#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 2.00 -3.85 0.00 0.00 -1.26 -2.51 117.38 111.77 2d1u n GLN 2 Ca 0.00 0.73 -0.26 0.00 -0.00 0.00 0.00 57.00 57.48 2d1u n GLN 2 Cb 0.00 -2.55 -0.17 0.00 0.00 0.00 0.00 30.24 27.52 2d1u n GLN 2 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 2d1u s VAL 3 N 3.79 0.77 -0.25 1.69 1.01 0.73 -4.90 120.40 123.23 2d1u s VAL 3 Ca 0.93 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.73 2d1u s VAL 3 Cb -0.75 -0.88 0.04 0.00 0.00 0.00 0.00 36.38 34.79 2d1u s VAL 3 CO 0.53 0.28 -0.10 0.54 0.00 0.00 0.00 175.10 176.35 2d1u s ASN 4 N 1.81 4.26 -0.04 3.32 4.22 -1.26 -2.40 114.94 124.85 2d1u s ASN 4 Ca 0.04 -1.14 0.05 0.00 -2.14 0.00 0.00 52.86 49.67 2d1u s ASN 4 Cb -0.13 -1.59 -0.01 0.00 1.28 0.00 0.00 41.25 40.81 2d1u s ASN 4 CO -0.07 -0.16 -0.20 -0.63 -2.04 0.00 0.00 177.10 174.00 2d1u s ILE 5 N 1.20 1.66 -0.07 0.54 1.01 -0.21 -4.92 121.20 120.40 2d1u s ILE 5 Ca -0.04 -0.85 -0.22 0.00 0.00 0.00 0.00 60.65 59.54 2d1u s ILE 5 Cb -0.18 -1.41 -0.04 0.00 0.01 0.00 0.00 42.46 40.84 2d1u s ILE 5 CO -0.06 0.47 0.65 0.00 0.00 0.00 0.00 174.94 176.00 2d1u s ALA 6 N -0.09 3.37 1.00 9.38 0.00 -1.26 -2.75 121.76 131.41 2d1u s ALA 6 Ca -0.02 0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.00 2d1u s ALA 6 Cb -0.12 -2.88 0.00 0.00 0.00 0.00 0.00 23.12 20.12 2d1u s ALA 6 CO 0.02 -0.07 0.00 -0.35 0.00 0.00 0.00 175.76 175.36 2d1u n PRO 7 N 3.71 0.07 0.00 0.00 -0.04 -1.26 -4.68 135.00 132.79 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 0.75 0.00 0.55 0.00 -1.26 -4.99 105.19 102.68 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 -1.14 0.00 0.00 0.00 173.32 172.18 2d1u n SER 9 N 0.00 0.00 0.13 1.61 3.41 -1.26 -4.94 113.62 112.57 2d1u n SER 9 Ca 0.00 0.00 0.19 0.00 -0.26 0.00 0.00 58.87 58.80 2d1u n SER 9 Cb 0.00 0.00 0.74 0.00 -0.26 0.00 0.00 64.21 64.69 2d1u n SER 9 CO 0.00 0.00 0.00 0.17 -0.16 0.00 0.00 175.04 175.05 2d1u h LEU 10 N 0.00 0.00 -0.02 1.04 -0.00 -1.83 -0.37 115.31 114.14 2d1u h LEU 10 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 2d1u h LEU 10 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.66 2d1u h LEU 10 CO 0.00 0.00 -0.02 -2.24 -0.00 0.00 0.00 178.44 176.18 2d1u h ASP 11 N 0.00 0.05 0.36 0.17 2.03 -1.95 -2.37 116.42 114.71 2d1u h ASP 11 Ca 0.16 -0.52 -0.02 0.00 -0.73 0.00 0.00 57.03 55.92 2d1u h ASP 11 Cb 1.06 -0.01 0.00 0.00 -0.83 0.00 0.00 39.33 39.54 2d1u h ASP 11 CO -0.00 0.56 -0.18 0.11 -1.03 0.00 0.00 179.24 178.69 2d1u h LYS 12 N -0.46 -0.48 -0.68 4.15 1.57 -1.48 -2.66 116.57 116.52 2d1u h LYS 12 Ca 0.00 0.03 0.12 0.00 -1.87 0.00 0.00 60.65 58.93 2d1u h LYS 12 Cb 0.55 0.11 -0.08 0.00 0.08 0.00 0.00 32.23 32.88 2d1u h LYS 12 CO 0.01 -0.32 0.26 0.00 -0.57 0.00 0.00 179.45 178.82 2d1u h ALA 13 N 0.13 0.92 -0.37 3.86 0.00 -1.53 0.29 119.26 122.57 2d1u h ALA 13 Ca -0.05 0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.04 2d1u h ALA 13 Cb 0.39 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 2d1u h ALA 13 CO 0.07 -0.20 -0.11 1.25 0.00 0.00 0.00 179.25 180.27 2d1u h LEU 14 N 0.42 -0.38 -0.68 0.00 5.85 -1.18 0.61 115.31 119.95 2d1u h LEU 14 Ca 0.36 0.11 -0.14 0.00 0.84 0.00 0.00 57.88 59.05 2d1u h LEU 14 Cb 0.50 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 2d1u h LEU 14 CO -0.36 -0.14 -0.57 0.78 -0.34 0.00 0.00 178.44 177.81 2d1u h ASN 15 N -0.02 0.30 0.63 1.25 2.35 -0.98 -0.77 115.58 118.34 2d1u h ASN 15 Ca 0.18 -0.16 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 2d1u h ASN 15 Cb 0.29 -0.09 0.01 0.00 0.05 0.00 0.00 38.32 38.58 2d1u h ASN 15 CO -0.39 0.81 -0.30 1.56 -1.65 0.00 0.00 177.43 177.45 2d1u h GLN 16 N 0.20 -0.82 -0.28 0.81 1.08 0.72 0.68 115.11 117.51 2d1u h GLN 16 Ca -0.00 0.06 -0.14 0.00 -1.45 0.00 0.00 58.65 57.11 2d1u h GLN 16 Cb 1.07 0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 28.67 2d1u h GLN 16 CO 0.09 -0.53 -0.41 0.10 -0.95 0.00 0.00 178.83 177.12 2d1u h TYR 17 N -0.88 0.80 -0.89 2.96 -0.00 -0.98 -2.27 116.97 115.71 2d1u h TYR 17 Ca -0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 58.73 58.39 2d1u h TYR 17 Cb 0.66 -0.17 -0.04 0.00 0.00 0.00 0.00 36.73 37.18 2d1u h TYR 17 CO -0.02 0.97 0.51 0.00 -0.00 0.00 0.00 178.16 179.62 2d1u h ALA 18 N 0.99 1.22 0.00 0.10 0.00 -1.06 -1.51 119.26 119.01 2d1u h ALA 18 Ca 0.04 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 2d1u h ALA 18 Cb 0.95 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2d1u h ALA 18 CO 0.09 0.64 -0.36 0.00 0.00 0.00 0.00 179.25 179.62 2d1u h ALA 19 N 1.32 0.85 0.00 0.00 0.00 -0.76 -1.81 119.26 118.86 2d1u h ALA 19 Ca 0.32 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 2d1u h ALA 19 Cb -0.01 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2d1u h ALA 19 CO -0.05 0.45 -0.53 0.45 0.00 0.00 0.00 179.25 179.56 2d1u h HIS 20 N 0.00 0.00 0.00 0.00 -0.00 -0.76 -3.37 115.15 111.02 2d1u h HIS 20 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2d1u h HIS 20 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.51 2d1u h HIS 20 CO 0.00 0.53 -0.33 0.45 -0.00 0.00 0.00 177.93 178.58 2d1u n SER 21 N -3.39 1.12 0.00 2.45 2.88 -0.64 -5.04 113.62 111.00 2d1u n SER 21 Ca 0.01 0.47 0.00 0.00 -1.33 0.00 0.00 58.87 58.02 2d1u n SER 21 Cb 0.67 -0.72 0.00 0.00 -0.75 0.00 0.00 64.21 63.41 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 1.65 1.85 3.61 0.46 0.00 -0.69 -5.09 105.19 106.99 2d1u n GLY 22 Ca -0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 2d1u n GLY 22 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2d1u s PHE 23 N -2.00 2.48 0.08 1.61 -0.71 -1.25 -5.10 117.98 113.09 2d1u s PHE 23 Ca 0.00 -0.69 0.02 0.00 -1.04 0.00 0.00 56.93 55.22 2d1u s PHE 23 Cb 0.00 -1.75 -0.04 0.00 -1.21 0.00 0.00 43.02 40.02 2d1u s PHE 23 CO 0.00 0.42 0.13 0.99 -1.34 0.00 0.00 175.22 175.42 2d1u s THR 24 N -2.75 4.83 -0.02 -4.49 2.01 -0.78 -4.86 115.64 109.59 2d1u s THR 24 Ca 0.35 -0.65 0.00 0.00 0.31 0.00 0.00 61.69 61.71 2d1u s THR 24 Cb 0.10 -3.34 0.02 0.00 0.01 0.00 0.00 72.50 69.28 2d1u s THR 24 CO 0.18 0.12 -0.00 -0.22 -0.69 0.00 0.00 174.62 174.00 2d1u s LEU 25 N -2.46 1.51 -0.30 4.42 2.96 -1.26 -1.70 118.68 121.85 2d1u s LEU 25 Ca 0.31 -0.02 0.02 0.00 -0.22 0.00 0.00 54.13 54.22 2d1u s LEU 25 Cb -0.12 -0.15 0.09 0.00 0.50 0.00 0.00 46.19 46.50 2d1u s LEU 25 CO 0.24 -0.05 0.04 -0.44 -1.32 0.00 0.00 176.35 174.82 2d1u s SER 26 N 0.58 4.30 -0.02 3.68 0.01 0.89 -4.91 113.70 118.23 2d1u s SER 26 Ca -0.05 -1.73 0.03 0.00 1.31 0.00 0.00 55.95 55.51 2d1u s SER 26 Cb -0.08 -1.27 -0.00 0.00 0.21 0.00 0.00 66.02 64.87 2d1u s SER 26 CO -0.01 -0.35 -0.10 0.54 0.41 0.00 0.00 173.24 173.73 