#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aby h GLN 2 N 0.00 0.65 0.00 0.03 4.20 -1.93 -3.34 115.11 114.71 2aby h GLN 2 Ca 0.00 -0.80 -0.13 0.00 0.06 0.00 0.00 58.65 57.78 2aby h GLN 2 Cb 0.00 0.25 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 2aby h GLN 2 CO 0.00 1.36 -0.10 1.63 -0.67 0.00 0.00 178.83 181.05 2aby n LYS 3 N -3.81 1.09 -0.35 1.46 4.76 -1.26 -4.57 118.16 115.49 2aby n LYS 3 Ca -0.13 -0.76 0.00 0.00 -2.87 0.00 0.00 58.31 54.56 2aby n LYS 3 Cb 0.95 0.35 0.00 0.00 -1.84 0.00 0.00 35.03 34.50 2aby n LYS 3 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2aby n GLY 4 N 2.20 0.85 3.25 0.72 0.00 -1.26 -5.03 105.19 105.92 2aby n GLY 4 Ca -0.02 -0.35 -0.14 0.00 0.00 0.00 0.00 46.02 45.51 2aby n GLY 4 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aby s LEU 5 N 0.00 2.28 -0.18 0.99 2.01 -1.26 -1.71 118.68 120.81 2aby s LEU 5 Ca 0.00 -1.12 -0.17 0.00 0.01 0.00 0.00 54.13 52.85 2aby s LEU 5 Cb 0.00 -0.16 -0.04 0.00 0.01 0.00 0.00 46.19 46.00 2aby s LEU 5 CO 0.00 -0.49 0.43 -1.61 1.01 0.00 0.00 176.35 175.69 2aby s GLU 6 N -3.86 4.21 0.00 1.70 8.01 -1.26 -3.74 118.70 123.77 2aby s GLU 6 Ca 0.21 0.28 -0.02 0.00 0.01 0.00 0.00 54.97 55.45 2aby s GLU 6 Cb 0.05 -3.52 -0.01 0.00 -4.31 0.00 0.00 34.13 26.35 2aby s GLU 6 CO 0.03 -0.00 0.04 0.96 0.01 0.00 0.00 175.26 176.29 2aby s ILE 7 N 1.19 0.07 0.03 -1.63 -0.00 0.11 -4.98 121.20 115.99 2aby s ILE 7 Ca 0.21 -0.57 0.07 0.00 -0.00 0.00 0.00 60.65 60.36 2aby s ILE 7 Cb -0.15 -0.25 -0.03 0.00 -0.00 0.00 0.00 42.46 42.04 2aby s ILE 7 CO 0.08 -0.31 -0.19 0.00 -0.00 0.00 0.00 174.94 174.52 2aby s ALA 8 N -0.97 2.55 -0.02 2.27 0.00 -1.26 -1.40 121.76 122.94 2aby s ALA 8 Ca -0.11 -1.17 0.04 0.00 0.00 0.00 0.00 51.96 50.72 2aby s ALA 8 Cb -0.06 -0.73 -0.00 0.00 0.00 0.00 0.00 23.12 22.32 2aby s ALA 8 CO -0.00 0.57 -0.12 0.12 0.00 0.00 0.00 175.76 176.32 2aby s PHE 9 N -0.88 1.16 0.29 0.00 5.36 -0.56 -4.79 117.98 118.55 2aby s PHE 9 Ca 0.14 -0.26 0.02 0.00 -0.96 0.00 0.00 56.93 55.87 2aby s PHE 9 Cb -0.10 -0.77 -0.03 0.00 -0.34 0.00 0.00 43.02 41.77 2aby s PHE 9 CO 0.04 -0.07 0.46 1.14 -1.46 0.00 0.00 175.22 175.33 2aby s GLN 10 N -0.10 3.48 -0.21 10.12 -2.07 -1.26 -0.71 119.66 128.90 2aby s GLN 10 Ca 0.01 -0.48 -0.27 0.00 -1.82 0.00 0.00 55.36 52.79 2aby s GLN 10 Cb -0.07 -2.77 0.11 0.00 -1.09 0.00 0.00 33.01 29.19 2aby s GLN 10 CO 0.00 0.29 0.92 -0.08 -1.32 0.00 0.00 175.29 175.10 2aby s THR 11 N -2.13 0.00 0.15 3.63 -1.32 0.32 -4.93 115.64 111.36 2aby s THR 11 Ca 0.38 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.86 2aby s THR 11 Cb -0.10 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.89 2aby s THR 11 CO 0.32 0.00 0.00 -0.38 -2.21 0.00 0.00 174.62 172.35 2aby n ILE 12 N 1.68 0.23 -3.65 5.08 -0.00 -1.26 -0.72 119.36 120.72 2aby n ILE 12 Ca -0.13 0.08 -0.00 0.00 -0.00 0.00 0.00 62.75 62.70 2aby n ILE 12 Cb 0.56 -0.83 0.00 0.00 -0.00 0.00 0.00 39.64 39.38 2aby n ILE 12 CO 0.00 0.00 0.00 -3.20 -0.00 0.00 0.00 176.55 173.35 2aby n ASN 13 N -3.17 -0.31 0.00 4.38 2.85 -1.26 -4.84 115.26 112.91 2aby n ASN 13 Ca 0.00 -1.13 0.00 0.00 -0.11 0.00 0.00 54.58 53.34 2aby n ASN 13 Cb 0.06 0.49 0.00 0.00 1.24 0.00 0.00 39.78 41.57 2aby n ASN 13 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2aby n GLY 14 N -0.16 2.03 0.00 8.20 0.00 -1.26 -3.10 105.19 110.91 2aby n GLY 14 Ca 0.00 -0.14 0.02 0.00 0.00 0.00 0.00 46.02 45.90 2aby n GLY 14 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2aby n LEU 15 N 0.00 0.06 -0.07 0.99 4.77 -1.26 -4.69 117.00 116.80 2aby n LEU 15 Ca 0.00 -0.15 -0.07 0.00 -0.03 0.00 0.00 56.01 55.76 2aby n LEU 15 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 2aby n LEU 15 CO 0.00 0.02 0.79 0.44 -1.33 0.00 0.00 177.39 177.31 2aby h ASP 16 N 0.00 -0.34 -0.51 -1.43 3.32 -1.94 -1.23 116.42 114.30 2aby h ASP 16 Ca 0.00 0.09 0.09 0.00 0.02 0.00 0.00 57.03 57.24 2aby h ASP 16 Cb 0.17 0.21 -0.08 0.00 0.22 0.00 0.00 39.33 39.85 2aby h ASP 16 CO 0.00 -0.13 0.05 -0.33 -1.72 0.00 0.00 179.24 177.12 2aby h GLU 17 N -0.04 0.17 -0.75 3.56 4.39 -1.84 0.27 114.58 120.35 2aby h GLU 17 Ca 0.14 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.85 