 0.00 0.00 57.85 56.11 2d1u n ARG 33 Cb 0.48 -3.13 0.00 0.00 -1.16 0.00 0.00 32.46 28.65 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 6.07 3.31 3.81 -0.13 0.00 -1.26 -5.05 105.19 111.94 2d1u n GLY 34 Ca 0.39 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.65 3.82 0.52 1.61 1.02 0.34 -4.97 119.74 121.43 2d1u s LYS 35 Ca 0.00 1.23 0.01 0.00 0.02 0.00 0.00 55.97 57.23 2d1u s LYS 35 Cb 0.00 -2.11 -0.01 0.00 -0.52 0.00 0.00 37.83 35.20 2d1u s LYS 35 CO 0.00 -0.40 0.04 1.14 -0.92 0.00 0.00 175.35 175.22 2d1u s GLN 36 N -3.49 2.21 -0.13 1.68 -2.07 -1.26 -1.87 119.66 114.72 2d1u s GLN 36 Ca 0.64 -2.37 -0.29 0.00 -1.82 0.00 0.00 55.36 51.52 2d1u s GLN 36 Cb -0.14 -1.59 0.08 0.00 -1.09 0.00 0.00 33.01 30.27 2d1u s GLN 36 CO 0.23 -0.39 0.75 0.45 -1.32 0.00 0.00 175.29 175.01 2d1u s SER 37 N -3.92 -0.63 -0.07 12.60 0.15 -1.26 -4.45 113.70 116.11 2d1u s SER 37 Ca 0.08 0.87 -0.30 0.00 0.70 0.00 0.00 55.95 57.30 2d1u s SER 37 Cb 0.01 0.76 -0.04 0.00 -1.71 0.00 0.00 66.02 65.03 2d1u s SER 37 CO 0.05 -0.46 1.50 0.20 1.20 0.00 0.00 173.24 175.72 2d1u s ASN 38 N -0.71 6.78 0.97 5.45 0.01 -1.20 -4.10 114.94 122.14 2d1u s ASN 38 Ca -0.06 2.07 0.00 0.00 -0.71 0.00 0.00 52.86 54.16 2d1u s ASN 38 Cb -0.02 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 39.10 2d1u s ASN 38 CO 0.06 -0.84 0.00 0.61 -1.51 0.00 0.00 177.10 175.42 2d1u n GLY 39 N 3.89 -3.71 3.76 0.66 0.00 -1.26 -4.32 105.19 104.21 2d1u n GLY 39 Ca 0.15 -1.23 -0.24 0.00 0.00 0.00 0.00 46.02 44.71 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 3.62 -0.29 0.99 2.96 -1.10 -4.60 118.68 120.27 2d1u s LEU 40 Ca 0.00 -0.33 0.04 0.00 -0.22 0.00 0.00 54.13 53.63 2d1u s LEU 40 Cb 0.00 -2.18 0.20 0.00 0.50 0.00 0.00 46.19 44.71 2d1u s LEU 40 CO 0.00 0.01 0.61 -2.28 -1.32 0.00 0.00 176.35 173.37 2d1u s HIS 41 N -2.04 -1.77 -2.02 5.38 2.46 -1.12 -1.36 115.29 114.81 2d1u s HIS 41 Ca 0.31 1.12 0.00 0.00 0.47 0.00 0.00 55.06 56.97 2d1u s HIS 41 Cb -0.08 0.34 0.00 0.00 -0.13 0.00 0.00 32.58 32.71 2d1u s HIS 41 CO 0.23 -1.03 0.00 0.41 -2.47 0.00 0.00 174.74 171.88 2d1u n GLY 42 N 5.41 0.54 3.57 1.59 0.00 -1.12 -4.98 105.19 110.20 2d1u n GLY 42 Ca 0.04 -2.15 -0.41 0.00 0.00 0.00 0.00 46.02 43.50 2d1u n GLY 42 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2d1u s