2d1u s VAL 27 N 1.26 0.82 -0.58 3.43 0.11 -1.26 -4.10 120.40 120.07 2d1u s VAL 27 Ca 0.06 -0.41 -0.26 0.00 -2.93 0.00 0.00 61.98 58.43 2d1u s VAL 27 Cb -0.18 -0.70 -0.10 0.00 -1.53 0.00 0.00 36.38 33.87 2d1u s VAL 27 CO -0.13 0.24 2.44 0.47 -3.33 0.00 0.00 175.10 174.79 2d1u n ASP 28 N 3.03 2.01 0.00 3.54 8.00 -1.26 -4.75 116.55 127.11 2d1u n ASP 28 Ca -0.16 -0.59 0.09 0.00 0.71 0.00 0.00 54.79 54.85 2d1u n ASP 28 Cb 0.55 -1.52 0.40 0.00 -0.02 0.00 0.00 41.12 40.53 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 15.71 1.85 -0.10 2.24 0.00 -1.26 -3.40 120.51 135.56 2d1u n ALA 29 Ca 0.41 -0.06 -0.06 0.00 0.00 0.00 0.00 53.44 53.73 2d1u n ALA 29 Cb 0.48 -1.30 0.01 0.00 0.00 0.00 0.00 19.45 18.64 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 0.02 0.17 0.00 0.87 -1.93 0.27 113.55 112.94 2d1u h SER 30 Ca 0.00 0.05 -0.30 0.00 -1.23 0.00 0.00 61.79 60.31 2d1u h SER 30 Cb 0.32 0.07 0.01 0.00 -0.44 0.00 0.00 62.40 62.36 2d1u h SER 30 CO 0.00 0.05 -1.47 -0.07 -0.53 0.00 0.00 176.83 174.81 2d1u h LEU 31 N 0.19 0.57 -0.43 2.23 4.07 -1.97 -3.35 115.31 116.61 2d1u h LEU 31 Ca 0.16 -0.91 0.06 0.00 0.08 0.00 0.00 57.88 57.26 2d1u h LEU 31 Cb 0.18 -0.18 -0.05 0.00 1.08 0.00 0.00 40.66 41.68 2d1u h LEU 31 CO -0.21 1.67 0.15 0.74 -1.08 0.00 0.00 178.44 179.71 2d1u h THR 32 N -0.08 0.86 -2.32 0.22 2.02 -1.55 -3.43 112.91 108.63 2d1u h THR 32 Ca -0.29 -0.11 -0.61 0.00 0.77 0.00 0.00 66.41 66.17 2d1u h THR 32 Cb 1.94 0.52 0.08 0.00 -1.74 0.00 0.00 68.15 68.95 2d1u h THR 32 CO 0.15 0.06 0.44 -2.11 0.37 0.00 0.00 175.52 174.43 2d1u n ARG 33 N -5.02 1.60 0.00 6.66 -4.01 0.92 -3.72 116.66 113.10 2d1u n ARG 33 Ca 0.03 0.57 0.00 0.00 -1.04 0.00 0.00 57.85 57.41 2d1u n ARG 33 Cb 0.17 -2.15 0.00 0.00 -3.04 0.00 0.00 32.46 27.44 2d1u n ARG 33 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2d1u n GLY 34 N 2.07 4.37 3.64 2.89 0.00 -1.26 -4.97 105.19 111.93 2d1u n GLY 34 Ca 0.13 -0.77 -0.29 0.00 0.00 0.00 0.00 46.02 45.09 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 2.01 0.66 1.61 -2.85 -1.24 -5.14 119.74 114.79 2d1u s LYS 35 Ca 0.00 -2.22 0.03 0.00 -1.00 0.00 0.00 55.97 52.78 2d1u s LYS 35 Cb 0.00 -1.31 0.11 0.00 -2.06 0.00 0.00 37.83 34.57 2d1u s LYS 35 CO 0.00 -0.27 0.91 -0.65 0.10 0.00 0.00 175.35 175.44 2d1u s GLN 36 N -3.80 1.92 0.15 1.78 1.11 -1.26 -4.13 119.66 115.43 2d1u s GLN 36 Ca 0.21 -1.26 0.10 0.00 0.01 0.00 0.00 55.36 54.42 2d1u s GLN 36 Cb 0.05 -2.44 -0.04 0.00 -1.01 0.00 0.00 33.01 29.57 2d1u s GLN 36 CO 0.11 -1.22 -0.24 0.45 0.01 0.00 0.00 175.29 174.40 2d1u s SER 37 N -4.69 3.16 -0.36 5.90 0.15 -1.26 -4.64 113.70 111.96 2d1u s SER 37 Ca 0.64 -0.78 -0.29 0.00 0.70 0.00 0.00 55.95 56.22 2d1u s SER 37 Cb -0.06 -0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.05 2d1u s SER 37 CO 0.42 0.12 1.38 0.21 1.20 0.00 0.00 173.24 176.57 2d1u s ASN 38 N -2.27 6.47 0.95 5.45 3.84 -1.05 -4.23 114.94 124.11 2d1u s ASN 38 Ca 0.15 1.03 -0.12 0.00 0.21 0.00 0.00 52.86 54.12 2d1u s ASN 38 Cb -0.09 -2.54 0.07 0.00 -0.55 0.00 0.00 41.25 38.14 2d1u s ASN 38 CO 0.07 -1.28 0.58 0.61 -2.79 0.00 0.00 177.10 174.29 2d1u n GLY 39 N 4.74 -1.64 3.92 1.21 0.00 -1.26 -4.15 105.19 108.02 2d1u n GLY 39 Ca 0.16 -0.75 -0.27 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.50 4.14 -0.29 0.99 2.96 -1.11 -4.85 