2aby h GLU 17 Cb 0.25 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.82 2aby h GLU 17 CO -0.31 0.11 0.48 0.66 -1.16 0.00 0.00 179.01 178.79 2aby h SER 18 N 0.17 0.82 -0.13 1.42 4.64 -1.67 -1.08 113.55 117.72 2aby h SER 18 Ca 0.26 -0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 61.46 2aby h SER 18 Cb 0.38 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 2aby h SER 18 CO -0.38 0.58 -0.28 0.25 -0.87 0.00 0.00 176.83 176.12 2aby h LEU 19 N 0.96 0.62 0.35 5.97 7.12 -0.06 -0.49 115.31 129.79 2aby h LEU 19 Ca 0.29 -0.23 -0.02 0.00 0.13 0.00 0.00 57.88 58.05 2aby h LEU 19 Cb -0.04 -0.17 0.00 0.00 -0.53 0.00 0.00 40.66 39.92 2aby h LEU 19 CO -0.09 0.87 -0.17 0.58 -0.13 0.00 0.00 178.44 179.51 2aby h VAL 20 N 0.52 0.66 -0.50 1.05 2.07 0.14 0.30 116.25 120.48 2aby h VAL 20 Ca 0.07 -0.37 -0.04 0.00 0.82 0.00 0.00 66.70 67.17 2aby h VAL 20 Cb 0.75 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 2aby h VAL 20 CO 0.06 0.07 0.16 1.56 0.02 0.00 0.00 177.57 179.44 2aby h GLN 21 N -0.69 0.78 0.23 1.57 1.08 -1.23 0.28 115.11 117.13 2aby h GLN 21 Ca -0.05 -0.17 -0.01 0.00 -1.45 0.00 0.00 58.65 56.97 2aby h GLN 21 Cb 0.48 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.80 2aby h GLN 21 CO 0.08 0.73 -0.12 0.00 -0.95 0.00 0.00 178.83 178.58 2aby h ALA 22 N 1.02 -0.31 -0.11 3.87 0.00 -1.08 -1.01 119.26 121.64 2aby h ALA 22 Ca 0.16 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2aby h ALA 22 Cb 0.28 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2aby h ALA 22 CO -0.00 -0.68 -0.18 1.37 0.00 0.00 0.00 179.25 179.75 2aby h LEU 23 N -0.32 0.17 -0.01 0.00 8.10 -0.87 -1.20 115.31 121.18 2aby h LEU 23 Ca -0.03 -0.04 -0.00 0.00 0.11 0.00 0.00 57.88 57.92 2aby h LEU 23 Cb 0.25 -0.05 -0.00 0.00 -0.44 0.00 0.00 40.66 40.42 2aby h LEU 23 CO 0.05 0.37 0.00 0.00 -4.11 0.00 0.00 178.44 174.75 2aby h ALA 24 N 1.65 0.02 -0.10 0.17 0.00 -0.52 -0.23 119.26 120.25 2aby h ALA 24 Ca 0.03 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 2aby h ALA 24 Cb 0.43 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2aby h ALA 24 CO 0.03 -0.36 -0.05 0.78 0.00 0.00 0.00 179.25 179.65 2aby h GLY 25 N -0.22 0.22 0.89 0.00 0.00 -1.03 -0.77 103.07 102.16 2aby h GLY 25 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.14 2aby h GLY 25 CO 0.00 0.18 -0.08 -2.08 0.00 0.00 0.00 176.54 174.55 2aby h VAL 26 N -0.17 0.81 0.47 4.60 2.07 -1.27 0.31 116.25 123.08 2aby h VAL 26 Ca 0.02 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 2aby h VAL 26 Cb 0.50 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 2aby h VAL 26 CO 0.01 0.00 -0.23 0.74 0.02 0.00 0.00 177.57 178.12 2aby h THR 27 N -0.19 0.53 -0.79 2.57 2.02 -1.09 0.28 112.91 116.24 2aby h THR 27 Ca 0.00 -0.12 0.07 0.00 0.77 0.00 0.00 66.41 67.13 2aby h THR 27 Cb 0.18 0.59 -0.05 0.00 -1.74 0.00 0.00 68.15 67.13 2aby h THR 27 CO -0.02 0.02 0.52 0.00 0.37 0.00 0.00 175.52 176.41 2aby h ALA 28 N -0.20 1.67 -0.00 6.16 0.00 -1.09 0.12 119.26 125.92 2aby h ALA 28 Ca -0.06 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.67 2aby h ALA 28 Cb 0.52 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2aby h ALA 28 CO 0.11 0.19 -0.75 0.66 0.00 0.00 0.00 179.25 179.46 2aby h SER 29 N 0.82 0.03 1.57 0.00 4.64 -0.13 -3.02 113.55 117.46 2aby h SER 29 Ca 0.35 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 2aby h SER 29 Cb 0.30 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 2aby h SER 29 CO -0.13 0.77 -0.11 0.44 -0.87 0.00 0.00 176.83 176.93 2aby h ASP 30 N 0.02 0.00 -2.22 4.97 5.19 0.96 -3.34 116.42 122.00 2aby h ASP 30 Ca -0.01 -0.02 -0.57 0.00 -0.62 0.00 0.00 57.03 55.81 2aby h ASP 30 Cb 1.32 0.00 -0.42 0.00 0.18 0.00 0.00 39.33 40.42 2aby h ASP 30 CO 0.10 0.01 -0.73 0.49 -3.12 0.00 0.00 179.24 175.99 2aby n PHE 31 N -2.55 3.46 -0.12 4.55 3.72 0.29 -4.87 117.46 121.95 2aby n PHE 31 Ca 0.05 -3.94 -0.13 0.00 -0.05 0.00 0.00 57.45 53.37 2aby n PHE 31 Cb 0.47 -0.47 -0.02 0.00 -0.94 0.00 0.00 39.48 38.53 2aby n PHE 31 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2aby h PRO 32 N 2.97 0.93 0.00 -1.08 0.13 -1.69 -3.27 132.00 130.00 2aby h PRO 32 Ca 0.13 -0.49 