ASP 43 N -3.91 6.37 -0.18 1.61 1.11 -1.26 -0.15 116.67 120.26 2d1u s ASP 43 Ca 0.00 0.12 -0.09 0.00 0.18 0.00 0.00 52.55 52.76 2d1u s ASP 43 Cb 0.00 -2.29 0.06 0.00 1.07 0.00 0.00 42.92 41.76 2d1u s ASP 43 CO 0.00 -0.48 0.42 -0.31 1.18 0.00 0.00 175.17 175.98 2d1u s TYR 44 N 2.47 -0.64 0.71 4.23 2.02 -1.15 -4.70 117.35 120.29 2d1u s TYR 44 Ca 0.21 1.34 -0.12 0.00 -0.37 0.00 0.00 57.07 58.13 2d1u s TYR 44 Cb -0.15 0.28 0.18 0.00 -0.40 0.00 0.00 41.96 41.87 2d1u s TYR 44 CO 0.13 -0.36 0.41 -0.25 -1.57 0.00 0.00 175.55 173.91 2d1u n ASP 45 N 4.37 -3.02 -0.11 2.29 9.92 -1.26 -4.10 116.55 124.64 2d1u n ASP 45 Ca -0.22 -0.42 -0.09 0.00 -0.53 0.00 0.00 54.79 53.54 2d1u n ASP 45 Cb 0.55 -0.48 -0.01 0.00 -0.64 0.00 0.00 41.12 40.54 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 -2.77 1.13 0.11 2.53 3.04 -1.96 0.33 116.25 118.65 2d1u h VAL 46 Ca -0.19 -0.31 -0.01 0.00 -1.01 0.00 0.00 66.70 65.19 2d1u h VAL 46 Cb 0.63 0.68 0.00 0.00 -2.01 0.00 0.00 31.29 30.59 2d1u h VAL 46 CO 0.11 0.13 -0.05 -0.33 -1.01 0.00 0.00 177.57 176.42 2d1u h GLU 47 N 0.46 -0.14 -0.08 4.17 5.08 -1.99 -1.68 114.58 120.40 2d1u h GLU 47 Ca 0.13 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.53 2d1u h GLU 47 Cb 0.02 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 2d1u h GLU 47 CO -0.02 0.37 -0.12 0.77 -1.00 0.00 0.00 179.01 179.00 2d1u h SER 48 N -0.82 -0.38 -0.54 1.42 0.02 -1.88 -2.02 113.55 109.34 2d1u h SER 48 Ca -0.01 0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 2d1u h SER 48 Cb 0.57 0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.26 2d1u h SER 48 CO 0.02 -0.17 0.27 1.23 -1.14 0.00 0.00 176.83 177.04 2d1u h GLY 49 N -0.17 0.83 0.21 -3.77 0.00 -0.46 -2.24 103.07 97.47 2d1u h GLY 49 Ca 0.07 -0.40 0.05 0.00 0.00 0.00 0.00 47.33 47.05 2d1u h GLY 49 CO -0.18 0.38 -0.26 -2.00 0.00 0.00 0.00 176.54 174.48 2d1u h LEU 50 N 0.73 -0.81 -2.10 3.11 5.85 -0.94 0.11 115.31 121.26 2d1u h LEU 50 Ca 0.19 0.13 -0.02 0.00 0.84 0.00 0.00 57.88 59.02 2d1u h LEU 50 Cb 0.10 0.36 -0.00 0.00 0.37 0.00 0.00 40.66 41.49 2d1u h LEU 50 CO -0.03 -0.30 -0.08 1.56 -0.34 0.00 0.00 178.44 179.25 2d1u h GLN 51 N -0.30 0.00 0.00 1.25 1.08 -1.28 -1.39 115.11 114.47 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 -0.35 0.08 -0.52 1.96 -0.95 0.00 