118.68 118.02 2d1u s LEU 40 Ca 0.59 0.49 0.03 0.00 -0.22 0.00 0.00 54.13 55.02 2d1u s LEU 40 Cb -0.21 -3.29 0.20 0.00 0.50 0.00 0.00 46.19 43.39 2d1u s LEU 40 CO 0.65 -0.13 0.64 -2.28 -1.32 0.00 0.00 176.35 173.90 2d1u s HIS 41 N -2.02 -1.70 -2.84 5.38 2.46 -1.01 -1.05 115.29 114.51 2d1u s HIS 41 Ca 0.40 1.09 0.00 0.00 0.47 0.00 0.00 55.06 57.02 2d1u s HIS 41 Cb -0.11 0.33 0.00 0.00 -0.13 0.00 0.00 32.58 32.67 2d1u s HIS 41 CO 0.31 -0.99 0.00 0.41 -2.47 0.00 0.00 174.74 172.00 2d1u n GLY 42 N 5.40 0.94 3.54 1.59 0.00 -1.12 -4.96 105.19 110.57 2d1u n GLY 42 Ca 0.05 -2.11 -0.42 0.00 0.00 0.00 0.00 46.02 43.53 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 -0.31 6.28 -0.04 1.61 1.01 -1.26 -0.20 116.67 123.76 2d1u s ASP 43 Ca 0.00 -0.33 0.00 0.00 0.71 0.00 0.00 52.55 52.93 2d1u s ASP 43 Cb 0.00 -2.52 0.03 0.00 1.01 0.00 0.00 42.92 41.43 2d1u s ASP 43 CO 0.00 -1.59 -0.01 -0.31 0.21 0.00 0.00 175.17 173.48 2d1u s TYR 44 N 5.01 0.43 0.82 4.23 2.02 -1.04 -4.86 117.35 123.96 2d1u s TYR 44 Ca 0.35 -0.05 -0.14 0.00 -0.37 0.00 0.00 57.07 56.86 2d1u s TYR 44 Cb -0.10 -0.50 0.21 0.00 -0.40 0.00 0.00 41.96 41.17 2d1u s TYR 44 CO 0.18 -0.16 0.52 -0.25 -1.57 0.00 0.00 175.55 174.27 2d1u n ASP 45 N 4.26 -2.95 -0.12 2.29 8.00 -1.26 -4.17 116.55 122.61 2d1u n ASP 45 Ca -0.23 -0.58 -0.07 0.00 0.71 0.00 0.00 54.79 54.62 2d1u n ASP 45 Cb 0.50 -0.57 0.01 0.00 -0.02 0.00 0.00 41.12 41.04 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 -2.81 1.03 0.06 2.53 3.04 -1.97 0.30 116.25 118.43 2d1u h VAL 46 Ca -0.23 -0.15 -0.00 0.00 -1.01 0.00 0.00 66.70 65.31 2d1u h VAL 46 Cb 0.75 0.55 0.00 0.00 -2.01 0.00 0.00 31.29 30.58 2d1u h VAL 46 CO 0.14 0.08 -0.03 -0.33 -1.01 0.00 0.00 177.57 176.42 2d1u h GLU 47 N 0.44 -0.08 -0.17 4.17 5.08 -1.98 -1.95 114.58 120.09 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 29.23 2d1u h GLU 47 CO -0.08 0.52 -0.15 1.03 -1.00 0.00 0.00 179.01 179.33 2d1u h SER 48 N -0.80 -0.49 -0.60 1.42 0.87 -1.88 0.33 113.55 112.40 2d1u h SER 48 Ca -0.01 0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.61 2d1u h SER 48 Cb 0.63 0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.81 2d1u h SER 48 CO 0.01 -0.20 0.24 1.23 -0.53 0.00 0.00 176.83 177.58 2d1u h GLY 49 N -0.17 0.96 0.93 5.77 0.00 -0.52 -2.02 103.07 108.01 2d1u h GLY 49 Ca 0.11 -0.53 0.01 0.00 0.00 0.00 0.00 47.33 46.93 2d1u h GLY 49 CO -0.28 0.50 0.21 -2.00 0.00 0.00 0.00 176.54 174.97 2d1u h LEU 50 N 0.83 0.34 -1.83 3.11 5.85 -0.84 -1.38 115.31 121.40 2d1u h LEU 50 Ca 0.20 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 2d1u h LEU 50 Cb 0.21 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 2d1u h LEU 50 CO -0.02 0.25 -0.13 1.56 -0.34 0.00 0.00 178.44 179.76 2d1u h GLN 51 N 0.43 0.00 0.00 1.25 1.08 -0.80 -1.97 115.11 115.10 2d1u h GLN 51 Ca 0.14 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.23 2d1u h GLN 51 Cb -0.00 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.41 2d1u h GLN 51 CO -0.06 0.13 -0.53 1.96 -0.95 0.00 0.00 178.83 179.38 2d1u h GLN 52 N 0.00 0.00 0.19 1.46 1.08 -0.52 -0.96 115.11 116.37 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 0.38 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.81 2d1u h GLN 52 CO 0.02 0.53 -0.09 -0.07 -0.95 0.00 0.00 178.83 178.26 2d1u h LEU 53 N 0.00 -0.22 