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2aby h PRO 32 Cb 0.58 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.73 2aby h PRO 32 CO 0.77 1.14 -1.06 -0.25 -0.23 0.00 0.00 178.00 178.38 2aby n ASP 33 N -4.06 0.84 0.00 1.44 8.00 -1.26 -4.27 116.55 117.24 2aby n ASP 33 Ca -0.02 -0.69 0.09 0.00 0.71 0.00 0.00 54.79 54.88 2aby n ASP 33 Cb 0.55 1.20 0.41 0.00 -0.02 0.00 0.00 41.12 43.25 2aby n ASP 33 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2aby n LEU 34 N -1.58 0.00 -3.54 0.64 4.32 -1.23 -4.92 117.00 110.69 2aby n LEU 34 Ca 0.02 0.41 -0.18 0.00 -0.02 0.00 0.00 56.01 56.24 2aby n LEU 34 Cb 0.32 -0.41 0.01 0.00 -1.62 0.00 0.00 43.42 41.71 2aby n LEU 34 CO 0.36 -0.16 -0.02 0.47 -1.22 0.00 0.00 177.39 176.81 2aby n ASP 35 N -1.41 -5.90 -4.76 -1.43 8.00 -1.24 -4.78 116.55 105.03 2aby n ASP 35 Ca 0.06 -0.68 -0.40 0.00 0.71 0.00 0.00 54.79 54.48 2aby n ASP 35 Cb 0.18 -3.12 -0.03 0.00 -0.02 0.00 0.00 41.12 38.13 2aby n ASP 35 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2aby s ILE 36 N -3.07 3.11 -0.87 0.53 2.07 -1.26 -4.73 121.20 116.98 2aby s ILE 36 Ca 0.07 1.12 0.01 0.00 -1.41 0.00 0.00 60.65 60.44 2aby s ILE 36 Cb -0.03 -3.71 0.31 0.00 0.13 0.00 0.00 42.46 39.16 2aby s ILE 36 CO 0.84 0.27 1.37 0.29 -1.91 0.00 0.00 174.94 175.80 2aby n LYS 37 N 1.01 4.24 -4.60 3.50 4.01 -0.33 -5.01 118.16 120.98 2aby n LYS 37 Ca -0.01 -4.70 -0.28 0.00 -0.51 0.00 0.00 58.31 52.82 2aby n LYS 37 Cb 0.43 -2.39 -0.11 0.00 -0.51 0.00 0.00 35.03 32.45 2aby n LYS 37 CO 0.00 0.00 0.00 1.52 -1.11 0.00 0.00 177.40 177.81 2aby s TYR 38 N -3.49 2.51 -0.06 2.13 1.13 -1.26 -1.11 117.35 117.20 2aby s TYR 38 Ca 0.40 -0.65 -0.32 0.00 -1.41 0.00 0.00 57.07 55.09 2aby s TYR 38 Cb 0.17 -1.75 0.14 0.00 -1.10 0.00 0.00 41.96 39.42 2aby s TYR 38 CO -0.06 0.46 1.37 0.54 -2.51 0.00 0.00 175.55 175.35 2aby s ASN 39 N -3.70 -0.03 -0.10 -0.18 2.20 0.21 -4.97 114.94 108.38 2aby s ASN 39 Ca 0.35 -0.06 0.02 0.00 -0.94 0.00 0.00 52.86 52.22 2aby s ASN 39 Cb 0.09 0.07 0.01 0.00 -2.00 0.00 0.00 41.25 39.43 2aby s ASN 39 CO 0.18 -0.14 -0.14 0.27 -2.94 0.00 0.00 177.10 174.33 2aby s ILE 40 N -2.19 1.36 0.03 0.54 -4.36 -1.26 -1.50 121.20 113.81 2aby s ILE 40 Ca 0.15 -0.57 0.05 0.00 -0.26 0.00 0.00 60.65 60.02 2aby s ILE 40 Cb 0.06 -1.25 -0.02 0.00 1.25 0.00 0.00 42.46 42.51 2aby s ILE 40 CO -0.06 0.41 -0.15 0.72 0.24 0.00 0.00 174.94 176.11 2aby s PHE 41 N 0.94 1.28 -0.27 1.37 -0.12 -0.66 -1.87 117.98 118.65 2aby s PHE 41 Ca -0.08 -0.33 -0.09 0.00 -0.05 0.00 0.00 56.93 56.38 2aby s PHE 41 Cb -0.15 -0.77 -0.04 0.00 -0.63 0.00 0.00 43.02 41.43 2aby s PHE 41 CO -0.00 0.03 0.13 -1.17 -0.05 0.00 0.00 175.22 174.16 2aby s LEU 42 N -0.94 3.75 -0.16 -1.99 1.98 0.16 -1.55 118.68 119.92 2aby s LEU 42 Ca 0.03 -0.12 -0.08 0.00 -2.89 0.00 0.00 54.13 51.08 2aby s LEU 42 Cb -0.07 -2.02 -0.04 0.00 0.66 0.00 0.00 46.19 44.71 2aby s LEU 42 CO 0.01 -0.05 0.10 0.68 -1.89 0.00 0.00 176.35 175.20 2aby s VAL 43 N 1.69 5.15 -0.25 1.68 -7.23 0.02 -1.26 120.40 120.21 2aby s VAL 43 Ca 0.07 0.09 -0.03 0.00 -1.81 0.00 0.00 61.98 60.30 2aby s VAL 43 Cb -0.16 -3.29 0.08 0.00 0.56 0.00 0.00 36.38 33.57 2aby s VAL 43 CO 0.07 0.52 0.08 -0.62 -0.31 0.00 0.00 175.10 174.84 2aby s ASP 44 N -0.19 3.34 0.09 4.85 2.15 -1.25 -1.31 116.67 124.34 2aby s ASP 44 Ca 0.09 -1.15 -0.12 0.00 0.43 0.00 0.00 52.55 51.81 2aby s ASP 44 Cb -0.12 -0.61 0.01 0.00 -0.30 0.00 0.00 42.92 41.91 2aby s ASP 44 CO 0.01 -0.37 0.27 -1.48 -0.17 0.00 0.00 175.17 173.43 2aby s LEU 45 N 1.85 1.05 -1.68 -1.34 -0.00 -0.76 -4.89 118.68 112.91 2aby s LEU 45 Ca 0.04 -0.47 -0.02 0.00 -0.00 0.00 0.00 54.13 53.69 2aby s LEU 45 Cb -0.17 1.31 0.00 0.00 -0.00 0.00 0.00 46.19 47.33 2aby s LEU 45 CO -0.19 -0.74 0.20 -1.22 -0.00 0.00 0.00 176.35 174.40 2aby n TYR 46 N 0.03 -1.34 -1.29 3.48 4.02 -1.26 -1.00 117.16 119.79 2aby n TYR 46 Ca -0.16 0.17 -0.10 0.00 -0.01 0.00 0.00 57.90 57.80 2aby n TYR 46 Cb 0.62 -4.08 -0.04 0.00 -0.02 0.00 0.00 39.34 35.82 2aby n TYR 46 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2aby n GLY 47 N -1.17 1.07 3.24 2.72 0.00 -1.26 -4.97 105.19 104.82 2aby n GLY 47 Ca -0.20 -0.18 -0.29 0.00 0.00 