0.00 178.83 179.05 2d1u h GLN 52 N 0.00 0.00 0.21 1.46 1.08 -0.23 -0.01 115.11 117.62 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 0.22 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 2d1u h GLN 52 CO 0.01 0.52 -0.10 -0.07 -0.95 0.00 0.00 178.83 178.24 2d1u h LEU 53 N 0.00 -0.24 -0.08 1.46 -0.00 0.06 -3.24 115.31 113.27 2d1u h LEU 53 Ca -0.01 -0.26 0.00 0.00 -0.00 0.00 0.00 57.88 57.61 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 0.28 -0.04 0.00 -0.00 0.00 0.00 178.44 178.75 2d1u n LEU 54 N -4.97 0.16 -4.60 1.67 -0.00 -1.12 -3.25 117.00 104.88 2d1u n LEU 54 Ca -0.07 0.16 -0.56 0.00 -0.00 0.00 0.00 56.01 55.53 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 0.23 0.03 1.48 -0.67 -0.00 0.00 0.00 177.39 178.46 2d1u n ASP 55 N -1.14 2.14 0.00 1.45 2.03 -0.02 -3.65 116.55 117.36 2d1u n ASP 55 Ca 0.15 0.88 0.00 0.00 0.52 0.00 0.00 54.79 56.35 2d1u n ASP 55 Cb 0.24 -1.14 0.00 0.00 -0.72 0.00 0.00 41.12 39.50 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 5.09 0.24 0.09 0.27 0.00 -1.26 -4.75 105.19 104.87 2d1u n GLY 56 Ca 0.33 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.34 2d1u n GLY 56 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2d1u n SER 57 N 0.00 3.55 -0.76 1.61 3.41 -1.24 -5.12 113.62 115.06 2d1u n SER 57 Ca 0.00 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 2d1u n SER 57 Cb 0.00 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 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 3.39 -1.45 3.35 5.00 0.00 -1.26 -5.06 105.19 109.17 2d1u n GLY 58 Ca -0.02 -0.56 -0.19 0.00 0.00 0.00 0.00 46.02 45.24 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 1.72 0.01 0.99 1.02 -1.26 -4.26 118.68 116.90 2d1u s LEU 59 Ca 0.00 -1.55 0.02 0.00 0.02 0.00 0.00 54.13 52.63 2d1u s LEU 59 Cb 0.00 0.13 -0.04 0.00 0.02 0.00 0.00 46.19 46.31 2d1u s LEU 59 CO 0.00 -0.87 -0.02 0.00 0.02 0.00 0.00 176.35 175.49 2d1u s GLN 60 N -3.83 2.69 -0.08 1.70 -2.07 -0.98 -4.92 119.66 112.18 2d1u s GLN 60 Ca 0.35 -0.67 0.02 0.00 -1.82 0.00 0.00 55.36 53.23 2d1u s GLN 60 Cb 0.05 -2.61 0.02 0.00 -1.09 0.00 0.00 33.01 29.38 2d1u s GLN 60 CO 0.17 0.61 -0.12 0.08 -1.32 0.00 0.00 175.29 174.71 2d1u s VAL 61 N -1.10 1.16 0.00 3.63 1.01 -1.26 -1.78 120.40 122.06 2d1u s VAL 61 Ca 0.20 