0.00 1.46 4.07 -0.63 -3.24 115.31 116.76 2d1u h LEU 53 Ca -0.01 -0.29 0.00 0.00 0.08 0.00 0.00 57.88 57.67 2d1u h LEU 53 Cb 1.23 0.06 0.00 0.00 1.08 0.00 0.00 40.66 43.02 2d1u h LEU 53 CO 0.07 0.32 0.00 0.00 -1.08 0.00 0.00 178.44 177.75 2d1u n LEU 54 N -4.95 0.00 -4.59 1.67 -0.00 -1.13 -2.54 117.00 105.46 2d1u n LEU 54 Ca -0.07 0.22 -0.56 0.00 -0.00 0.00 0.00 56.01 55.60 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 -0.00 1.50 -0.67 -0.00 0.00 0.00 177.39 178.44 2d1u n ASP 55 N -1.22 2.14 0.00 1.45 2.03 -0.36 -3.65 116.55 116.92 2d1u n ASP 55 Ca 0.16 0.86 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 5.18 0.50 0.08 0.27 0.00 -1.26 -4.81 105.19 105.15 2d1u n GLY 56 Ca 0.34 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.27 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 2.96 -0.81 1.61 3.41 -1.24 -5.11 113.62 114.43 2d1u n SER 57 Ca 0.00 -0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 2d1u n SER 57 Cb 0.00 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 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 2.88 -1.58 3.30 5.00 0.00 -1.26 -5.08 105.19 108.45 2d1u n GLY 58 Ca -0.22 -0.52 -0.17 0.00 0.00 0.00 0.00 46.02 45.10 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 1.58 0.02 0.99 1.02 -1.26 -4.38 118.68 116.64 2d1u s LEU 59 Ca 0.00 -1.54 0.02 0.00 0.02 0.00 0.00 54.13 52.63 2d1u s LEU 59 Cb 0.00 0.27 -0.04 0.00 0.02 0.00 0.00 46.19 46.45 2d1u s LEU 59 CO 0.00 -0.89 -0.01 0.00 0.02 0.00 0.00 176.35 175.46 2d1u s GLN 60 N -3.85 2.69 -0.11 1.70 -2.07 -0.96 -4.93 119.66 112.13 2d1u s GLN 60 Ca 0.37 -0.68 0.01 0.00 -1.82 0.00 0.00 55.36 53.24 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 0.18 0.60 -0.12 0.08 -1.32 0.00 0.00 175.29 174.71 2d1u s VAL 61 N -1.11 1.32 0.01 3.63 1.01 -1.26 -1.66 120.40 122.35 2d1u s VAL 61 Ca 0.20 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 61.70 2d1u s VAL 61 Cb -0.11 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 35.01 2d1u s VAL 61 CO 0.11 0.41 -0.08 -1.59 0.00 0.00 0.00 175.10 173.95 2d1u s LYS 62 N 1.25 0.61 0.80 2.72 0.00 -1.05 -4.93 119.74 119.14 2d1u s LYS 62 Ca -0.02 -0.45 -0.11 0.00 0.00 0.00 0.00 55.97 55.39 2d1u s LYS 62 Cb -0.14 -0.54 0.08 0.00 0.00 0.00 0.00 37.83 37.23 2d1u s LYS 62 CO -0.05 0.14 1.09 -1.25 0.00 0.00 0.00 175.35 175.28 2d1u s PRO 63 N -0.67 2.00 0.10 1.78 0.04 -1.26 -2.02 135.00 134.97 2d1u s PRO 63 Ca -0.01 1.08 0.00 0.00 0.04 0.00 0.00 61.00 62.11 2d1u s PRO 63 Cb -0.05 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.61 2d1u s PRO 63 CO 0.00 -1.80 0.00 1.28 0.04 0.00 0.00 177.00 176.52 2d1u n LEU 64 N -3.62 0.39 0.00 -3.56 4.77 0.30 -4.90 117.00 110.38 2d1u n LEU 64 Ca 0.09 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 2d1u n LEU 64 Cb 0.54 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 2d1u n LEU 64 CO 0.54 -0.66 0.00 0.61 -1.33 0.00 0.00 177.39 176.55 2d1u n GLY 65 N 2.80 2.27 3.56 -0.72 0.00 -1.25 -4.96 105.19 106.89 2d1u n GLY 65 Ca 0.00 -0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 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 5.71 -0.56 1.61 2.47 -1.26 -3.98 114.94 119.94 2d1u s ASN 66 Ca 0.00 -0.93 -0.01 0.00 0.42 0.00 0.00 52.86 52.34 2d1u s ASN 66 Cb 0.00 -2.56 0.01 0.00 -1.45 0.00 0.00 41.25 37.24 2d1u s ASN 66 CO 