0.00 0.00 46.02 45.35 2aby n GLY 47 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2aby s GLN 48 N -2.68 2.10 -0.15 1.61 -0.21 -0.17 -5.13 119.66 115.03 2aby s GLN 48 Ca 0.00 -0.82 -0.04 0.00 0.02 0.00 0.00 55.36 54.52 2aby s GLN 48 Cb 0.00 -1.89 -0.03 0.00 1.00 0.00 0.00 33.01 32.08 2aby s GLN 48 CO 0.00 0.41 0.00 0.15 -2.12 0.00 0.00 175.29 173.73 2aby s LYS 49 N -0.31 3.64 -0.15 2.91 3.01 -1.26 -1.83 119.74 125.76 2aby s LYS 49 Ca 0.02 -0.44 -0.15 0.00 -1.01 0.00 0.00 55.97 54.39 2aby s LYS 49 Cb -0.11 -2.98 0.04 0.00 -1.01 0.00 0.00 37.83 33.77 2aby s LYS 49 CO 0.01 0.34 0.42 0.71 0.51 0.00 0.00 175.35 177.34 2aby s TYR 50 N 0.12 -0.45 -0.16 3.18 2.02 -0.43 -5.02 117.35 116.62 2aby s TYR 50 Ca 0.01 1.09 -0.06 0.00 -0.37 0.00 0.00 57.07 57.74 2aby s TYR 50 Cb -0.13 0.16 -0.04 0.00 -0.40 0.00 0.00 41.96 41.55 2aby s TYR 50 CO 0.02 -0.24 0.05 -0.06 -1.57 0.00 0.00 175.55 173.75 2aby s PHE 51 N 0.11 3.24 -0.01 2.71 0.40 0.10 -0.80 117.98 123.74 2aby s PHE 51 Ca -0.01 0.08 0.04 0.00 -0.60 0.00 0.00 56.93 56.45 2aby s PHE 51 Cb -0.03 -2.02 -0.01 0.00 0.51 0.00 0.00 43.02 41.47 2aby s PHE 51 CO 0.01 0.22 -0.14 1.03 0.70 0.00 0.00 175.22 177.03 2aby s ARG 52 N 0.12 1.12 -0.04 0.44 1.81 -0.60 -0.52 118.95 121.28 2aby s ARG 52 Ca 0.04 -0.53 0.06 0.00 -1.72 0.00 0.00 55.73 53.59 2aby s ARG 52 Cb -0.12 -1.09 -0.02 0.00 -0.45 0.00 0.00 34.95 33.27 2aby s ARG 52 CO 0.01 0.30 -0.23 0.96 -0.68 0.00 0.00 175.30 175.66 2aby s ILE 53 N -0.38 2.31 -0.13 1.52 -5.25 0.11 -1.65 121.20 117.73 2aby s ILE 53 Ca 0.05 -0.99 0.02 0.00 -0.99 0.00 0.00 60.65 58.73 2aby s ILE 53 Cb -0.06 -1.84 0.00 0.00 2.95 0.00 0.00 42.46 43.51 2aby s ILE 53 CO -0.00 0.58 -0.19 -0.22 -1.79 0.00 0.00 174.94 173.31 2aby s LEU 54 N -0.45 2.31 -0.13 0.37 0.20 -0.56 -1.50 118.68 118.92 2aby s LEU 54 Ca 0.05 -0.51 -0.00 0.00 0.69 0.00 0.00 54.13 54.36 2aby s LEU 54 Cb -0.12 -1.50 0.02 0.00 -0.43 0.00 0.00 46.19 44.17 2aby s LEU 54 CO 0.01 0.11 -0.10 0.12 -0.29 0.00 0.00 176.35 176.20 2aby s PHE 55 N 0.63 1.81 0.05 5.38 5.36 -0.49 -0.62 117.98 130.10 2aby s PHE 55 Ca -0.10 -0.98 0.06 0.00 -0.96 0.00 0.00 56.93 54.95 2aby s PHE 55 Cb -0.16 -1.40 -0.02 0.00 -0.34 0.00 0.00 43.02 41.09 2aby s PHE 55 CO 0.03 -0.59 -0.18 -1.14 -1.46 0.00 0.00 175.22 171.87 2aby s GLN 56 N 1.60 1.16 0.56 10.12 0.74 -0.27 0.09 119.66 133.67 2aby s GLN 56 Ca 0.05 -0.89 0.08 0.00 0.05 0.00 0.00 55.36 54.65 2aby s GLN 56 Cb -0.13 -1.25 0.07 0.00 1.10 0.00 0.00 33.01 32.80 2aby s GLN 56 CO -0.09 0.31 0.62 -1.12 -0.55 0.00 0.00 175.29 174.46 2aby s SER 57 N -1.24 4.88 -0.18 6.67 0.01 -1.25 -1.19 113.70 121.40 2aby s SER 57 Ca 0.05 -1.04 0.11 0.00 1.31 0.00 0.00 55.95 56.38 2aby s SER 57 Cb -0.09 0.38 -0.23 0.00 0.21 0.00 0.00 66.02 66.30 2aby s SER 57 CO 0.02 -1.25 0.11 1.17 0.41 0.00 0.00 173.24 173.70 2aby n LYS 58 N -2.03 0.68 0.00 12.44 3.00 -1.26 -4.18 118.16 126.80 2aby n LYS 58 Ca 0.08 0.10 0.15 0.00 -0.00 0.00 0.00 58.31 58.64 2aby n LYS 58 Cb 0.63 -1.58 0.69 0.00 0.00 0.00 0.00 35.03 34.77 2aby n LYS 58 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2aby n LYS 59 N -2.99 0.57 -1.52 1.64 4.01 -1.26 -4.91 118.16 113.70 2aby n LYS 59 Ca -0.34 -0.11 -0.53 0.00 -0.51 0.00 0.00 58.31 56.82 2aby n LYS 59 Cb 1.09 -1.50 -0.06 0.00 -0.51 0.00 0.00 35.03 34.05 2aby n LYS 59 CO 0.00 0.00 0.00 1.47 -1.11 0.00 0.00 177.40 177.76 2aby n LEU 60 N -1.12 0.42 -4.61 -0.35 -0.00 -0.69 -4.93 117.00 105.72 2aby n LEU 60 Ca 0.15 1.14 -0.31 0.00 -0.00 0.00 0.00 56.01 56.99 2aby n LEU 60 Cb 0.25 -1.04 -0.10 0.00 -0.00 0.00 0.00 43.42 42.53 2aby n LEU 60 CO 0.23 -1.81 -0.39 -0.44 -0.00 0.00 0.00 177.39 174.99 2aby s SER 61 N -0.10 4.62 0.10 1.45 0.01 -1.26 -5.03 113.70 113.48 2aby s SER 61 Ca 0.81 -0.25 -0.13 0.00 1.31 0.00 0.00 55.95 57.69 2aby s SER 61 Cb -1.06 -1.01 -0.16 0.00 0.21 0.00 0.00 66.02 64.01 2aby s SER 61 CO 0.54 0.22 1.30 -0.33 0.41 0.00 0.00 173.24 175.37 2aby h GLU 62 N 3.92 0.77 0.00 12.44 5.08 -2.01 -3.46 114.58 131.32 2aby h GLU 62 Ca -0.48 -0.63 0.00 0.00 -1.00 0.00 0.00 59.36 57.24 2aby h GLU 62 Cb 1.17 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.55 2aby h GLU 62 CO 