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.73 2d1u s VAL 61 Cb -0.11 -1.08 -0.00 0.00 0.00 0.00 0.00 36.38 35.18 2d1u s VAL 61 CO 0.11 0.37 -0.03 -1.59 0.00 0.00 0.00 175.10 173.95 2d1u s LYS 62 N 0.95 0.26 0.80 2.72 0.00 -1.06 -4.94 119.74 118.47 2d1u s LYS 62 Ca -0.09 -0.16 -0.11 0.00 0.00 0.00 0.00 55.97 55.61 2d1u s LYS 62 Cb -0.15 -0.23 0.07 0.00 0.00 0.00 0.00 37.83 37.52 2d1u s LYS 62 CO 0.00 0.06 1.09 -1.25 0.00 0.00 0.00 175.35 175.25 2d1u s PRO 63 N -0.20 2.05 0.14 1.78 0.04 -1.26 -1.92 135.00 135.63 2d1u s PRO 63 Ca -0.00 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.14 2d1u s PRO 63 Cb -0.02 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.64 2d1u s PRO 63 CO -0.00 -1.77 0.00 1.28 0.04 0.00 0.00 177.00 176.55 2d1u n LEU 64 N -3.60 0.73 0.00 -3.56 4.77 0.31 -4.89 117.00 110.76 2d1u n LEU 64 Ca 0.09 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 2d1u n LEU 64 Cb 0.53 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 2d1u n LEU 64 CO 0.54 -0.75 0.00 0.61 -1.33 0.00 0.00 177.39 176.46 2d1u n GLY 65 N 3.00 2.96 3.56 -0.72 0.00 -1.25 -4.97 105.19 107.77 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 5.52 -0.64 1.61 2.47 -1.26 -3.92 114.94 119.72 2d1u s ASN 66 Ca 0.00 -0.73 -0.04 0.00 0.42 0.00 0.00 52.86 52.52 2d1u s ASN 66 Cb 0.00 -2.56 0.03 0.00 -1.45 0.00 0.00 41.25 37.28 2d1u s ASN 66 CO 0.00 -2.37 0.13 -3.20 -3.72 0.00 0.00 177.10 167.94 2d1u n ASN 67 N 12.44 -2.21 -4.51 -4.21 5.15 -1.26 -4.59 115.26 116.07 2d1u n ASN 67 Ca 0.34 0.12 -0.42 0.00 -0.60 0.00 0.00 54.58 54.02 2d1u n ASN 67 Cb 0.49 -1.94 -0.09 0.00 -0.53 0.00 0.00 39.78 37.70 2d1u n ASN 67 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 2d1u s SER 68 N -2.24 6.17 0.11 1.20 1.04 -1.25 -2.44 113.70 116.29 2d1u s SER 68 Ca 0.14 -0.51 0.04 0.00 0.48 0.00 0.00 55.95 56.10 2d1u s SER 68 Cb -0.08 -2.20 -0.04 0.00 0.10 0.00 0.00 66.02 63.80 2d1u s SER 68 CO 0.18 -0.45 0.11 0.26 0.98 0.00 0.00 173.24 174.31 2d1u s TRP 69 N 2.01 3.19 0.05 5.02 0.52 -0.64 0.12 118.94 129.21 2d1u s TRP 69 Ca 0.11 0.05 0.03 0.00 0.02 0.00 0.00 56.10 56.31 2d1u s TRP 69 Cb -0.17 -1.59 -0.03 0.00 -1.15 0.00 0.00 33.47 30.54 2d1u s TRP 69 CO 0.12 0.52 -0.10 -0.08 0.02 0.00 0.00 176.95 177.44 2d1u s THR 70 N -1.53 0.70 -0.02 2.01 -1.32 -0.81 -0.05 115.64 114.62 2d1u s THR 70 Ca 0.30 -1.13 -0.02 0.00 -1.21 0.00 0.00 61.69 59.63 2d1u s THR 70 Cb -0.11 -0.74 -0.04 0.00 -1.51 0.00 0.00 72.50 70.10 2d1u s THR 70 CO 0.23 -0.33 0.13 -0.76 -2.21 0.00 0.00 174.62 171.68 2d1u s LEU 71 N -1.60 4.15 0.05 9.08 2.01 -1.25 -2.56 118.68 128.56 2d1u s LEU 71 Ca -0.08 0.27 -0.06 0.00 0.01 0.00 0.00 54.13 54.27 2d1u s LEU 71 Cb -0.10 -2.38 -0.01 0.00 0.01 0.00 0.00 46.19 43.71 2d1u s LEU 71 CO 0.01 0.29 0.12 -1.61 1.01 0.00 0.00 176.35 176.16 2d1u s GLU 72 N -1.71 0.68 -0.04 1.70 8.01 -0.73 -4.83 118.70 121.78 2d1u s GLU 72 Ca 0.23 -0.87 -0.30 0.00 0.01 0.00 0.00 54.97 54.05 2d1u s GLU 72 Cb -0.12 0.27 -0.05 0.00 -4.31 0.00 0.00 34.13 29.91 2d1u s GLU 72 CO 0.14 -0.18 1.48 -1.25 0.01 0.00 0.00 175.26 175.46 2d1u s PRO 73 N -3.16 4.23 0.25 0.39 0.04 -1.26 -2.32 135.00 133.18 2d1u s PRO 73 Ca -0.00 2.02 0.06 0.00 0.04 0.00 0.00 61.00 63.11 2d1u s PRO 73 Cb 0.02 -3.74 -0.03 0.00 0.04 0.00 0.00 34.50 30.79 2d1u s PRO 73 CO -0.07 -0.70 0.31 0.00 0.04 0.00 0.00 177.00 176.58 2d1u s ALA 74 N 3.14 3.82 0.41 8.56 0.00 -1.26 -4.86 121.76 131.56 2d1u s ALA 74 Ca 0.66 -1.31 -0.25 0.00 0.00 0.00 0.00 51.96 51.06 2d1u s ALA 74 Cb -0.31 -1.57 -0.08 0.00 0.00 0.00 0.00 23.12 21.16 2d1u s ALA 74 CO 0.26 0.23 1.19 -1.25 0.00 0.00 0.00 175.76 176.18 2d1u s PRO 75 N -3.94 4.01 -0.16 0.00 0.04 -1.26 -4.97 135.00 128.71 2d1u s PRO 75 Ca 0.34 1.87 -0.34 0.00 0.04 0.00 0.00 61.00 62.91 2d1u s PRO 75 Cb -0.09 -2.66 0.13 0.00 0.04 0.00 0.00 34.50 31.93 2d1u s PRO 75 CO 0.28 -0.37 1.16 0.00 0.04 0.00 0.00 177.00 178.12 2d1u s ALA 76 N -1.41 -2.04 0.95 8.56 0.00 -1.26 -5.08 121.76 121.49 2d1u s ALA 76 Ca 0.58 1.51 -0.12 0.00 0.00 0.00 0.00 51.96 53.93 2d1u s ALA 76 Cb -0.31 -0.04 0.16 0.00 0.00 0.00 0.00 23.12 22.93 2d1u s ALA 76 CO 0.39 -0.61 1.09 -1.25 0.00 0.00 0.00 175.76 175.39 2d1u s PRO 77 N -2.52 0.79 0.00 0.00 0.04 -1.26 -5.02 135.00 127.03 2d1u s PRO 77 Ca 0.09 0.66 0.00 0.00 0.04 0.00 0.00 61.00 61.78 2d1u s PRO 77 Cb -0.01 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.76 2d1u s PRO 77 CO -0.05 -2.52 0.65 1.63 0.04 0.00 0.00 177.00 176.75 2d1u n LYS 78 N -4.05 0.00 -3.64 4.56 4.76 -1.26 -4.95 118.16 113.58 2d1u n LYS 78 Ca 0.06 0.21 -0.08 0.00 -2.87 0.00 0.00 58.31 55.63 