0.00 -2.22 0.03 -3.20 -3.72 0.00 0.00 177.10 167.99 2d1u n ASN 67 N 11.81 -2.42 -4.52 -4.21 4.05 -1.26 -4.51 115.26 114.19 2d1u n ASN 67 Ca 0.35 0.30 -0.42 0.00 0.45 0.00 0.00 54.58 55.26 2d1u n ASN 67 Cb 0.49 -2.13 -0.09 0.00 1.23 0.00 0.00 39.78 39.28 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 -2.07 6.23 0.07 1.20 1.04 -1.25 -1.86 113.70 117.05 2d1u s SER 68 Ca 0.03 -0.35 0.03 0.00 0.48 0.00 0.00 55.95 56.14 2d1u s SER 68 Cb -0.02 -2.23 -0.04 0.00 0.10 0.00 0.00 66.02 63.83 2d1u s SER 68 CO 0.04 -0.49 0.04 0.26 0.98 0.00 0.00 173.24 174.07 2d1u s TRP 69 N 2.20 3.11 0.08 5.02 0.52 -0.69 0.11 118.94 129.30 2d1u s TRP 69 Ca 0.14 0.05 0.03 0.00 0.02 0.00 0.00 56.10 56.34 2d1u s TRP 69 Cb -0.16 -1.60 -0.03 0.00 -1.15 0.00 0.00 33.47 30.52 2d1u s TRP 69 CO 0.13 0.50 -0.09 -0.08 0.02 0.00 0.00 176.95 177.44 2d1u s THR 70 N -1.32 0.77 0.01 2.01 -1.32 -0.86 -0.07 115.64 114.85 2d1u s THR 70 Ca 0.27 -1.56 -0.01 0.00 -1.21 0.00 0.00 61.69 59.17 2d1u s THR 70 Cb -0.12 -1.24 -0.04 0.00 -1.51 0.00 0.00 72.50 69.59 2d1u s THR 70 CO 0.19 -0.59 0.15 -0.76 -2.21 0.00 0.00 174.62 171.40 2d1u s LEU 71 N -2.36 4.20 0.06 9.08 2.01 -1.26 -2.54 118.68 127.87 2d1u s LEU 71 Ca 0.03 0.26 -0.08 0.00 0.01 0.00 0.00 54.13 54.35 2d1u s LEU 71 Cb -0.03 -2.55 -0.01 0.00 0.01 0.00 0.00 46.19 43.62 2d1u s LEU 71 CO -0.01 0.25 0.16 -1.61 1.01 0.00 0.00 176.35 176.14 2d1u s GLU 72 N -1.98 0.75 -0.04 1.70 0.41 -0.66 -4.86 118.70 114.02 2d1u s GLU 72 Ca 0.27 -0.87 -0.30 0.00 -0.41 0.00 0.00 54.97 53.66 2d1u s GLU 72 Cb -0.12 0.30 -0.05 0.00 -1.78 0.00 0.00 34.13 32.47 2d1u s GLU 72 CO 0.19 -0.22 1.48 -1.25 -0.49 0.00 0.00 175.26 174.97 2d1u s PRO 73 N -3.37 4.23 0.25 0.39 0.04 -1.26 -2.26 135.00 133.03 2d1u s PRO 73 Ca 0.01 2.02 0.06 0.00 0.04 0.00 0.00 61.00 63.13 2d1u s PRO 73 Cb 0.03 -3.74 -0.03 0.00 0.04 0.00 0.00 34.50 30.80 2d1u s PRO 73 CO -0.08 -0.70 0.28 0.00 0.04 0.00 0.00 177.00 176.54 2d1u s ALA 74 N 3.12 3.76 0.91 8.56 0.00 -1.26 -4.88 121.76 131.97 2d1u s ALA 74 Ca 0.66 -1.35 -0.12 0.00 0.00 0.00 0.00 51.96 51.15 2d1u s ALA 74 Cb -0.31 -1.48 0.14 0.00 0.00 0.00 0.00 23.12 21.47 2d1u s ALA 74 CO 0.26 0.23 1.09 -1.25 0.00 0.00 0.00 175.76 176.09 2d1u s PRO 75 N -3.91 1.11 0.39 0.00 0.04 -1.26 -5.00 135.00 126.36 2d1u s PRO 75 Ca 0.34 0.77 -0.01 0.00 0.04 0.00 0.00 61.00 62.14 2d1u s PRO 75 Cb -0.08 -1.80 -0.03 0.00 0.04 0.00 0.00 34.50 32.63 2d1u s PRO 75 CO 0.27 -2.33 0.61 0.00 0.04 0.00 0.00 177.00 175.59 2d1u s ALA 76 N -2.94 3.64 0.96 8.56 0.00 -1.26 -5.08 121.76 125.64 2d1u s ALA 76 Ca 0.64 -0.84 -0.12 0.00 0.00 0.00 0.00 51.96 51.64 2d1u s ALA 76 Cb -0.18 -2.22 0.16 0.00 0.00 0.00 0.00 23.12 20.89 2d1u s ALA 76 CO 0.57 -0.13 1.09 -1.25 0.00 0.00 0.00 175.76 176.05 2d1u s PRO 77 N -4.43 0.78 0.00 0.00 0.04 -1.26 -4.94 135.00 125.19 2d1u s PRO 77 Ca 0.42 0.65 0.19 0.00 0.04 0.00 0.00 61.00 62.31 2d1u s PRO 77 Cb -0.10 -1.77 0.88 0.00 0.04 0.00 0.00 34.50 33.56 2d1u s PRO 77 CO 0.38 -2.53 1.60 0.36 0.04 0.00 0.00 177.00 176.86 2d1u n LYS 78 N -4.05 1.42 -3.49 4.56 0.00 -1.26 -4.62 118.16 110.71 2d1u n LYS 78 Ca 0.06 -0.62 -0.21 0.00 -0.00 0.00 0.00 58.31 57.53 2d1u n LYS 78 Cb 0.56 -1.34 -0.13 0.00 -0.00 0.00 0.00 35.03 34.12 2d1u n LYS 78 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 2d1u s GLU 79 