0.54 1.24 0.00 1.28 -1.00 0.00 0.00 179.01 181.07 2aby n LEU 63 N -3.97 0.00 -2.53 1.33 7.99 -1.26 -4.92 117.00 113.64 2aby n LEU 63 Ca -0.08 0.00 -0.04 0.00 -0.01 0.00 0.00 56.01 55.88 2aby n LEU 63 Cb 0.73 0.00 0.01 0.00 -0.11 0.00 0.00 43.42 44.05 2aby n LEU 63 CO 0.52 -0.33 0.10 1.41 -1.51 0.00 0.00 177.39 177.58 2aby n HIS 64 N -0.66 -2.44 0.56 -1.77 8.25 -1.26 -4.89 115.22 113.01 2aby n HIS 64 Ca 0.00 0.97 0.07 0.00 -0.26 0.00 0.00 57.72 58.50 2aby n HIS 64 Cb 0.00 -3.40 0.33 0.00 1.12 0.00 0.00 29.99 28.04 2aby n HIS 64 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2aby n PRO 65 N -0.71 0.07 -0.14 -0.41 -0.04 -1.26 -3.17 135.00 129.35 2aby n PRO 65 Ca 0.06 0.22 -0.08 0.00 -0.04 0.00 0.00 63.50 63.66 2aby n PRO 65 Cb 0.38 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 2aby n PRO 65 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2aby h GLU 66 N 0.00 0.57 -0.03 0.54 4.57 -2.00 -1.59 114.58 116.64 2aby h GLU 66 Ca 0.00 -0.05 -0.20 0.00 -1.18 0.00 0.00 59.36 57.93 2aby h GLU 66 Cb 0.21 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 2aby h GLU 66 CO 0.00 0.43 -0.82 1.05 -1.18 0.00 0.00 179.01 178.49 2aby h GLU 67 N 0.55 0.32 -0.07 1.92 4.11 -1.91 -2.70 114.58 116.80 2aby h GLU 67 Ca 0.15 -0.31 0.01 0.00 0.07 0.00 0.00 59.36 59.28 2aby h GLU 67 Cb 0.01 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2aby h GLU 67 CO -0.03 0.98 0.02 0.00 0.07 0.00 0.00 179.01 180.05 2aby h ARG 68 N 0.20 0.05 -0.58 1.06 3.08 -1.60 -1.39 114.38 115.21 2aby h ARG 68 Ca -0.05 -0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.90 2aby h ARG 68 Cb 1.42 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.44 2aby h ARG 68 CO 0.13 0.04 -0.05 1.57 -1.07 0.00 0.00 179.97 180.60 2aby h LYS 69 N 0.06 1.04 0.05 0.04 2.10 -1.35 -1.19 116.57 117.31 2aby h LYS 69 Ca 0.03 -0.35 0.02 0.00 -2.00 0.00 0.00 60.65 58.35 2aby h LYS 69 Cb 0.02 -0.08 -0.03 0.00 -0.90 0.00 0.00 32.23 31.23 2aby h LYS 69 CO -0.04 1.04 -0.19 -0.22 -2.00 0.00 0.00 179.45 178.05 2aby h LYS 70 N 0.94 -0.32 -0.22 0.07 1.63 -1.19 -1.75 116.57 115.74 2aby h LYS 70 Ca 0.16 0.02 -0.09 0.00 -0.85 0.00 0.00 60.65 59.89 2aby h LYS 70 Cb 0.60 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.29 2aby h LYS 70 CO 0.04 -0.21 -0.25 -0.39 -3.45 0.00 0.00 179.45 175.19 2aby h VAL 71 N -0.33 1.26 0.06 2.00 -1.51 -1.22 -1.49 116.25 115.01 2aby h VAL 71 Ca 0.04 -1.22 0.02 0.00 -1.23 0.00 0.00 66.70 64.32 2aby h VAL 71 Cb 0.38 1.36 -0.03 0.00 -2.13 0.00 0.00 31.29 30.87 2aby h VAL 71 CO -0.14 0.38 -0.18 0.03 -1.23 0.00 0.00 177.57 176.43 2aby h ARG 72 N 0.36 -0.32 -0.27 5.19 -0.00 -0.64 0.22 114.38 118.93 2aby h ARG 72 Ca 0.06 0.02 -0.12 0.00 -0.50 0.00 0.00 59.98 59.44 2aby h ARG 72 Cb 0.63 0.07 -0.00 0.00 0.00 0.00 0.00 29.97 30.67 2aby h ARG 72 CO 0.05 -0.21 -0.31 1.05 0.00 0.00 0.00 179.97 180.55 2aby h GLU 73 N -0.33 0.68 0.05 0.04 4.11 -1.28 -1.31 114.58 116.54 2aby h GLU 73 Ca 0.04 -0.37 0.02 0.00 0.07 0.00 0.00 59.36 59.11 2aby h GLU 73 Cb 0.37 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 2aby h GLU 73 CO -0.13 0.99 -0.19 -0.22 0.07 0.00 0.00 179.01 179.53 2aby h LYS 74 N 0.41 -0.33 -0.25 1.06 3.11 -1.06 -1.53 116.57 117.98 2aby h LYS 74 Ca 0.04 0.02 -0.08 0.00 -2.81 0.00 0.00 60.65 57.82 2aby h LYS 74 Cb 0.88 0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 32.17 2aby h LYS 74 CO 0.07 -0.22 -0.19 0.27 -2.81 0.00 0.00 179.45 176.58 2aby h PHE 75 N -0.34 0.48 0.04 1.91 -5.15 -0.61 -1.51 116.94 111.75 2aby h PHE 75 Ca 0.04 -0.08 0.02 0.00 -0.20 0.00 0.00 57.97 57.75 2aby h PHE 75 Cb 0.39 -0.12 -0.02 0.00 0.22 0.00 0.00 35.95 36.41 2aby h PHE 75 CO -0.21 0.60 -0.14 -0.44 -2.00 0.00 0.00 178.31 176.12 2aby h ASP 76 N 0.40 -0.39 -0.19 -0.68 3.32 -0.61 -0.62 116.42 117.65 2aby h ASP 76 Ca 0.07 0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.10 2aby h ASP 76 Cb 0.56 0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.26 2aby h ASP 76 CO 0.04 -0.20 -0.14 1.05 -1.72 0.00 0.00 179.24 178.27 2aby h GLU 77 N -0.25 0.43 -1.00 3.56 4.11 -1.21 -1.71 114.58 118.51 2aby h GLU 77 Ca 0.03 -0.21 0.18 0.00 0.07 0.00 0.00 59.36 59.44 2aby h GLU 77 Cb 