2d1u n LYS 78 Cb 0.56 -1.17 -0.07 0.00 -1.84 0.00 0.00 35.03 32.51 2d1u n LYS 78 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2d1u s GLU 79 N -1.73 0.64 0.13 1.97 2.56 -1.26 -5.00 118.70 116.00 2d1u s GLU 79 Ca 0.00 0.95 -0.27 0.00 0.00 0.00 0.00 54.97 55.65 2d1u s GLU 79 Cb 0.00 0.21 -0.05 0.00 2.00 0.00 0.00 34.13 36.29 2d1u s GLU 79 CO 0.00 -0.11 1.61 -0.44 -0.56 0.00 0.00 175.26 175.77 2d1u h ASP 80 N 5.85 -0.97 -2.58 -1.70 3.32 -1.98 -3.43 116.42 114.93 2d1u h ASP 80 Ca -0.29 0.13 -0.25 0.00 0.02 0.00 0.00 57.03 56.64 2d1u h ASP 80 Cb 1.20 0.39 0.13 0.00 0.22 0.00 0.00 39.33 41.26 2d1u h ASP 80 CO 0.13 -0.38 0.04 0.00 -1.72 0.00 0.00 179.24 177.30 2d1u n ALA 81 N -2.77 -2.41 -2.73 3.45 0.00 -1.26 -4.98 120.51 109.80 2d1u n ALA 81 Ca -0.05 -1.02 -0.30 0.00 0.00 0.00 0.00 53.44 52.08 2d1u n ALA 81 Cb 0.33 -0.07 -0.02 0.00 0.00 0.00 0.00 19.45 19.68 2d1u n ALA 81 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2d1u n LEU 82 N 0.00 5.10 -4.33 0.00 4.77 -1.26 -5.03 117.00 116.25 2d1u n LEU 82 Ca 0.09 -5.49 -0.17 0.00 -0.03 0.00 0.00 56.01 50.41 2d1u n LEU 82 Cb 0.37 -0.65 -0.10 0.00 -2.33 0.00 0.00 43.42 40.71 2d1u n LEU 82 CO 0.26 2.26 -0.33 0.28 -1.33 0.00 0.00 177.39 178.52 2d1u s THR 83 N -4.74 1.04 -0.86 -5.08 -1.32 -1.26 -5.10 115.64 98.31 2d1u s THR 83 Ca 0.48 -2.03 -0.05 0.00 -1.21 0.00 0.00 61.69 58.87 2d1u s THR 83 Cb 0.30 -2.34 0.22 0.00 -1.51 0.00 0.00 72.50 69.17 2d1u s THR 83 CO -0.17 -0.32 0.76 -0.69 -2.21 0.00 0.00 174.62 171.99 2d1u s VAL 84 N -3.42 4.67 -0.05 5.08 1.01 -1.26 -4.77 120.40 121.66 2d1u s VAL 84 Ca 0.28 -3.38 0.14 0.00 0.00 0.00 0.00 61.98 59.02 2d1u s VAL 84 Cb 0.06 -3.90 -0.21 0.00 0.00 0.00 0.00 36.38 32.33 2d1u s VAL 84 CO 0.09 -1.05 0.23 1.33 0.00 0.00 0.00 175.10 175.70 2d1u n VAL 85 N 2.90 0.29 -3.90 2.92 0.24 -1.26 -5.06 118.33 114.45 2d1u n VAL 85 Ca 0.18 -0.40 -0.08 0.00 -2.04 0.00 0.00 64.34 62.00 2d1u n VAL 85 Cb 0.39 -0.09 -0.02 0.00 -1.47 0.00 0.00 33.84 32.65 2d1u n VAL 85 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2d1u n GLY 86 N 1.84 2.92 3.56 7.63 0.00 -1.26 -5.18 105.19 114.70 2d1u n GLY 86 Ca -0.09 -1.58 -0.16 0.00 0.00 0.00 0.00 46.02 44.20 2d1u n GLY 86 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2d1u s ASP 87 N -2.04 -0.65 -0.07 