N -1.88 0.21 -0.04 -1.58 2.12 -1.26 -5.13 118.70 111.14 2d1u s GLU 79 Ca 0.30 -0.08 -0.05 0.00 0.36 0.00 0.00 54.97 55.50 2d1u s GLU 79 Cb 0.15 -1.12 0.01 0.00 0.26 0.00 0.00 34.13 33.43 2d1u s GLU 79 CO 0.24 -0.84 0.13 0.16 -0.54 0.00 0.00 175.26 174.41 2d1u s ASP 80 N 2.27 -0.10 1.45 -1.70 -4.77 -1.26 -5.16 116.67 107.39 2d1u s ASP 80 Ca 0.07 0.17 -0.24 0.00 -3.30 0.00 0.00 52.55 49.26 2d1u s ASP 80 Cb -0.15 0.26 0.37 0.00 -1.09 0.00 0.00 42.92 42.31 2d1u s ASP 80 CO -0.23 -0.10 0.92 0.00 0.70 0.00 0.00 175.17 176.46 2d1u s ALA 81 N -0.20 -0.78 -0.41 2.11 0.00 -1.26 -4.81 121.76 116.41 2d1u s ALA 81 Ca -0.03 -0.86 -0.27 0.00 0.00 0.00 0.00 51.96 50.80 2d1u s ALA 81 Cb -0.02 -2.92 -0.04 0.00 0.00 0.00 0.00 23.12 20.13 2d1u s ALA 81 CO 0.00 -4.69 2.11 -1.17 0.00 0.00 0.00 175.76 172.02 2d1u s LEU 82 N -7.93 3.41 0.25 0.00 2.96 -1.26 -4.94 118.68 111.17 2d1u s LEU 82 Ca 0.69 1.19 0.05 0.00 -0.22 0.00 0.00 54.13 55.83 2d1u s LEU 82 Cb -0.12 -2.99 -0.05 0.00 0.50 0.00 0.00 46.19 43.52 2d1u s LEU 82 CO 0.57 -2.29 -0.02 0.28 -1.32 0.00 0.00 176.35 173.57 2d1u s THR 83 N 9.41 1.26 0.08 3.68 -1.32 -1.26 -5.12 115.64 122.37 2d1u s THR 83 Ca 0.88 -2.06 -0.31 0.00 -1.21 0.00 0.00 61.69 58.99 2d1u s THR 83 Cb -0.21 -2.38 -0.07 0.00 -1.51 0.00 0.00 72.50 68.32 2d1u s THR 83 CO 0.29 -0.32 1.42 -0.69 -2.21 0.00 0.00 174.62 173.11 2d1u s VAL 84 N -3.27 3.39 -0.74 5.08 1.01 -1.26 -4.95 120.40 119.67 2d1u s VAL 84 Ca 0.29 0.93 0.03 0.00 0.00 0.00 0.00 61.98 63.23 2d1u s VAL 84 Cb 0.05 -3.60 0.34 0.00 0.00 0.00 0.00 36.38 33.17 2d1u s VAL 84 CO 0.10 0.04 1.29 1.33 0.00 0.00 0.00 175.10 177.86 2d1u n VAL 85 N 4.24 4.15 -0.43 2.92 0.24 -1.26 -5.07 118.33 123.12 2d1u n VAL 85 Ca 0.12 -5.69 -0.28 0.00 -2.04 0.00 0.00 64.34 56.46 2d1u n VAL 85 Cb 0.42 -1.45 0.27 0.00 -1.47 0.00 0.00 33.84 31.62 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 -0.20 -2.31 3.40 7.63 0.00 -1.26 -5.05 105.19 107.40 2d1u n GLY 86 Ca 0.37 -1.26 -0.22 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.43 3.09 0.13 1.61 2.15 -1.26 -5.16 116.67 114.80 2d1u s ASP 87 Ca 0.69 -0.99 -0.01 0.00 0.43 0.00 0.00 52.55 52.67 2d1u s ASP 87 Cb -0.25 -0.22 -0.04 0.00 -0.30 0.00 0.00 42.92 42.11 2d1u s ASP 87 CO 0.65 -0.04 0.05 0.86 -0.17 0.00 0.00 175.17 176.53 2d1u s TRP 88 N -2.53 0.89 -0.20 -5.34 -0.11 -1.26 -5.08 118.94 105.31 2d1u s TRP 88 Ca 0.24 -1.22 -0.05 0.00 1.22 0.00 0.00 56.10 56.30 2d1u s TRP 88 Cb -0.04 -0.50 -0.11 0.00 -1.50 0.00 0.00 33.47 31.33 2d1u s TRP 88 CO 0.10 -0.50 -0.22 1.28 -4.62 0.00 0.00 176.95 173.00 2d1u n LEU 89 N -0.10 2.19 -0.65 5.86 7.99 -1.26 -5.13 117.00 125.90 2d1u n LEU 89 Ca -0.06 0.08 0.00 0.00 -0.01 0.00 0.00 56.01 56.02 2d1u n LEU 89 Cb 0.64 -0.63 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 2d1u n LEU 89 CO 0.31 0.62 -0.19 0.61 -1.51 0.00 0.00 177.39 177.23 2d1u n GLY 90 N 2.14 -3.60 2.81 -0.72 0.00 -1.26 -4.84 105.19 99.71 2d1u n GLY 90 Ca -0.37 -1.00 -0.35 0.00 0.00 0.00 0.00 46.02 44.30 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 -1.12 4.87 -3.74 1.61 2.03 -1.26 -4.97 116.55 113.98 2d1u n ASP 91 Ca 0.00 -3.36 -0.30 0.00 0.52 0.00 0.00 54.79 51.65 2d1u n ASP 91 Cb 0.03 -0.99 -0.15 0.00 -0.72 0.00 0.00 41.12 39.29 2d1u n ASP 91 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2d1u