0.29 -0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.44 2aby h GLU 77 CO -0.11 0.75 0.62 -0.91 0.07 0.00 0.00 179.01 179.43 2aby h ASN 78 N 0.10 0.77 -0.01 3.06 4.21 -1.12 0.43 115.58 123.02 2aby h ASN 78 Ca 0.04 0.08 -0.16 0.00 1.21 0.00 0.00 56.30 57.47 2aby h ASN 78 Cb 0.65 -0.06 0.01 0.00 -1.12 0.00 0.00 38.32 37.80 2aby h ASN 78 CO 0.04 0.30 -0.64 0.77 -1.29 0.00 0.00 177.43 176.61 2aby h SER 79 N 0.77 0.58 0.48 5.81 4.64 -1.03 -3.11 113.55 121.69 2aby h SER 79 Ca 0.56 -0.74 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 2aby h SER 79 Cb 0.86 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 2aby h SER 79 CO -0.34 1.25 0.00 -2.11 -0.87 0.00 0.00 176.83 174.75 2aby n ARG 80 N -4.18 0.08 -1.27 4.77 -4.01 -0.56 -4.86 116.66 106.62 2aby n ARG 80 Ca -0.10 0.19 -0.40 0.00 -1.04 0.00 0.00 57.85 56.49 2aby n ARG 80 Cb 0.69 -1.50 0.00 0.00 -3.04 0.00 0.00 32.46 28.61 2aby n ARG 80 CO 0.00 0.00 0.00 -1.33 -3.04 0.00 0.00 177.63 173.26 2aby n MET 81 N -1.43 0.01 -0.59 2.89 2.81 0.14 -4.87 117.12 116.08 2aby n MET 81 Ca 0.05 0.00 -0.30 0.00 -1.81 0.00 0.00 57.70 55.64 2aby n MET 81 Cb 0.17 -1.01 0.21 0.00 -0.71 0.00 0.00 33.22 31.89 2aby n MET 81 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 2aby n GLN 82 N 1.41 -1.69 -0.03 0.03 1.13 -1.26 -4.70 117.38 112.27 2aby n GLN 82 Ca 0.10 -0.46 -0.01 0.00 -1.94 0.00 0.00 57.00 54.69 2aby n GLN 82 Cb 0.44 -2.07 0.26 0.00 0.11 0.00 0.00 30.24 28.98 2aby n GLN 82 CO 0.00 0.00 0.00 -0.92 -1.44 0.00 0.00 177.06 174.70 2aby h TYR 83 N -2.30 0.62 0.16 1.08 5.03 -1.98 -1.41 116.97 118.18 2aby h TYR 83 Ca -0.55 -0.07 -0.00 0.00 2.58 0.00 0.00 58.73 60.70 2aby h TYR 83 Cb 1.32 -0.18 -0.01 0.00 1.55 0.00 0.00 36.73 39.42 2aby h TYR 83 CO 0.30 0.59 -0.12 0.77 -1.32 0.00 0.00 178.16 178.38 2aby h SER 84 N 0.57 -0.32 0.29 -2.11 0.02 -1.98 0.35 113.55 110.36 2aby h SER 84 Ca 0.12 0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 61.01 2aby h SER 84 Cb 0.35 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 2aby h SER 84 CO 0.01 -0.20 -0.37 -0.08 -1.14 0.00 0.00 176.83 175.05 2aby h GLU 85 N -0.30 0.12 -0.29 3.45 4.57 -1.88 0.60 114.58 120.86 2aby h GLU 85 Ca -0.01 -0.05 -0.18 0.00 -1.18 0.00 0.00 59.36 57.94 2aby h GLU 85 Cb 0.26 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.85 2aby h GLU 85 CO -0.01 0.48 -0.52 1.25 -1.18 0.00 0.00 179.01 179.03 2aby h LEU 86 N 0.11 0.96 -0.08 1.64 7.12 -0.81 -1.21 115.31 123.03 2aby h LEU 86 Ca 0.01 -0.53 -0.10 0.00 0.13 0.00 0.00 57.88 57.39 2aby h LEU 86 Cb 0.71 -0.27 -0.01 0.00 -0.53 0.00 0.00 40.66 40.55 2aby h LEU 86 CO 0.05 1.31 -0.48 0.24 -0.13 0.00 0.00 178.44 179.43 2aby h MET 87 N 0.64 0.00 0.01 1.25 2.86 -0.15 -3.22 114.93 116.32 2aby h MET 87 Ca 0.02 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.61 2aby h MET 87 Cb 1.13 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.80 2aby h MET 87 CO 0.12 0.48 -0.20 1.15 1.06 0.00 0.00 176.91 179.52 2aby h THR 88 N 0.00 1.60 0.00 2.22 2.02 -0.82 0.39 112.91 118.32 2aby h THR 88 Ca -0.00 -2.02 0.00 0.00 0.77 0.00 0.00 66.41 65.16 2aby h THR 88 Cb 1.34 2.90 0.00 0.00 -1.74 0.00 0.00 68.15 70.65 2aby h THR 88 CO 0.06 0.54 0.00 1.17 0.37 0.00 0.00 175.52 177.67 2aby n LYS 89 N -4.54 0.04 -0.08 6.66 3.00 -0.46 0.13 118.16 122.91 2aby n LYS 89 Ca -0.10 0.44 -0.14 0.00 -0.00 0.00 0.00 58.31 58.51 2aby n LYS 89 Cb 0.50 -1.61 -0.07 0.00 0.00 0.00 0.00 35.03 33.85 2aby n LYS 89 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 2aby n TYR 90 N -1.69 0.00 0.57 5.64 9.36 -1.20 -3.65 117.16 126.18 2aby n TYR 90 Ca 0.01 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.36 2aby n TYR 90 Cb 0.08 -0.62 0.32 0.00 -0.63 0.00 0.00 39.34 38.50 2aby n TYR 90 CO 0.00 0.00 0.00 1.25 0.22 0.00 0.00 176.86 178.33 2aby h HIS 91 N -0.28 0.00 0.00 2.98 2.76 -0.02 -3.14 115.15 117.45 2aby h HIS 91 Ca -0.39 0.00 -0.26 0.00 -2.20 0.00 0.00 60.37 57.52 2aby h HIS 91 Cb 1.47 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 30.40 2aby h HIS 91 CO -0.02 0.00 -1.79 -3.47 -1.30 0.00 0.00 177.93 171.35 2aby n ASP 92 N -2.32 1.94 0.20 3.26 2.03 0.36 -4.38 116.55 117.64 2aby n ASP 92 Ca 