1.61 -1.08 -1.26 -5.10 116.67 108.08 2d1u s ASP 87 Ca 0.15 0.89 0.00 0.00 -0.52 0.00 0.00 52.55 53.07 2d1u s ASP 87 Cb -0.00 0.77 0.02 0.00 -1.46 0.00 0.00 42.92 42.25 2d1u s ASP 87 CO 0.11 -0.48 -0.05 0.86 0.52 0.00 0.00 175.17 176.13 2d1u s TRP 88 N -0.73 1.01 -0.70 -5.34 -0.00 -1.26 -5.10 118.94 106.83 2d1u s TRP 88 Ca -0.07 -0.37 -0.12 0.00 -0.00 0.00 0.00 56.10 55.54 2d1u s TRP 88 Cb -0.02 -0.89 0.18 0.00 -0.00 0.00 0.00 33.47 32.75 2d1u s TRP 88 CO 0.06 -0.31 0.62 -1.17 -0.00 0.00 0.00 176.95 176.15 2d1u s LEU 89 N 1.29 6.31 0.00 5.86 1.98 -1.26 -4.98 118.68 127.89 2d1u s LEU 89 Ca -0.04 -2.44 0.00 0.00 -2.89 0.00 0.00 54.13 48.76 2d1u s LEU 89 Cb -0.14 -2.14 0.00 0.00 0.66 0.00 0.00 46.19 44.58 2d1u s LEU 89 CO -0.02 -0.62 0.00 0.61 -1.89 0.00 0.00 176.35 174.43 2d1u n GLY 90 N 4.27 1.64 2.83 7.98 0.00 -1.26 -4.91 105.19 115.75 2d1u n GLY 90 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 2d1u n GLY 90 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2d1u n ASP 91 N 0.00 -6.01 -3.15 1.61 2.03 -1.26 -4.90 116.55 104.86 2d1u n ASP 91 Ca 0.00 -0.21 -0.38 0.00 0.52 0.00 0.00 54.79 54.71 2d1u n ASP 91 Cb 0.00 -4.88 0.02 0.00 -0.72 0.00 0.00 41.12 35.54 2d1u n ASP 91 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2d1u n ALA 92 N -3.13 6.09 -2.37 -1.67 0.00 -1.26 -4.97 120.51 113.20 2d1u n ALA 92 Ca -0.15 -4.36 -0.16 0.00 0.00 0.00 0.00 53.44 48.77 2d1u n ALA 92 Cb 0.64 -1.84 -0.10 0.00 0.00 0.00 0.00 19.45 18.14 2d1u n ALA 92 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2d1u s ARG 93 N -4.08 1.07 -0.21 0.00 1.70 -1.26 -5.09 118.95 111.08 2d1u s ARG 93 Ca 0.47 -1.37 -0.29 0.00 -0.47 0.00 0.00 55.73 54.07 2d1u s ARG 93 Cb 0.33 -0.79 -0.04 0.00 -0.57 0.00 0.00 34.95 33.88 2d1u s ARG 93 CO -0.27 0.13 1.95 -1.21 -1.08 0.00 0.00 175.30 174.81 2d1u s GLU 94 N -3.28 3.48 -0.12 3.89 8.01 -1.26 -4.83 118.70 124.59 2d1u s GLU 94 Ca 0.14 1.89 0.19 0.00 0.01 0.00 0.00 54.97 57.20 2d1u s GLU 94 Cb -0.01 -4.22 -0.27 0.00 -4.31 0.00 0.00 34.13 25.32 2d1u s GLU 94 CO 0.02 -1.69 0.28 -1.71 0.01 0.00 0.00 175.26 172.17 2d1u n ASN 95 N 10.00 0.10 -4.73 -0.19 2.85 -1.26 -4.91 115.26 117.12 2d1u n ASN 95 Ca 0.24 0.04 -0.35 0.00 -0.11 0.00 0.00 54.58 54.40 2d1u n ASN 95 Cb 0.45 1.21 -0.08 0.00 1.24 0.00 0.00 