s ALA 92 N -2.33 1.56 -0.18 -1.67 0.00 -1.26 -5.11 121.76 112.77 2d1u s ALA 92 Ca 0.34 -1.68 -0.24 0.00 0.00 0.00 0.00 51.96 50.38 2d1u s ALA 92 Cb 0.06 -1.62 -0.02 0.00 0.00 0.00 0.00 23.12 21.54 2d1u s ALA 92 CO 0.00 -1.66 0.77 1.03 0.00 0.00 0.00 175.76 175.91 2d1u s ARG 93 N 1.61 4.28 -1.33 0.00 0.52 -1.26 -4.96 118.95 117.80 2d1u s ARG 93 Ca 0.10 0.90 -0.15 0.00 -0.52 0.00 0.00 55.73 56.06 2d1u s ARG 93 Cb -0.17 -3.57 -0.02 0.00 0.52 0.00 0.00 34.95 31.71 2d1u s ARG 93 CO -0.25 -0.30 2.26 -1.91 0.02 0.00 0.00 175.30 175.13 2d1u n GLU 94 N 5.16 2.68 -3.19 3.54 4.07 -1.26 -4.86 120.64 126.78 2d1u n GLU 94 Ca 0.03 -2.36 -0.46 0.00 -0.06 0.00 0.00 57.16 54.31 2d1u n GLU 94 Cb 0.49 -3.12 -0.02 0.00 -0.06 0.00 0.00 31.44 28.73 2d1u n GLU 94 CO 0.00 0.00 0.00 1.21 -0.06 0.00 0.00 177.13 178.28 2d1u s ASN 95 N 3.41 6.68 -0.55 4.31 3.84 -1.26 -5.01 114.94 126.37 2d1u s ASN 95 Ca 0.52 -2.41 -0.28 0.00 0.21 0.00 0.00 52.86 50.89 2d1u s ASN 95 Cb 0.14 -2.27 0.03 0.00 -0.55 0.00 0.00 41.25 38.60 2d1u s ASN 95 CO -0.05 -0.76 1.23 -0.62 -2.79 0.00 0.00 177.10 174.12 2d1u s ASP 96 N 2.72 6.43 -0.23 -4.21 2.15 -1.26 -4.95 116.67 117.31 2d1u s ASP 96 Ca 0.22 0.25 -0.27 0.00 0.43 0.00 0.00 52.55 53.18 2d1u s ASP 96 Cb -0.09 -2.55 0.11 0.00 -0.30 0.00 0.00 42.92 40.08 2d1u s ASP 96 CO -0.08 -1.47 0.95 -0.22 -0.17 0.00 0.00 175.17 174.17 2d1u s LEU 97 N 5.06 -0.50 -0.01 -1.34 0.20 -1.26 -5.17 118.68 115.66 2d1u s LEU 97 Ca 0.47 0.85 0.01 0.00 0.69 0.00 0.00 54.13 56.14 2d1u s LEU 97 Cb -0.08 2.02 0.01 0.00 -0.43 0.00 0.00 46.19 47.71 2d1u s LEU 97 CO 0.27 -0.24 -0.01 -1.61 -0.29 0.00 0.00 176.35 174.46 2d1u s GLU 98 N -0.15 0.22 -0.30 1.98 2.02 -1.26 -5.13 118.70 116.08 2d1u s GLU 98 Ca 0.00 -0.01 -0.11 0.00 0.02 0.00 0.00 54.97 54.87 2d1u s GLU 98 Cb -0.04 -0.30 0.17 0.00 0.10 0.00 0.00 34.13 34.06 2d1u s GLU 98 CO -0.02 -0.03 0.88 -1.58 0.02 0.00 0.00 175.26 174.53 2d1u s HIS 99 N 0.40 -0.91 -0.07 1.61 2.46 -1.26 -5.16 115.29 112.36 2d1u s HIS 99 Ca -0.04 1.30 -0.03 0.00 0.47 0.00 0.00 55.06 56.76 2d1u s HIS 99 Cb -0.06 0.44 0.04 0.00 -0.13 0.00 0.00 32.58 32.87 2d1u s HIS 99 CO -0.01 -0.47 0.16 -3.38 -2.47 0.00 0.00 174.74 168.56 2d1u s HIS 100 N 2.71 -0.18 -0.08 3.88 -3.43 -1.26 -5.15 115.29 111.78 2d1u s HIS 100 Ca 0.02 0.53 0.01 0.00 -0.80 0.00 0.00 55.06 54.81 2d1u s HIS 100 Cb -0.10 -0.10 -0.03 0.00 -1.43 0.00 0.00 32.58 30.93 2d1u s HIS 100 CO -0.17 -0.19 -0.09 -3.38 -2.00 0.00 0.00 174.74 168.92 2d1u s HIS 101 N 1.34 2.89 -0.21 0.38 -3.43 -1.26 -5.10 115.29 109.89 2d1u s HIS 101 Ca -0.07 -0.09 -0.01 0.00 -0.80 0.00 0.00 55.06 54.09 2d1u s HIS 101 Cb -0.12 -1.72 0.06 0.00 -1.43 0.00 0.00 32.58 29.37 2d1u s HIS 101 CO -0.06 0.23 -0.01 -1.58 -2.00 0.00 0.00 174.74 171.32 2d1u s HIS 102 N -0.61 1.75 0.09 0.38 5.04 -1.26 -5.10 115.29 115.58 2d1u s HIS 102 Ca 0.09 -1.33 -0.34 0.00 -1.54 0.00 0.00 55.06 51.94 2d1u s HIS 102 Cb -0.12 -1.32 -0.14 0.00 0.04 0.00 0.00 32.58 31.05 2d1u s HIS 102 CO 0.02 -0.70 1.62 1.58 -2.34 0.00 0.00 174.74 174.92 2d1u n HIS 103 N 4.85 2.21 1.36 3.88 -0.00 -1.26 -5.38 115.22 120.87 2d1u n HIS 103 Ca -0.11 0.25 0.13 0.00 0.46 0.00 0.00 57.72 58.46 2d1u n HIS 103 Cb 0.45 -2.55 0.40 0.00 -0.12 0.00 0.00 29.99 28.18 2d1u n HIS 103 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52