0.05 0.36 0.18 0.00 0.52 0.00 0.00 54.79 55.90 2aby n ASP 92 Cb 0.44 -0.81 0.83 0.00 -0.72 0.00 0.00 41.12 40.87 2aby n ASP 92 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2aby h LEU 93 N -1.00 0.00 -0.49 -2.67 3.38 -1.62 0.28 115.31 113.19 2aby h LEU 93 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2aby h LEU 93 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 2aby h LEU 93 CO -0.24 0.00 0.00 2.29 0.09 0.00 0.00 178.44 180.58 2aby n LYS 94 N -3.62 0.09 -0.12 1.13 -0.00 -1.18 -0.11 118.16 114.35 2aby n LYS 94 Ca 0.02 0.42 -0.04 0.00 -0.00 0.00 0.00 58.31 58.71 2aby n LYS 94 Cb 0.39 -1.71 0.17 0.00 -0.00 0.00 0.00 35.03 33.88 2aby n LYS 94 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 2aby h LYS 95 N 0.00 0.81 0.00 -1.58 1.63 -0.67 -3.32 116.57 113.44 2aby h LYS 95 Ca 0.00 -0.20 -0.06 0.00 -0.85 0.00 0.00 60.65 59.54 2aby h LYS 95 Cb 0.20 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.71 2aby h LYS 95 CO 0.00 0.79 -1.30 1.04 -3.45 0.00 0.00 179.45 176.53 2aby n GLN 96 N -4.23 2.21 -0.82 1.90 1.13 -0.98 -5.06 117.38 111.52 2aby n GLN 96 Ca 0.03 -0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.07 2aby n GLN 96 Cb 0.28 -1.12 0.00 0.00 0.11 0.00 0.00 30.24 29.51 2aby n GLN 96 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2aby n GLY 97 N 2.54 3.14 3.53 1.08 0.00 0.84 -5.16 105.19 111.16 2aby n GLY 97 Ca -0.06 -2.11 -0.11 0.00 0.00 0.00 0.00 46.02 43.75 2aby n GLY 97 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2aby s LYS 98 N -0.33 1.64 -0.06 1.61 0.00 -1.26 -4.45 119.74 116.89 2aby s LYS 98 Ca 0.00 -1.43 -0.07 0.00 0.00 0.00 0.00 55.97 54.48 2aby s LYS 98 Cb 0.00 0.45 0.02 0.00 0.00 0.00 0.00 37.83 38.30 2aby s LYS 98 CO 0.00 -0.67 0.18 -1.50 0.00 0.00 0.00 175.35 173.36 2aby s ILE 99 N -3.71 0.02 -0.01 3.79 2.07 -1.26 -4.57 121.20 117.52 2aby s ILE 99 Ca 0.26 -0.14 0.06 0.00 -1.41 0.00 0.00 60.65 59.42 2aby s ILE 99 Cb -0.00 -0.31 -0.02 0.00 0.13 0.00 0.00 42.46 42.26 2aby s ILE 99 CO 0.12 -0.07 -0.19 -0.54 -1.91 0.00 0.00 174.94 172.35 2aby s LYS 100 N -0.20 1.49 -0.71 3.50 -0.14 -1.26 -5.07 119.74 117.35 2aby s LYS 100 Ca -0.03 -0.70 -0.14 0.00 -1.36 0.00 0.00 55.97 53.74 2aby s LYS 100 Cb -0.03 -1.46 0.18 0.00 -1.68 0.00 0.00 37.83 34.85 2aby s LYS 100 CO 0.01 0.40 0.65 0.34 -0.76 0.00 0.00 175.35 175.99 2aby s ASP 101 N -0.53 6.49 0.63 2.83 2.15 -1.26 -4.81 116.67 122.17 2aby s ASP 101 Ca 0.07 -2.37 -0.12 0.00 0.43 0.00 0.00 52.55 50.57 2aby s ASP 101 Cb -0.07 -2.19 -0.03 0.00 -0.30 0.00 0.00 42.92 40.33 2aby s ASP 101 CO -0.00 -0.67 1.04 -0.13 -0.17 0.00 0.00 175.17 175.24 2aby s ARG 102 N 0.68 3.38 0.20 4.34 1.81 -1.26 -5.01 118.95 123.09 2aby s ARG 102 Ca 0.12 0.88 -0.30 0.00 -1.72 0.00 0.00 55.73 54.72 2aby s ARG 102 Cb -0.18 -2.05 -0.09 0.00 -0.45 0.00 0.00 34.95 32.19 2aby s ARG 102 CO -0.04 -0.75 1.30 -1.25 -0.68 0.00 0.00 175.30 173.88 2aby s PRO 103 N -4.92 4.39 0.24 3.54 0.04 -1.26 -4.99 135.00 132.05 2aby s PRO 103 Ca 0.57 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 63.36 2aby s PRO 103 Cb -0.12 -3.19 -0.09 0.00 0.04 0.00 0.00 34.50 31.13 2aby s PRO 103 CO 0.50 -0.25 1.25 0.54 0.04 0.00 0.00 177.00 179.09 2aby s VAL 104 N 0.09 3.20 0.02 -0.36 0.11 -1.26 -4.91 120.40 117.29 2aby s VAL 104 Ca 0.56 1.07 -0.22 0.00 -2.93 0.00 0.00 61.98 60.47 2aby s VAL 104 Cb -0.36 -3.69 -0.05 0.00 -1.53 0.00 0.00 36.38 30.75 2aby s VAL 104 CO 0.38 0.20 0.66 -0.54 -3.33 0.00 0.00 175.10 172.47 2aby s LYS 105 N -0.75 4.38 0.20 1.54 -0.14 -0.78 -4.78 119.74 119.41 2aby s LYS 105 Ca 0.52 0.86 -0.30 0.00 -1.36 0.00 0.00 55.97 55.69 2aby s LYS 105 Cb -0.36 -3.35 -0.08 0.00 -1.68 0.00 0.00 37.83 32.36 2aby s LYS 105 CO 0.42 0.35 1.09 -1.21 -0.76 0.00 0.00 175.35 175.23 2aby s GLU 106 N -0.17 4.62 -0.07 1.68 0.41 -1.26 0.37 118.70 124.28 2aby s GLU 106 Ca 0.34 1.72 0.00 0.00 -0.41 0.00 0.00 54.97 56.62 2aby s GLU 106 Cb -0.19 -3.26 -0.03 0.00 -1.78 0.00 0.00 34.13 28.87 2aby s GLU 106 CO 0.19 0.13 -0.06 0.08 -0.49 0.00 0.00 175.26 175.12 2aby s VAL 107 N -0.49 3.82 0.49 2.63 1.01 -0.39 -4.87 120.40 122.59 2aby s VAL 107 Ca 0.48 -0.44 0.05 0.00 0.00 0.00 0.00 61.98 62.07 