39.78 42.59 2d1u n ASN 95 CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 2d1u s ASP 96 N -5.23 6.13 -0.17 1.20 1.01 -1.26 -5.08 116.67 113.26 2d1u s ASP 96 Ca -0.09 0.23 -0.17 0.00 0.71 0.00 0.00 52.55 53.23 2d1u s ASP 96 Cb 0.09 -2.06 0.05 0.00 1.01 0.00 0.00 42.92 42.00 2d1u s ASP 96 CO 0.85 0.20 0.48 -1.48 0.21 0.00 0.00 175.17 175.43 2d1u s LEU 97 N 0.21 0.17 -0.09 1.23 2.34 -1.26 -5.16 118.68 116.13 2d1u s LEU 97 Ca 0.08 0.91 -0.08 0.00 0.06 0.00 0.00 54.13 55.11 2d1u s LEU 97 Cb -0.11 1.66 -0.04 0.00 -0.56 0.00 0.00 46.19 47.13 2d1u s LEU 97 CO -0.01 -0.20 0.19 -1.61 -1.06 0.00 0.00 176.35 173.66 2d1u s GLU 98 N 0.12 3.51 -0.41 1.48 8.01 -1.26 -5.02 118.70 125.13 2d1u s GLU 98 Ca -0.01 -0.08 -0.27 0.00 0.01 0.00 0.00 54.97 54.62 2d1u s GLU 98 Cb -0.03 -3.18 -0.05 0.00 -4.31 0.00 0.00 34.13 26.56 2d1u s GLU 98 CO 0.01 0.75 2.21 -1.01 0.01 0.00 0.00 175.26 177.23 2d1u s HIS 99 N -1.08 1.27 0.25 1.61 3.76 -1.26 -4.88 115.29 114.96 2d1u s HIS 99 Ca 0.18 1.05 -0.22 0.00 -0.15 0.00 0.00 55.06 55.93 2d1u s HIS 99 Cb -0.13 -3.82 0.04 0.00 1.11 0.00 0.00 32.58 29.79 2d1u s HIS 99 CO 0.07 -3.00 0.81 -1.58 -0.85 0.00 0.00 174.74 170.20 2d1u s HIS 100 N 10.03 -0.13 -0.11 1.40 5.04 -1.26 -5.16 115.29 125.09 2d1u s HIS 100 Ca 0.92 -0.30 -0.03 0.00 -1.54 0.00 0.00 55.06 54.12 2d1u s HIS 100 Cb -0.22 0.70 -0.03 0.00 0.04 0.00 0.00 32.58 33.07 2d1u s HIS 100 CO 0.29 -1.13 -0.00 -1.01 -2.34 0.00 0.00 174.74 170.54 2d1u s HIS 101 N -3.51 3.13 -0.25 3.88 3.76 -1.26 -5.01 115.29 116.03 2d1u s HIS 101 Ca 0.12 0.06 -0.06 0.00 -0.15 0.00 0.00 55.06 55.03 2d1u s HIS 101 Cb -0.04 -1.86 -0.13 0.00 1.11 0.00 0.00 32.58 31.66 2d1u s HIS 101 CO 0.06 0.31 -0.28 1.58 -0.85 0.00 0.00 174.74 175.56 2d1u n HIS 102 N 2.62 0.00 -4.17 1.40 -0.00 -1.26 -5.02 115.22 108.79 2d1u n HIS 102 Ca -0.18 0.00 -0.23 0.00 0.46 0.00 0.00 57.72 57.77 2d1u n HIS 102 Cb 0.53 -0.93 -0.06 0.00 -0.12 0.00 0.00 29.99 29.40 2d1u n HIS 102 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2d1u s HIS 103 N -2.48 2.74 -1.77 1.57 -3.43 -1.26 -5.38 115.29 105.28 2d1u s HIS 103 Ca -0.35 -0.30 0.00 0.00 -0.80 0.00 0.00 55.06 53.61 2d1u s HIS 103 Cb 0.11 -1.46 0.00 0.00 -1.43 0.00 0.00 32.58 29.80 2d1u s HIS 103 CO 0.51 0.46 0.44 -2.39 -2.00 0.00 0.00 174.74 171.76