2aby s VAL 107 Cb -0.30 -2.57 -0.01 0.00 0.00 0.00 0.00 36.38 33.50 2aby s VAL 107 CO 0.36 0.60 0.22 -1.00 0.00 0.00 0.00 175.10 175.27 2aby s HIS 108 N -0.83 2.06 -0.25 5.22 3.76 -1.26 -3.96 115.29 120.02 2aby s HIS 108 Ca 0.13 -0.77 -0.29 0.00 -0.15 0.00 0.00 55.06 53.97 2aby s HIS 108 Cb -0.11 -1.86 0.01 0.00 1.11 0.00 0.00 32.58 31.73 2aby s HIS 108 CO 0.02 -0.05 1.07 -1.21 -0.85 0.00 0.00 174.74 173.71 2aby s GLU 109 N -4.04 4.20 0.00 1.40 8.01 -1.26 -4.92 118.70 122.10 2aby s GLU 109 Ca 0.29 1.30 0.00 0.00 0.01 0.00 0.00 54.97 56.57 2aby s GLU 109 Cb 0.01 -3.68 0.00 0.00 -4.31 0.00 0.00 34.13 26.15 2aby s GLU 109 CO 0.17 -0.72 0.00 0.39 0.01 0.00 0.00 175.26 175.11 2aby n GLU 110 N 6.50 -1.35 -3.86 1.61 1.02 -1.26 -5.08 120.64 118.22 2aby n GLU 110 Ca 0.12 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.95 2aby n GLU 110 Cb 0.46 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.76 2aby n GLU 110 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2aby s TYR 111 N -3.00 3.40 0.03 -0.32 1.51 -1.26 -4.87 117.35 112.83 2aby s TYR 111 Ca 0.00 -3.11 0.00 0.00 -1.01 0.00 0.00 57.07 52.95 2aby s TYR 111 Cb 0.00 -2.92 0.00 0.00 -0.11 0.00 0.00 41.96 38.93 2aby s TYR 111 CO 0.00 -0.71 0.00 -0.25 -1.11 0.00 0.00 175.55 173.48 2aby n ASP 112 N 2.82 0.15 -3.10 2.29 8.00 -1.26 -5.10 116.55 120.36 2aby n ASP 112 Ca 0.11 0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.65 2aby n ASP 112 Cb 0.34 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.41 2aby n ASP 112 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2aby n LEU 113 N -2.68 0.00 -0.25 0.64 -0.00 -1.26 -4.87 117.00 108.57 2aby n LEU 113 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 55.97 2aby n LEU 113 Cb 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 43.42 43.48 2aby n LEU 113 CO 0.00 -1.39 1.16 -0.50 -0.00 0.00 0.00 177.39 176.65 2aby h TRP 114 N -1.89 0.85 -6.56 1.47 -0.00 -2.00 -3.47 115.95 104.35 2aby h TRP 114 Ca 0.00 0.02 -0.42 0.00 -0.00 0.00 0.00 58.89 58.49 2aby h TRP 114 Cb 0.00 -0.28 0.00 0.00 -0.00 0.00 0.00 29.16 28.88 2aby h TRP 114 CO 0.00 0.51 -1.03 0.39 -0.00 0.00 0.00 178.44 178.32 2aby n GLU 115 N -4.63 -1.64 0.00 0.49 -0.58 -1.26 -4.72 120.64 108.30 2aby n GLU 115 Ca 0.07 1.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.81 2aby n GLU 115 Cb 0.05 -2.59 0.00 0.00 -0.57 0.00 0.00 31.44 28.33 2aby n GLU 115 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2aby n ASP 116 N -1.95 -0.02 0.02 1.62 8.00 -1.26 -4.92 116.55 118.03 2aby n ASP 116 Ca -0.23 0.47 -0.13 0.00 0.71 0.00 0.00 54.79 55.61 2aby n ASP 116 Cb 0.67 0.49 -0.09 0.00 -0.02 0.00 0.00 41.12 42.16 2aby n ASP 116 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2aby h PRO 117 N 0.00 -0.09 0.00 -0.24 0.13 -1.90 -2.26 132.00 127.63 2aby h PRO 117 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 2aby h PRO 117 Cb 0.00 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.15 2aby h PRO 117 CO 0.00 0.37 0.00 0.44 -0.23 0.00 0.00 178.00 178.58 2aby n ILE 118 N -4.90 0.54 0.11 -3.56 -0.00 -1.26 -0.08 119.36 110.21 2aby n ILE 118 Ca -0.08 -0.22 0.04 0.00 -0.00 0.00 0.00 62.75 62.49 2aby n ILE 118 Cb 0.25 -0.61 0.00 0.00 -0.00 0.00 0.00 39.64 39.28 2aby n ILE 118 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.55 176.30 2aby h TRP 119 N 0.00 0.00 0.00 4.28 2.91 -1.91 -3.45 115.95 117.79 2aby h TRP 119 Ca 0.00 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.02 2aby h TRP 119 Cb 0.68 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.33 2aby h TRP 119 CO 0.00 0.40 0.00 0.94 -1.03 0.00 0.00 178.44 178.75 2aby n GLN 120 N -3.03 0.00 -0.95 2.65 7.27 -0.86 -4.97 117.38 117.49 2aby n GLN 120 Ca -0.02 0.00 -0.34 0.00 0.07 0.00 0.00 57.00 56.71 2aby n GLN 120 Cb 0.72 -0.02 0.10 0.00 2.41 0.00 0.00 30.24 33.45 2aby n GLN 120 CO 0.00 0.00 0.00 0.98 0.07 0.00 0.00 177.06 178.11 2aby n TYR 121 N -3.31 -1.68 -0.31 3.69 9.36 0.89 -5.03 117.16 120.77 2aby n TYR 121 Ca 0.00 0.24 0.00 0.00 3.32 0.00 0.00 57.90 61.46 2aby n TYR 121 Cb 0.00 -1.78 0.00 0.00 -0.63 0.00 0.00 39.34 36.93 2aby n TYR 121 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19